NSC 740
  CML DOM 10282011372D

 33 35  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
   -5.9462   -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   -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
   -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
   -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
  -12.4413   -3.0000    0.0000 C   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
  -11.1423   -3.7500    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
  -13.7404   -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
  -20.2356   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.9365   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6375   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -7.5000    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
   -8.5442   -3.7500    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
  -16.3384   -5.2500    0.0000 N   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
   -3.3481   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6375   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.9365   -8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3384   -8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -21.5346   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.8336   -6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -21.5346   -3.7500    0.0000 O   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 10  2  0  0  0  0
  2  7  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  8  2  0  0  0  0
  4  5  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
 10 23  1  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
 13 22  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 19 25  1  0  0  0  0
 19 28  1  6  0  0  0
 20 21  2  0  0  0  0
 20 25  1  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
 28 30  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
M  END
>  <NSC>
740

>  <CAS>
59-05-2

>  <PubChem SID>
67627

>  <Molecular Formula>
C20H22N8O5

>  <Molecular Weight>
454

>  <Chemical Names>
Methotrexate
Trexall
Abitrexate
Mexate
Folex
Amethopterin
MTX
HDMTX
Methylaminopterin
Metatrexan

$$$$
NSC 750
  CML DOM 10282011382D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -4.5386   -0.4624    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8230   -1.2372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7637   -1.7468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2542    0.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9410   -0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6566    0.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6566   -0.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9410    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -0.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5386    0.4624    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7637    1.7468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3134   -0.8220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8230    1.2372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3134    0.8220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1 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
  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  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <NSC>
750

>  <CAS>
55-98-1

>  <PubChem SID>
67633

>  <Molecular Formula>
C6H14O6S2

>  <Molecular Weight>
246

>  <Chemical Names>
Busulfan
Myleran
Busulfex
1,4-Dimethylsulfonoxybutane
1,4-Butanediol dimethylsulfonate
GT 41
X 149
Mablin
NSC-750
NSC 750

$$$$
NSC 752
  CML DOM 10282011382D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -2.2123   -5.5193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2816   -7.2577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6721   -2.9780    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1820   -8.6843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4721   -2.3347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4721   -3.8347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2221   -6.1430    0.0000 N   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
    0.2586   -4.7164    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
    2.6857   -4.7164    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
   -2.7525   -8.0606    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 10  1  0  0  0  0
  2 12  1  0  0  0  0
  2  4  1  0  0  0  0
  3  8  2  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
 12 13  1  0  0  0  0
M  END
>  <NSC>
752

>  <CAS>
154-42-7

>  <PubChem SID>
538243

>  <Molecular Formula>
C5H5N5S

>  <Molecular Weight>
167

>  <Chemical Names>
Thioguanine
6-Thioguanine
Lanvis
Tioguanine
6-Mercaptoguanine
2-Aminopurine-6-thiol
2-Amino-6-mercaptopurine
Tioguanin
TG
2-Amino-6-purinethiol

$$$$
NSC 755
  CML DOM 10282011382D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.2292   -4.6857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3110   -2.1444    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7015   -6.4242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1650   -7.8507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4552   -3.0012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4552   -1.5012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2052   -5.3094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7745   -3.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -3.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7052   -5.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6688   -3.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2343   -6.1123    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  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
M  END
>  <NSC>
755

>  <CAS>
50-44-2

>  <PubChem SID>
538245

>  <Molecular Formula>
C5H4N4S

>  <Molecular Weight>
152

>  <Chemical Names>
Mercaptopurine
6-Purinethiol
6-Mercaptopurine
6-Thiopurine
Purinethol
6-MP
3H-Purine-6-thiol
Purine, 6-mercapto-
7-Mercapto-1,3,4,6-tetrazaindene
Ismipur

$$$$
NSC 762
  CML DOM 10282011382D

  9  7  0  0  0  0  0  0  0  0999 V2000
   -8.5442   -3.0000    0.0000 Cl  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
   -5.9461   -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
   -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 Cl  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   -4.5000    0.0000 Cl  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
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <NSC>
762

>  <CAS>
55-86-7

>  <PubChem SID>
538248

>  <Molecular Formula>
C5H11Cl2N.ClH

>  <Molecular Weight>
193

>  <Chemical Names>
Mechlorethamine hydrochloride
Mustargen hydrochloride
HN2
Nitrogen mustard hydrochloride
Dichloromethyldiethylamine hydrochloride
Bis(2-chloroethyl)methylamine hydrochloride
HN2 hydrochloride
Methyldi(2-chloroethyl)amine hydrochloride
Di(2-chloroethyl)methylamine hydrochloride
Methylbis(2-chloroethyl)amine hydrochloride

$$$$
NSC 1390
  CML DOM 10282011382D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -2.6791   -2.4128    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6791   -6.9128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9282   -3.9128    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3801   -3.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3800   -4.6628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6791   -5.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0465   -5.1263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9781   -3.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0465   -2.6993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9781   -4.6628    0.0000 N   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  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  9  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
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <NSC>
1390

>  <CAS>
315-30-0

>  <PubChem SID>
68199

>  <Molecular Formula>
C5H4N4O

>  <Molecular Weight>
136

>  <Chemical Names>
Allopurinol
Lopurin
4-HPP
HPP
4-Hydroxypyrazolo[3,4-d]pyrimidine
4-Hydroxy-1H-pyrazolo[3,4-d]pyrimidine
1H-Pyrazolo[3,4-d]pyrimidin-4-ol
Uripurinol
4-Hydroxy-3,4-pyrazolopyrimidine
4-Hydroxypyrazolyl[3,4-d]pyrimidine

$$$$
NSC 3053
  CML DOM 10282011382D

 90 96  0  0  0  0  0  0  0  0999 V2000
  -13.3972  -19.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6471  -18.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5829   -7.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0248   -7.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7441   -8.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.1148  -12.7056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6472  -21.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1472  -23.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1471  -18.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8972  -22.4572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3972  -19.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6472  -23.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1472  -21.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1472  -21.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8972  -22.4572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2162  -16.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0772   -9.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0671  -15.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9976  -11.8033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.1843  -16.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.8544  -14.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.2262  -10.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3276  -13.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4071  -11.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7748  -16.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8485  -10.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.3334  -17.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3971  -17.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8971  -19.8591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -17.9658  -11.7414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -17.4448  -14.6959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6676   -9.8131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8972  -25.0553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -20.0034  -15.1470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.6358   -9.7512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1785  -12.8294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5562  -12.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5143  -18.1633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8971  -17.2611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3972  -22.4572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6257  -15.7219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8972  -25.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3972  -22.4572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9557  -17.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.0730  -18.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.7430  -16.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2958  -13.7317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1090   -9.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4390  -11.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5562  -12.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3972  -22.4572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6576  -15.7838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7269  -16.4666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5701  -14.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3566  -17.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1029  -12.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6472  -21.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3971  -17.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1029  -14.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6472  -18.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1029  -17.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6471  -13.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3971  -12.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3529  -13.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1471  -18.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8529  -15.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3971  -14.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8529  -18.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3971  -12.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8972  -19.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8529  -13.3640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1471  -13.3640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3529  -15.9620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1471  -10.7659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1029  -12.0649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3972  -19.8592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1029  -14.6630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8971  -14.6630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6471  -18.5601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6471  -15.9620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8971  -17.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8971  -12.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6471  -10.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3971  -14.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3528  -18.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1028  -19.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1029  -14.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7371  -13.2805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3971  -17.2611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3972  -19.8592    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  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4 17  1  0  0  0  0
  5 32  1  0  0  0  0
  6 21  1  0  0  0  0
  6 30  1  0  0  0  0
  7 13  2  0  0  0  0
  7 43  1  0  0  0  0
  8 12  1  0  0  0  0
  8 15  2  0  0  0  0
  8 42  1  0  0  0  0
  9 11  2  0  0  0  0
  9 28  1  0  0  0  0
 10 12  1  0  0  0  0
 10 51  1  0  0  0  0
 10 57  2  0  0  0  0
 11 13  1  0  0  0  0
 11 29  1  0  0  0  0
 12 33  2  0  0  0  0
 13 40  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  2  0  0  0  0
 14 57  1  0  0  0  0
 15 40  1  0  0  0  0
 16 18  1  0  0  0  0
 16 41  1  0  0  0  0
 16 44  1  6  0  0  0
 17 22  1  6  0  0  0
 17 32  1  0  0  0  0
 18 23  1  0  0  0  0
 18 52  1  1  0  0  0
 19 24  1  0  0  0  0
 19 26  1  1  0  0  0
 19 88  1  0  0  0  0
 20 25  1  0  0  0  0
 20 27  1  6  0  0  0
 20 31  1  0  0  0  0
 21 31  1  0  0  0  0
 21 34  2  0  0  0  0
 22 30  1  0  0  0  0
 22 35  2  0  0  0  0
 23 36  2  0  0  0  0
 23 88  1  0  0  0  0
 24 32  1  0  0  0  0
 24 37  2  0  0  0  0
 25 38  2  0  0  0  0
 25 41  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 28 39  2  0  0  0  0
 28 52  1  0  0  0  0
 30 50  1  0  0  0  0
 31 47  1  0  0  0  0
 53 54  1  0  0  0  0
 53 55  1  0  0  0  0
 54 59  1  0  0  0  0
 55 73  1  0  0  0  0
 56 63  1  0  0  0  0
 56 71  1  0  0  0  0
 57 70  1  0  0  0  0
 58 60  1  0  0  0  0
 58 80  1  0  0  0  0
 58 81  1  6  0  0  0
 59 64  1  6  0  0  0
 59 73  1  0  0  0  0
 60 65  1  0  0  0  0
 60 90  1  1  0  0  0
 61 66  1  0  0  0  0
 61 68  1  1  0  0  0
 61 89  1  0  0  0  0
 62 67  1  0  0  0  0
 62 69  1  6  0  0  0
 62 72  1  0  0  0  0
 63 72  1  0  0  0  0
 63 74  2  0  0  0  0
 64 71  1  0  0  0  0
 64 75  2  0  0  0  0
 65 76  2  0  0  0  0
 65 89  1  0  0  0  0
 66 73  1  0  0  0  0
 66 77  2  0  0  0  0
 67 78  2  0  0  0  0
 67 80  1  0  0  0  0
 68 85  1  0  0  0  0
 68 86  1  0  0  0  0
 69 82  1  0  0  0  0
 69 83  1  0  0  0  0
 70 79  2  0  0  0  0
 70 90  1  0  0  0  0
 71 87  1  0  0  0  0
 72 84  1  0  0  0  0
M  END
>  <NSC>
3053

>  <CAS>
50-76-0

>  <PubChem SID>
538571

>  <Molecular Formula>
C62H86N12O16

>  <Molecular Weight>
1255

>  <Chemical Names>
Dactinomycin
Cosmegen
Actinomycin D
Antibiotic from Streptomyces parvullus
Oncostatin K
Actinomycin 7
Meractinomycin
Actinomycin IV
Dactinomycin D
Lyovac cosmegen

$$$$
NSC 3088
  CML DOM 10282011382D

 19 19  0  0  0  0  0  0  0  0999 V2000
   -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
   -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 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
   -3.5221   -8.8995    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
    0.3750   -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
    2.9731   -6.6495    0.0000 Cl  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 Cl  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
   -8.7182   -8.8995    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
  -11.3163   -8.8996    0.0000 O   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
  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
  5 14  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
 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  2  0  0  0  0
M  END
>  <NSC>
3088

>  <CAS>
305-03-3

>  <PubChem SID>
69624

>  <Molecular Formula>
C14H19Cl2NO2

>  <Molecular Weight>
304

>  <Chemical Names>
Chlorambucil
Leukeran
Ambochlorin
Phenylbutyric acid nitrogen mustard
4-[Bis(2-chloroethyl)amino]phenylbutyric acid
p-(N,N-Di-2-chloroethyl)aminophenyl butyric acid
CB 1348
Elcoril
Ecloril
Cb l348

$$$$
NSC 6396
  CML DOM 10282011382D

 11 13  0  0  0  0  0  0  0  0999 V2000
   -5.4265   -2.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1275   -2.7990    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3775   -1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8775   -4.0981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8285   -3.5490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3285   -3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0785   -4.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1765   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9265   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8775   -5.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1765   -4.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  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 10  1  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
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <NSC>
6396

>  <CAS>
52-24-4

>  <PubChem SID>
72371, 121286611

>  <Molecular Formula>
C6H12N3PS

>  <Molecular Weight>
189

>  <Chemical Names>
Thiotepa
Thioplex
Triethylene thiophosphoramide
Thiophosphamide
TSPA
Triethylenethiophosphoramide
Tris(ethylenimino)thiophosphate
Thiotriethylenephosphoramide
Thio-tepa
Triaziridinylphosphine sulfide

$$$$
NSC 8806
  CML DOM 10282011382D

 20 19  0  0  0  0  0  0  0  0999 V2000
   -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
   -4.1716   -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
   -4.1716   -4.7745    0.0000 C   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
   -1.5735   -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
    2.3236   -5.5245    0.0000 Cl  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 Cl  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
   -8.0687   -5.5245    0.0000 N   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
  -10.6668   -7.0245    0.0000 O   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
   -2.1226   -9.8236    0.0000 Cl  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 14  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
  7  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
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <NSC>
8806

>  <CAS>
3223-07-2

>  <PubChem SID>
301128

>  <Molecular Formula>
C13H18Cl2N2O2.ClH

>  <Molecular Weight>
342

>  <Chemical Names>
Melphalan
Alkeran
Phenylalanine mustard hydrochloride
Melphalan hydrochloride
L-PAM
Alanine Nitrogen Mustard
L-Phenylalanine Mustard hydrochloride
L-Sarcolysine hydrochloride
L-Alanine, 3-(p-[bis(2-chloroethyl)amino]phenyl)-, hydrochloride
CB 3025

$$$$
NSC 9706
  CML DOM 10282011382D

 15 18  0  0  0  0  0  0  0  0999 V2000
    3.2502   -1.5313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5492   -3.7813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8482   -1.5313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8482   -6.0313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1473   -3.7813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4463   -1.5313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1963   -0.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9463   -1.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5001   -0.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7502   -1.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1473   -2.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5492   -2.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8482   -4.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5982   -7.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0982   -7.3304    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 12  1  0  0  0  0
  2 12  2  0  0  0  0
  2 13  1  0  0  0  0
  3 11  2  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 13  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
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
9706

>  <CAS>
51-18-3

>  <PubChem SID>
75085

>  <Molecular Formula>
C9H12N6

>  <Molecular Weight>
204

>  <Chemical Names>
Triethylenemelamine
Tretamine
TET
Triaziridinyl triazine
Melamine, triethylene-
Triethanomelamine
2,4,6-Tris(1-aziridinyl)-s-triazine
Tretamin
Triamelin
Tem-Simes

$$$$
NSC 13875
  CML DOM 10282011382D

 15 15  0  0  0  0  0  0  0  0999 V2000
    7.5104   -0.4701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8094    1.7799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1085   -0.4701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1085    1.0299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5104    1.0299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8094   -1.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2113    1.7799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9123    1.0299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2113    3.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8094   -2.7201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5104   -3.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1085   -3.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4075    1.7799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7065    1.0299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4075    3.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  4  1  0  0  0  0
  4 13  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
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <NSC>
13875

>  <CAS>
645-05-6

>  <PubChem SID>
78208

>  <Molecular Formula>
C9H18N6

>  <Molecular Weight>
210

>  <Chemical Names>
Altretamine
Hexalen
Hemel
Hexamethylmelamine
2,4,6-Tris(dimethylamino)-s-triazine
s-Triazine, 2,4,6-tris(dimethylamino)-
2,4,6-Tris(dimethylamino)-1,3,5-triazine
Hexastat
ENT 50852
NSC 13875

$$$$
NSC 18509
  CML DOM 10282011382D

 10  8  0  0  0  0  0  0  0  0999 V2000
   -5.9462   -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 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
   -0.7500   -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
   -8.5442   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -6.0000    0.0000 Cl  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
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
>  <NSC>
18509

>  <CAS>
5451-09-2

>  <PubChem SID>
541468

>  <Molecular Formula>
C5H9NO3.ClH

>  <Molecular Weight>
168

>  <Chemical Names>
Aminolevulinic acid hydrochloride
Levulan
Aminolevulinic acid
5-Aminolevulinate hydrochloride
.delta.-Aminolevulinic acid hydrochloride
Pentanoic acid, 5-amino-4-oxo-, hydrochloride
Levulinic acid, 5-amino-, hydrochloride

$$$$
NSC 19893
  CML DOM 10282011382D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -4.8211   -5.1495    0.0000 F   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   -2.1495    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
   -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   -5.1495    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
   -2.2231   -2.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  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
M  END
>  <NSC>
19893

>  <CAS>
51-21-8

>  <PubChem SID>
82653

>  <Molecular Formula>
C4H3FN2O2

>  <Molecular Weight>
130

>  <Chemical Names>
Fluorouracil
Efudex
5-FU
5-Fluorouracil
Adrucil
5-Fluoro-2,4-pyrimidinedione
5-Fluoropyrimidine-2,4-dione
5-Fluoro-2,4(1H,3H)-pyrimidinedione
Uracil, 5-fluoro-
Effluderm (free base)

$$$$
NSC 24559
  CML DOM 10282011382D

 77 84  0  0  0  0  0  0  0  0999 V2000
   11.4168   -1.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7159   -1.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0149   -1.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0149    0.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7158    1.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4168    0.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3139   -1.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6130   -1.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6130    0.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3139    1.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9120   -1.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2111   -1.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2111    0.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9120    1.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9120   -3.4754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3140   -3.4754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7159   -3.4754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6883    0.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6525    1.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1297    0.9027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0939    2.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1394    2.5727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5808    3.4613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5711    1.7913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6427   -0.5068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2013   -1.3954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6785   -1.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5101   -1.9754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0493    1.6414    0.0000 O   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
   19.7241    1.6841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2496   -3.4526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3987   -4.4168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1382   -5.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7287   -6.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5796   -5.4429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8401   -3.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1382   -5.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5478   -5.3810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6968   -6.3452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4364   -7.8224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0268   -8.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8778   -7.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8465   -5.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1069   -3.6017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5165   -3.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6655   -4.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4051   -5.5301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9955   -6.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7503    0.8914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4512    1.6414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1522    0.8914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1522   -0.6086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4512   -1.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7503   -0.6086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7116    5.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5626    6.0651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8230    7.5423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2326    8.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3817    7.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1212    5.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4512    3.6237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9721    6.5781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6740    8.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8531    1.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8532   -1.3586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9892   -4.9298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3785   -6.3412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2873   -6.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1064   -5.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7770   -1.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2560   -4.5659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4931    9.5325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4682   -7.8843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5854   -8.7866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.0751   -3.5398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.5541   -6.4943    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
  1 30  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
  3  7  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 29  1  0  0  0  0
  7  8  2  0  0  0  0
  7 16  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
  9 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  2  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  6  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 13 31  1  6  0  0  0
 18 19  1  0  0  0  0
 18 26  1  1  0  0  0
 19 20  1  0  0  0  0
 19 22  2  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  6  0  0  0
 21 23  1  0  0  0  0
 21 24  1  1  0  0  0
 26 27  1  0  0  0  0
 28 32  1  0  0  0  0
 29 50  1  0  0  0  0
 32 33  1  0  0  0  0
 32 37  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 69  1  0  0  0  0
 35 36  1  0  0  0  0
 35 74  1  0  0  0  0
 36 37  1  0  0  0  0
 36 67  1  0  0  0  0
 38 39  1  0  0  0  0
 38 43  1  0  0  0  0
 38 67  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 70  1  0  0  0  0
 41 42  1  0  0  0  0
 41 75  1  0  0  0  0
 42 43  1  0  0  0  0
 42 68  1  0  0  0  0
 44 45  1  0  0  0  0
 44 49  1  0  0  0  0
 44 68  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 71  1  0  0  0  0
 47 48  1  0  0  0  0
 47 76  1  0  0  0  0
 48 49  1  0  0  0  0
 48 72  1  0  0  0  0
 48 77  1  0  0  0  0
 50 51  1  0  0  0  0
 50 55  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 52 65  1  0  0  0  0
 53 54  1  0  0  0  0
 53 66  1  0  0  0  0
 54 55  1  0  0  0  0
 54 62  1  0  0  0  0
 56 57  1  0  0  0  0
 56 61  1  0  0  0  0
 56 62  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 58 64  1  0  0  0  0
 59 60  1  0  0  0  0
 59 73  1  0  0  0  0
 60 61  1  0  0  0  0
 60 63  1  0  0  0  0
M  END
>  <NSC>
24559

>  <CAS>
18378-89-7

>  <PubChem SID>
85982

>  <Molecular Formula>
C52H76O24

>  <Molecular Weight>
1085

>  <Chemical Names>
Plicamycin
Mithramycin
Mithracin
Aurelic acid
Mithramycin A
Aureolic acid
Antibiotic LA 7017
1(2H)-Anthracenone, 6-[[2,6-dideoxy-3-O-(2,6-dideoxy-.beta.-D-arabino-hexo pyranosyl)-.beta.-D-arabino-hexopyranosyl]oxy]-2-[(O-2,6- dideoxy-3-C-methyl-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4) -O-2,6-dideoxy-.alpha.-D-lyxo-hexopyranosyl-(1.fwdarw.3) -2,6-dideoxy-.beta.-D-arabino-hexopyranosyl)oxy]-3-(3,4- dihydroxy-1-methoxy-2-oxopentyl)-3,4-dihydro-8,9-dihydroxy- 7-methyl-, [2S-[2.alpha.,3.beta.(1R*,3R*,4S*)]]-
PA-144
A-2371

$$$$
NSC 25154
  CML DOM 10282011382D

 16 16  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
    4.1716    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
    5.4707    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1717    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3235    5.5245    0.0000 Br  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 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    9.2745    0.0000 O   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
   10.6668    7.0245    0.0000 Br  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
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  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
 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>
25154

>  <CAS>
54-91-1

>  <PubChem SID>
86412

>  <Molecular Formula>
C10H16Br2N2O2

>  <Molecular Weight>
356

>  <Chemical Names>
Pipobroman
Amedel
Vercyte
1,4-Bis(3-bromopropionyl)piperazine
N,N'-Bis(3-bromopropionyl)piperazine
A 1803
A-8103
NSC-25154
WLN: T6N DNTJ AV2E DV2E
Piperazine, 1,4-bis(3-bromo-1-oxopropyl)-

$$$$
NSC 26271
  CML DOM 10282011382D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.7941    5.1766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7057    5.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4325    3.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6595    2.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4121    6.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5438    7.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2572    8.8047    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6988    4.8756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1172    4.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2490    5.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6674    4.8842    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5670    3.8911    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.7330    2.9475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8402    2.5790    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
  2  3  1  0  0  0  0
  3  4  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
  8 12  1  0  0  0  0
  9 10  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
M  END
>  <NSC>
26271

>  <CAS>
50-18-0

>  <PubChem SID>
87150

>  <Molecular Formula>
C7H15Cl2N2O2P

>  <Molecular Weight>
261

>  <Chemical Names>
Cyclophosphamide
Cytoxan
Neosar
Bis(2-chloroethyl)phosphoramide cyclic propanolamide ester
Mitoxan
Enduxan
Endoxan
Genoxal
Procytox
(-)-Cyclophosphamide

$$$$
NSC 26980
  CML DOM 10282011382D

 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   10.2482    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    9.4982    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
    6.3543    9.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3543   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   12.4982    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
    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
    6.9644    8.5914    0.0000 H   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
   -1.2776    7.9982    0.0000 N   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  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  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 20  1  1  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 10 23  1  1  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 11 22  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 24  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <NSC>
26980

>  <CAS>
50-07-7

>  <PubChem SID>
87663, 92763399

>  <Molecular Formula>
C15H18N4O5

>  <Molecular Weight>
334

>  <Chemical Names>
Mitomycin
Mitomycin C
Mutamycin
7-Amino-9.alpha.-methoxymitosane
Ametycine
Mitomycinum
MMC
Mit-C
Mito-C
Ametycin

$$$$
NSC 27640
  CML DOM 10282011382D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -5.9462   10.1421    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5616    4.7604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   11.6421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    7.1421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    7.1421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   10.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    9.3921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    7.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    7.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    5.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1345    4.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    3.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0981    3.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7164    2.1203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    9.3921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9797    2.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3696    0.7500    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
  2 13  1  0  0  0  0
  3  6  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  9  2  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
  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
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
27640

>  <CAS>
50-91-9

>  <PubChem SID>
88034

>  <Molecular Formula>
C9H11FN2O5

>  <Molecular Weight>
246

>  <Chemical Names>
Floxuridine
FUDR
5-FUDR
FdUrd
5-Fluorodeoxyuridine
5-Fluoro-2'-deoxyuridine
Fluorodeoxyuridine
Deoxyfluorouridine
2'-Deoxy-5-fluorouridine
Fluoruridine deoxyribose

$$$$
NSC 32065
  CML DOM 10282011382D

  5  4  0  0  0  0  0  0  0  0999 V2000
    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 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
    4.6471    1.5000    0.0000 O   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
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
>  <NSC>
32065

>  <CAS>
127-07-1

>  <PubChem SID>
90752

>  <Molecular Formula>
CH4N2O2

>  <Molecular Weight>
76

>  <Chemical Names>
Hydroxyurea
Hydroxycarbamide
Hydrea
Hydroxylamine, N-carbamoyl-
Hydroxylamine, N-(aminocarbonyl)-
N-Carbamoylhydroxylamine
N-Hydroxyurea
Hydroxyurea(d4)
Carbamoyl oxime
Hydroxyurea (D4)

$$$$
NSC 34462
  CML DOM 10282011382D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -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
   -0.7500   -0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -3.3481    0.0000 N   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 Cl  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
   -8.2500   -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
   -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 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500   -3.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -2.0491    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
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 14  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
M  END
>  <NSC>
34462

>  <CAS>
66-75-1

>  <PubChem SID>
92079

>  <Molecular Formula>
C8H11Cl2N3O2

>  <Molecular Weight>
252

>  <Chemical Names>
Uracil mustard
Uramustine
Uracil nitrogen mustard
Aminouracil mustard
5-[Di(2-chloroethyl)amino]uracil
Nordopan
5-[Bis(2-chloroethyl)amino]uracil
Uramustin
5-[Di(.beta.-chloroethyl)amino]uracil
2,6-Dihydroxy-5-bis[2-chloroethyl]aminopyrimidine

$$$$
NSC 38721
  CML DOM 10282011382D

 18 19  0  0  0  0  0  0  0  0999 V2000
    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
    5.9462    6.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    6.0000    0.0000 Cl  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    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
    7.2452    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
    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
    4.6471    0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    0.7500    0.0000 Cl  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 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  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 18  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 16  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 17  1  0  0  0  0
M  END
>  <NSC>
38721

>  <CAS>
53-19-0

>  <PubChem SID>
94579

>  <Molecular Formula>
C14H10Cl4

>  <Molecular Weight>
320

>  <Chemical Names>
Mitotane
Lysodren
o,p'-DDD
2,4'-Dichlorodiphenyldichloroethane
o,p'-Dichlorodiphenyldichloroethane
Chloditan
Mitotan
o,p'-TDE
2,4'-DDD
(o,p)-DDD

$$$$
NSC 45388
  CML DOM 10282011382D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -3.5153   -0.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0518   -2.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5518   -2.3490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0883   -0.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3018   -0.0407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9335   -3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4253   -3.4057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3234   -4.9328    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9419   -0.4589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0566   -1.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4832   -0.9990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5979   -2.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7951    0.4682    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
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  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
  9 10  2  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>
45388

>  <CAS>
4342-03-4

>  <PubChem SID>
99125

>  <Molecular Formula>
C6H10N6O

>  <Molecular Weight>
182

>  <Chemical Names>
Dacarbazine
DTIC-Dome
DTIC
Imidazole carboxamide
4-(Dimethyltriazeno)imidazole-5-carboxamide
Di-me-triazenoimidazolecarboxamide
Dimethyltriazenoimidazolecarboxamide
(Dimethyltriazeno)imidazolecarboxamide
5-(Dimethyltriazeno)imidazole-4-carboxamide
5-(Dimethyltriazeno)imidazole-4-carboximide

$$$$
NSC 45923
  CML DOM 10282011382D

 16 18  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
    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
    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 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
    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
    8.6718    1.0365    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
    8.6718    3.4635    0.0000 O   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
    5.9462    5.2500    0.0000 O   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
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 14  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  7  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
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
45923

>  <CAS>
298-81-7

>  <PubChem SID>
99459

>  <Molecular Formula>
C12H8O4

>  <Molecular Weight>
216

>  <Chemical Names>
Methoxsalen
8-MOP
Methoxa-Dome
8-Methoxypsoralen
Oxsoralen
8-Methoxy-2',3',6,7-furocoumarin
8-Methoxypsoralene
Puvalen
Ammodin
Oxoralen

$$$$
NSC 49842
  CML DOM 10282011382D

 67 74  0  0  0  0  0  0  0  0999 V2000
   11.8434    2.3419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4053    0.9512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2883   -3.1672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1439    6.3441    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5581   -4.1954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0139    1.0464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0139   -1.9536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9242    7.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5853    6.5410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5644    5.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6915    4.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7962    2.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1444    1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3879    2.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6211    6.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3253    5.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2833    4.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6741    4.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1871    6.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6643    6.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6383    3.6140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6285    5.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1155    3.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3130    1.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6120    1.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6120   -0.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3129   -1.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0139   -0.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4042    1.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6542   -0.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7149   -1.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3129   -2.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7149   -2.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2883   -0.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6781    0.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1864    0.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4066   -1.9536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3047   -0.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0139   -3.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9148   -1.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9351    4.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8083   -0.5312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1508   -1.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8247   -4.5938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0497   -4.6027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1014    6.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1697    7.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1318    7.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6120   -3.4537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9795   -2.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2785   -2.8368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9795   -0.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6120   -1.9536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9110   -1.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4503    6.7814    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.9503    6.7814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4503    8.2814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9503    6.7814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4503    5.2814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6889    1.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2755    0.0612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6469    2.5822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1915    2.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9781   -4.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4553   -4.3423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0431   -7.1716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5659   -7.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 21  1  0  0  0  0
  1  2  1  0  0  0  0
  3 33  1  0  0  0  0
  3 37  1  0  0  0  0
  3 44  1  0  0  0  0
 41  4  1  6  0  0  0
  4  8  1  0  0  0  0
  4 15  1  0  0  0  0
 33  5  1  1  0  0  0
  6 24  1  0  0  0  0
  6 29  1  0  0  0  0
  6 28  1  0  0  0  0
 28  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 46  1  0  0  0  0
  9 48  1  6  0  0  0
 10 11  1  0  0  0  0
 11 41  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 36  1  1  0  0  0
 13 14  1  0  0  0  0
 13 60  1  0  0  0  0
 14 17  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 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 23  1  0  0  0  0
 22 23  2  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  1  0  0  0  0
 27 32  1  0  0  0  0
 27 53  1  6  0  0  0
 28 31  1  0  0  0  0
 29 30  1  0  0  0  0
 31 30  1  1  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 32 39  1  0  0  0  0
 32 49  1  1  0  0  0
 33 39  1  0  0  0  0
 34 37  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 38  1  0  0  0  0
 37 40  1  0  0  0  0
 38 40  2  0  0  0  0
 38 42  1  0  0  0  0
 39 45  1  1  0  0  0
 39 64  1  0  0  0  0
 42 43  1  0  0  0  0
 46 47  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  2  0  0  0  0
 50 52  1  0  0  0  0
 53 54  1  0  0  0  0
 55 56  2  0  0  0  0
 55 57  1  0  0  0  0
 55 58  2  0  0  0  0
 55 59  1  0  0  0  0
 60 61  2  0  0  0  0
 60 62  1  0  0  0  0
 62 63  1  0  0  0  0
 64 65  2  0  0  0  0
 64 66  1  0  0  0  0
 66 67  1  0  0  0  0
M  END
>  <NSC>
49842

>  <CAS>
143-67-9

>  <PubChem SID>
101900

>  <Molecular Formula>
C46H58N4O9.H2O4S

>  <Molecular Weight>
909

>  <Chemical Names>
Vinblastine sulfate
Vinblastine Sulfate Hydrate
Vinblastine
Velban
Vincaleukoblastine sulfate (1:1) (salt)
Belvan, VLB
VLB monosulfate
Exal
Velbe
Vincaleucoblastine sulfate

$$$$
NSC 63878
  CML DOM 10282011382D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -1.4731   -0.7769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4866    1.0409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4813    2.7056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9257    0.1459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5201    3.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0422    3.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4745    2.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9645    1.2975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0301   -0.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8054   -1.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1213   -2.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5294   -2.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6745   -4.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7752   -3.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2884   -4.2356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6936   -1.5567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0369    5.2654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7793    1.2316    0.0000 Cl  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  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  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 17  1  0  0  0  0
  6  7  2  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 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
63878

>  <CAS>
69-74-9

>  <PubChem SID>
549052, 99355719

>  <Molecular Formula>
C9H13N3O5.ClH

>  <Molecular Weight>
280

>  <Chemical Names>
Cytarabine hydrochloride
Cytosar-U
Cytosine arabinoside hydrochloride
Ara-C
1.beta.-D-Arabinofuranosylcytosine hydrochloride
Arabinosyl cytosine hydrochloride
Cytosar hydrochloride
Aracytin hydrochloride
Arabinosylcytosine hydrochloride
Aracytidine hydrochloride

$$$$
NSC 66847
  CML DOM 10282011382D

 19 21  0  0  0  0  0  0  0  0999 V2000
  -11.6563   -2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6563   -4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3573   -4.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0583   -4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0583   -2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3573   -1.8901    0.0000 C   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
   -6.7500   -3.3901    0.0000 N   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
   -5.2500   -3.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -4.6892    0.0000 C   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   -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
   -7.1681   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1681   -6.0302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -5.9882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -4.6892    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  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 17  2  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
66847

>  <CAS>
50-35-1

>  <PubChem SID>
111716

>  <Molecular Formula>
C13H10N2O4

>  <Molecular Weight>
258

>  <Chemical Names>
Thalidomide
Kevadon
Thalomid
N-Phthaloylglutamimide
N-Phthalylglutamic acid imide
Neo
K-17
E-217
Sedin
Nibrol

$$$$
NSC 67574
  CML DOM 10282011382D

 67 74  0  0  0  0  0  0  0  0999 V2000
    9.9956  -10.7301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4051   -3.1671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2654  -11.7584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7212   -6.5166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7212   -9.5166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0391   -3.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9554   -5.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2438   -6.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6918   -5.5869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0400   -6.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2835   -5.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1789   -3.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9181   -1.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4172   -1.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8307   -3.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0395   -1.7664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0753   -0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5883    0.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -1.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0297   -0.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0202   -5.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3193   -6.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3193   -8.0166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0202   -8.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7212   -8.0166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1115   -6.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3615   -7.7060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4221   -8.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0202  -10.2666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4221  -10.2666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9955   -8.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3854   -6.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8936   -6.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1139   -9.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0120   -7.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7212  -11.0166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6221   -9.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5871   -4.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202   -7.8327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6385   -9.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7570  -12.1657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4032   -6.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0807   -6.8982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4904   -4.9623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3193   -9.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6183   -8.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3193  -11.0166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6868   -9.6497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6868   -8.1497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9858  -10.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1119   -1.9007    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.4109   -2.6507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8619   -0.6017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8129   -1.1507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3619   -3.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6854  -12.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1626  -11.9052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1723  -13.5752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6951  -13.8357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7390   -5.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7810   -6.1218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4925   -2.4149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9479   -2.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2209   -2.8303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5320  -12.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0648  -12.4686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
  1 35  1  0  0  0  0
  1 66  1  0  0  0  0
 39  2  1  6  0  0  0
  2  6  1  0  0  0  0
  2 13  1  0  0  0  0
 31  3  1  1  0  0  0
  4 22  1  0  0  0  0
  4 27  1  0  0  0  0
  4 26  1  0  0  0  0
 26  5  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 43  1  0  0  0  0
  7 45  1  6  0  0  0
  8  9  1  0  0  0  0
  9 39  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 34  1  1  0  0  0
 11 12  1  0  0  0  0
 11 61  1  0  0  0  0
 12 15  2  0  0  0  0
 12 65  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 19  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 65  1  0  0  0  0
 20 21  2  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  1  0  0  0  0
 25 30  1  0  0  0  0
 25 46  1  6  0  0  0
 26 29  1  0  0  0  0
 27 28  1  0  0  0  0
 29 28  1  1  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 30 37  1  0  0  0  0
 30 48  1  1  0  0  0
 31 37  1  0  0  0  0
 32 35  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 36  1  0  0  0  0
 35 38  1  0  0  0  0
 36 38  2  0  0  0  0
 36 40  1  0  0  0  0
 37 42  1  1  0  0  0
 37 57  1  0  0  0  0
 40 41  1  0  0  0  0
 43 44  1  0  0  0  0
 46 47  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 49 51  1  0  0  0  0
 52 53  2  0  0  0  0
 52 54  1  0  0  0  0
 52 55  2  0  0  0  0
 52 56  1  0  0  0  0
 57 58  2  0  0  0  0
 57 59  1  0  0  0  0
 59 60  1  0  0  0  0
 61 62  2  0  0  0  0
 61 63  1  0  0  0  0
 63 64  1  0  0  0  0
 66 67  2  0  0  0  0
M  END
>  <NSC>
67574

>  <CAS>
2068-78-2

>  <PubChem SID>
112141, 92764772

>  <Molecular Formula>
C46H56N4O10.H2O4S

>  <Molecular Weight>
923

>  <Chemical Names>
Vincristine sulfate
Vincristine
Onkovin
Leurocristine sulfate
Oncovin
VCR sulfate
Alkaloid extracted from Vinca rosea Linn
Vincasar
Vincrex
Kyocristine

$$$$
NSC 71423
  CML DOM 10282011382D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -3.9403    2.5753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6182    6.8431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8897    9.4269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6058    8.4690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6021   12.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0287   11.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2796   10.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7714   10.6404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3815    9.2701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0287   10.0472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6021    9.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4998    8.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0081    8.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1100    6.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6017    6.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2119    5.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8736    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2283    5.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3302    3.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2635    5.6295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8384    4.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9916    7.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1452    4.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0296   12.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3621   13.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8393   12.8993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1509   14.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4409   13.2543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9372   13.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7760   14.3932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5948   11.8015    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
  5 28  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 14  1  0  0  0  0
 12 13  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  2  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
 20 23  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <NSC>
71423

>  <CAS>
595-33-5

>  <PubChem SID>
114395

>  <Molecular Formula>
C24H32O4

>  <Molecular Weight>
385

>  <Chemical Names>
Megestrol acetate
Megestrol
Megace
Progesterone, 6-dehydro-17-hydroxy-6-methyl-, acetate
17-Acetoxy-6-methylpregna-4,6-diene-3,20-dione
Megestryl acetate
6-Methyl-6-dehydro-17.alpha.-acetylprogesterone
6-Methyl-6-dehydro-17.alpha.-acetoxyprogesterone
17.alpha.-Acetoxy-6-dehydro-6-methylprogesterone
6-Dehydro-6-methyl-17.alpha.-acetoxyprogesterone

$$$$
NSC 75520
  CML DOM 10282011382D

 20 21  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
    2.1346   -7.6317    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
    3.3481   -5.2500    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
    4.6471   -3.0000    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
    2.0491   -4.5000    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
    4.5616   -7.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -9.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -9.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3265  -11.6421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7164  -10.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9798  -10.2718    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
    5.9462   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -0.9510    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962   -3.5490    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452   -1.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  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
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  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
  6 17  1  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
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  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>
75520

>  <CAS>
70-00-8

>  <PubChem SID>
117087

>  <Molecular Formula>
C10H11F3N2O5

>  <Molecular Weight>
296

>  <Chemical Names>
Trifluridine
F3T
TFDU
F3TDR
F3DThd
Viroptic
TRIFLURIDINE
Trifluorothymidine
Trifluoromethyldeoxyuridine
5-(Trifluoromethyl)deoxyuridine

$$$$
NSC 77213
  CML DOM 10282011382D

 17 16  0  0  0  0  0  0  0  0999 V2000
   -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 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   -3.3481    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
   -6.0000   -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
   -3.7500   -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
  -12.0000   -2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7500   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7500   -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
  -10.5000   -2.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -4.6471    0.0000 N   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
   -6.7500   -6.1471    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
  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
  7  9  2  0  0  0  0
  7 14  1  0  0  0  0
  8 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
77213

>  <CAS>
366-70-1

>  <PubChem SID>
551000

>  <Molecular Formula>
C12H19N3O.ClH

>  <Molecular Weight>
258

>  <Chemical Names>
Procarbazine hydrochloride
Procarbazine
Matulane
PCB hydrochloride
Ibenzmethyzine hydrochloride
p-(N'-methylhydrazinomethyl)-N-isopropylbenzamide hydrochloride
MBH
Natulan
Nathulane
Natunalar

$$$$
NSC 79037
  CML DOM 10282011382D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -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
   -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 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
   -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
   -3.3481   -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
   -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 Cl  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   -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
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  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
  7 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <NSC>
79037

>  <CAS>
13010-47-4

>  <PubChem SID>
119147

>  <Molecular Formula>
C9H16ClN3O2

>  <Molecular Weight>
234

>  <Chemical Names>
Lomustine
CeeNU
CCNU
N-(2-Chloroethyl)-N'-cyclohexyl-N-nitrosourea
Belustine
1-(2-Chloroethyl)-3-cyclohexylnitrosourea
1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea
1-Nitrosourea, 1-(2-chloroethyl)-3-cyclohexyl-
Urea, 1-(2-chloroethyl)-3-cyclohexyl)-1-nitroso-
SRI 2200

$$$$
NSC 82151
  CML DOM 10282011382D

 39 42  0  0  0  0  0  0  0  0999 V2000
  -11.1423   -7.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -1.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -9.3086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -7.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -2.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -2.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -2.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4414   -3.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -2.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -3.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -4.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -4.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -4.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4414   -4.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -4.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -5.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -5.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -5.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -5.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -7.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -7.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -7.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481  -10.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -9.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -7.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -7.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500  -10.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -7.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -1.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -8.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -7.0586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -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 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0983   -0.7500    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
   -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 26  1  0  0  0  0
 19  4  1  6  0  0  0
  4 23  1  0  0  0  0
  5  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  6 15  2  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 35  1  0  0  0  0
  7 38  1  6  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  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 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  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
 24 25  1  0  0  0  0
 25 27  1  0  0  0  0
 25 34  1  0  0  0  0
 26 27  1  0  0  0  0
 26 33  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
M  END
>  <NSC>
82151

>  <CAS>
23541-50-6

>  <PubChem SID>
301154

>  <Molecular Formula>
C27H29NO10.ClH

>  <Molecular Weight>
564

>  <Chemical Names>
Daunorubicin hydrochloride
Daunorubicin
Daunomycin
Daunomycin hydrochloride
Daunoblastin
Antibiotics from Streptomyces coeruleorubidus
Rubidomycin hydrochloride
(1S,3S)-3-Acetyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenedione, hydrochloride, (8S-cis)-
L-lyxo-Hexopyranoside, 3.beta.-acetyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1a-naththacenyl 3-amino-2,3,6-trideoxy-, .alpha.-, hydrochloride
5,12-Naphthacenedione, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-, hydrochloride

$$$$
NSC 85998
  CML DOM 10282011382D

 18 17  0  0  0  0  0  0  0  0999 V2000
   -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
    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
    4.8212    5.1495    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
    7.4192    6.6495    0.0000 N   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
    0.9240    2.8995    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
    3.5221    2.8995    0.0000 O   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
    4.8212    6.6495    0.0000 N   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    2.8995    0.0000 O   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
    8.7183    7.3995    0.0000 N   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 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  6  0  0  0
  3  4  1  0  0  0  0
  3 10  1  1  0  0  0
  4  5  1  0  0  0  0
  4 11  1  1  0  0  0
  5 13  1  1  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 13  1  0  0  0  0
  7 12  1  0  0  0  0
  7 17  1  0  0  0  0
 14 15  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <NSC>
85998

>  <CAS>
18883-66-4

>  <PubChem SID>
123022

>  <Molecular Formula>
C8H15N3O7

>  <Molecular Weight>
265

>  <Chemical Names>
Streptozocin
Zanosar
STZ
Streptozoticin
2-Deoxy-2-(3-methyl-3-nitrosoureido)-D-glucopyranose
D-Glucose, 2-deoxy-2-(3-methyl-3-nitrosoureido)-
D-Glucopyranose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-
2-Deoxy-2-(3-methyl-3-nitrosoureido)-.alpha.(and.beta.)-D-glucopyranose
U-9889
U 9889

$$$$
NSC 92859
  CML DOM 10282011382D

 10 12  0  0  0  0  0  0  0  0999 V2000
    2.8653    2.7195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8103    3.2769    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    4.7662    2.7391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7792    1.6395    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    2.8762    1.6221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9073    3.2572    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    2.8458    4.9142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7994    4.3743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7133    3.2942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7467    4.9317    0.0000 As  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
  4  5  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 10  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <NSC>
92859

>  <CAS>
1327-53-3

>  <Molecular Formula>
As2O3

>  <Molecular Weight>
198

>  <Chemical Names>
Arsenic trioxide
Trisenox
Arsenic oxide, As2O3
Arsenic oxide (As2O3)

$$$$
NSC 102816
  CML DOM 10282011382D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.4782   -2.0076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8250   -3.6091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1770   -3.9734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6252   -4.4617    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3239   -6.4274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3433   -2.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0420   -4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8951   -2.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5938   -4.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0282   -5.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5279   -5.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0204   -4.5153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3846   -7.1634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1219   -7.0969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0736   -2.4959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4561   -4.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5501   -5.1072    0.0000 O   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
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  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  7  2  0  0  0  0
  6 15  1  0  0  0  0
  9 10  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
 11 13  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
102816

>  <CAS>
320-67-2

>  <PubChem SID>
405114

>  <Molecular Formula>
C8H12N4O5

>  <Molecular Weight>
244

>  <Chemical Names>
Azacitidine
Mylosar
Vidaza
Ladakamycin
5-Azacytidine
Anitibiotic U 18496
5-AC
5 AZC
5-AZCR
Azacytidine, 5-

$$$$
NSC 105014
  CML DOM 10282011382D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -3.0491    7.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0491    5.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6225    5.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7408    6.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6225    7.5735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7592    6.3600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2626    4.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8657    9.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8657   10.9636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   11.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2677   10.9636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2676    9.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    8.7136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1589   11.4271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0406   10.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1589    9.0001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1058    3.2365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1648    8.7136    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   13.2136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1589    3.7199    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
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
105014

>  <CAS>
4291-63-8

>  <PubChem SID>
405818

>  <Molecular Formula>
C10H12ClN5O3

>  <Molecular Weight>
286

>  <Chemical Names>
Cladribine
Leustatin
Leustat
Adenosine, 2-chloro-2'-deoxy-
Cladibina
RWJ-26251

$$$$
NSC 109724
  CML DOM 10282011382D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.9578   -0.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2697   -0.1749    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2959    1.3248    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.0101    2.0974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6982    1.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6720   -0.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5555   -0.9475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5293   -2.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8151   -3.2198    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2567   -0.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7291   -0.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2175   -2.0841    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8334    2.7252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7683    1.0387    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
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  2  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
  7  8  1  0  0  0  0
  8  9  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
M  END
>  <NSC>
109724

>  <CAS>
3778-73-2

>  <PubChem SID>
301170

>  <Molecular Formula>
C7H15Cl2N2O2P

>  <Molecular Weight>
261

>  <Chemical Names>
Ifosfamide
Mitoxana
Ifex
Isoendoxan
Asta Z 4942
Iphosphamid
Holoxan 1000
Iphosphamide
Isofosfamide
I-Phosphamide

$$$$
NSC 119875
  CML DOM 10282011382D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -1.0308    1.0897    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897   -1.0308    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    1.0308   -1.0897    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    1.0897    1.0308    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Pt  0  2  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  5  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  0  0  0  0
M  CHG  3   3  -1   4  -1   5   2
M  END
>  <NSC>
119875

>  <CAS>
15663-27-1

>  <PubChem SID>
301178

>  <Molecular Formula>
Cl2H6N2Pt

>  <Molecular Weight>
300

>  <Chemical Names>
Cisplatin
Plantinol AQ
Cis-DDP
CDDP
cis-Diaminedichloroplatinum
Platinol
cis Pt II
Platiblastin
DDP
CACP

$$$$
NSC 122758
  CML DOM 10282011382D

 22 22  0  0  0  0  0  0  0  0999 V2000
  -12.4413   -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
   -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
   -7.2452   -2.2500    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   -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
  -15.0394   -2.2500    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
  -13.7404   -3.0000    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
  -16.3385   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0036   -1.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0752   -1.1009    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
   -9.8433   -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
   -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 O   0  0  0  0  0  0  0  0  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  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
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 19  1  0  0  0  0
  8 20  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
  9 16  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
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <NSC>
122758

>  <CAS>
302-79-4

>  <PubChem SID>
416403

>  <Molecular Formula>
C20H28O2

>  <Molecular Weight>
300

>  <Chemical Names>
Tretinoin
Vesanoid
ATRA
all trans-Retinoic acid
Retinoic acid
Vitamin A acid
Retin-A
Tretinoin, all-trans-
all-trans-Retinoic acid
all-trans-Vitamin A acid

$$$$
NSC 122819
  CML DOM 10282011382D

 49 56  0  0  0  0  0  0  0  0999 V2000
   -7.6364   -0.1710    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
   -5.7245    1.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4137   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
   -6.3346    3.0674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5706    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
   -3.3245   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
   -1.6881    9.4644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9016    7.0827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2933   14.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7851   14.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6832   12.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5648   11.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6667   13.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0566   11.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9383   10.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4301   10.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3282    9.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9016    8.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0402   11.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5320   12.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2098    7.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3117    9.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4136   10.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3282    6.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7016    7.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8035    9.5165    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
   -4.4094    4.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0669    3.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5633    2.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4020    4.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7445    5.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1563    1.2501    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
   -4.3952   15.5842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8870   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    4.0795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   15.2706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914   12.5300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4187   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
  1 41  1  0  0  0  0
  2 28  1  0  0  0  0
  2 32  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 38  1  0  0  0  0
  3 49  1  6  0  0  0
  4 25  1  0  0  0  0
  4 32  1  0  0  0  0
  5  7  1  0  0  0  0
  6 34  1  0  0  0  0
  7 33  1  0  0  0  0
  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
 12 23  2  0  0  0  0
 13 23  1  0  0  0  0
 13 29  1  0  0  0  0
 14 16  2  0  0  0  0
 14 15  1  0  0  0  0
 14 46  1  0  0  0  0
 15 18  2  0  0  0  0
 15 42  1  0  0  0  0
 16 17  1  0  0  0  0
 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

>  <CAS>
29767-20-2

>  <PubChem SID>
416461, 26732588

>  <Molecular Formula>
C32H32O13S

>  <Molecular Weight>
657

>  <Chemical Names>
Teniposide
Vumon
Vee M-26
VM 26
4'-Demethylepipodophyllotoxin thenylidene glucoside
4-Demethylepipodophyllotoxin-.beta.-D-thenylideneglucoside
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.)]-
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.)]-
PTG
EPT

$$$$
NSC 123127
  CML DOM 10282011382D

 40 43  0  0  0  0  0  0  0  0999 V2000
  -11.1423   -7.5796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -1.5796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -9.8296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -7.5796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1341   -2.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6569   -2.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -3.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4414   -3.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -3.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -3.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -5.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -5.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -5.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4414   -5.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -5.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -6.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -6.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -6.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -6.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -8.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -7.5796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -8.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481  -10.5796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -9.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -7.5796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -8.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500  -10.5796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -7.5796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -1.5796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -9.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -7.5795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1699   -4.0900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1439   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0983   -1.2710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8947  -12.0796    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1 23  2  0  0  0  0
  2 12  2  0  0  0  0
  3 25  1  0  0  0  0
  3 28  1  0  0  0  0
 21  4  1  6  0  0  0
  4 25  1  0  0  0  0
  9  5  1  0  0  0  0
  5 39  2  0  0  0  0
  5  6  1  0  0  0  0
  6 38  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  7 34  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
  9 37  1  6  0  0  0
 11 18  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 19  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 24  2  0  0  0  0
 22 33  1  0  0  0  0
 24 30  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 29  1  0  0  0  0
 27 36  1  0  0  0  0
 28 29  1  0  0  0  0
 28 35  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <NSC>
123127

>  <CAS>
25316-40-9

>  <PubChem SID>
301181

>  <Molecular Formula>
C27H29NO11.ClH

>  <Molecular Weight>
580

>  <Chemical Names>
Doxorubicin hydrochloride
Adriamycin
Rubex
Doxorubicin
ADM hydrochloride
Adriamycin hydrochloride
ADR
DOX HCl
Adriacin
Adriblastin

$$$$
NSC 125066
  CML DOM 10282011382D

110114  0  0  0  0  0  0  0  0999 V2000
  -10.1024   25.4006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8033   24.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5043   22.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9062   22.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6072   23.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3081   23.9006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8034   23.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5043   25.4005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5043   23.9005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8572   21.8515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0091   23.1505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3572   24.4496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3081   25.4005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5043   20.9005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8034   20.1506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8034   18.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5043   17.9005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2053   18.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2053   20.1505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2053   23.1505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9063   17.9005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6072   18.6505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6072   15.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3082   16.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6072   14.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6072   17.1505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3082   17.9005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2899   16.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2899   17.9005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0399   15.1014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5890   18.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4601   19.1995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8880   19.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3390   17.3514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1871   18.6505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1871   21.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1871   23.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4861   20.9005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8880   22.4005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2361   19.6014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8880   23.9005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7852   23.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0842   23.9005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2977   26.2821    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0842   25.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8707   26.2822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8342   27.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3342   27.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9161   30.3489    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4526   28.9223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9525   28.9223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4890   30.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7026   31.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0624   30.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9477   29.8087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8653   33.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5534   34.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6682   35.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3563   37.2215    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
   -4.9063   16.4005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0091   15.6505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8880   20.9005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4861   23.9005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7505   32.2796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9063   13.4005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6072   12.6505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3082   13.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1514   11.9087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0658   12.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379   14.0106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6842   11.5968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5014   10.2654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9063   11.9005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0957    9.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3947    8.9234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9899    7.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2100   10.0285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8005    9.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6862    9.1604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4257    7.6831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6757    6.3841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2492    3.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7278    5.9696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8504    6.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5514    5.5735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7998    2.9090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5008    2.1590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5438    9.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9899    5.7883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8504    7.8235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5097    2.3827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0269    5.2196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0989    2.1590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7998    4.4090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5008    5.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5044   16.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7899   16.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8390   19.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7852   21.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4710   38.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9296   37.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4705   11.5057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2101   17.9005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7361   19.6015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1024   17.9005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8522   29.4679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8522   27.9679    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3522   27.9679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8522   26.4679    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  -13.3522   27.9679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  1  0  0  0
  3 14  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  1  0  0  0
  5 12  1  0  0  0  0
  6 11  2  0  0  0  0
  6 13  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
 16105  1  0  0  0  0
 17 18  1  0  0  0  0
 17 96  1  0  0  0  0
 18 19  2  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 60  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  1  0  0  0
 23 60  1  0  0  0  0
 24 27  2  0  0  0  0
 24 61  1  0  0  0  0
 25 65  1  0  0  0  0
 25 66  1  0  0  0  0
 25 67  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  6  0  0  0
 28 61  1  0  0  0  0
 28 97  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  6  0  0  0
 29103  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  1  0  0  0
 31 98  1  0  0  0  0
 33 35  2  0  0  0  0
 33 62  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  1  0  0  0
 36 62  1  0  0  0  0
 37 41  2  0  0  0  0
 37 63  1  0  0  0  0
 38 40  1  6  0  0  0
 38104  1  0  0  0  0
 38 99  1  0  0  0  0
 42 43  1  0  0  0  0
 42 63  1  0  0  0  0
 43 45  1  0  0  0  0
 44 45  1  0  0  0  0
 44 47  1  0  0  0  0
 45 46  2  0  0  0  0
 46 48  1  0  0  0  0
 47 48  2  0  0  0  0
 48 50  1  0  0  0  0
 49 50  1  0  0  0  0
 49 53  1  0  0  0  0
 50 51  2  0  0  0  0
 51 52  1  0  0  0  0
 52 53  2  0  0  0  0
 52 54  1  0  0  0  0
 54 55  2  0  0  0  0
 54 64  1  0  0  0  0
 56 57  1  0  0  0  0
 56 64  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 59100  1  0  0  0  0
 59101  1  0  0  0  0
 65 73  1  0  0  0  0
 67 68  2  0  0  0  0
 67 70  1  0  0  0  0
 68 71  1  0  0  0  0
 69 70  2  0  0  0  0
 69 71  1  0  0  0  0
 72 73  1  0  0  0  0
 72 78  1  0  0  0  0
 73 74  1  0  0  0  0
 74 75  1  0  0  0  0
 74 79  1  0  0  0  0
 75 76  1  0  0  0  0
 75 88  1  0  0  0  0
 76 78  1  0  0  0  0
 76 89  1  0  0  0  0
 77 78  1  0  0  0  0
 77102  1  0  0  0  0
 79 80  1  0  0  0  0
 80 81  1  0  0  0  0
 80 83  1  0  0  0  0
 81 85  1  0  0  0  0
 82 85  1  0  0  0  0
 82 91  1  0  0  0  0
 82 95  1  0  0  0  0
 83 92  1  0  0  0  0
 83 95  1  0  0  0  0
 84 85  1  0  0  0  0
 84 90  1  0  0  0  0
 86 87  2  0  0  0  0
 86 93  1  0  0  0  0
 86 94  1  0  0  0  0
 94 95  1  0  0  0  0
106107  1  0  0  0  0
107108  2  0  0  0  0
107109  1  0  0  0  0
107110  2  0  0  0  0
M  CHG  2  59   1 109  -1
M  END
>  <NSC>
125066

>  <CAS>
11056-06-7

>  <Molecular Formula>
C55H84N20O21S2.C55H84N17O21S3

>  <Molecular Weight>
2841

>  <Chemical Names>
Bleomycin sulfate
Bleomycin
Blenoxane
BLM
Bleo
Bleocin

$$$$
NSC 125973
  CML DOM 10282011392D

 63 69  0  0  0  0  0  0  0  0999 V2000
   12.6092    8.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1092    4.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1699    5.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1699    7.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1092    8.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6832    9.7188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4689    5.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7679    5.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7680    7.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4689    8.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6092    6.2117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5485    7.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2938    6.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0592    4.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2727    4.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6092    4.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5180    4.4733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2189    3.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3657    4.2852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8841    2.8408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6733    4.3383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4833    5.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0975    4.6774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6791    6.7386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9074    5.5906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9132    7.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5274    7.4168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0352    9.7188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5480    9.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6348    8.7246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9740   11.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4689    9.5223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4082    3.9617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9324    2.0057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3813    1.6174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8717    0.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7782    1.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3476    2.2785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9594    3.2531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1029    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9970   -0.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3216   -2.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7522   -2.5659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8581   -1.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5335   -0.0881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1089    9.4780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9189   10.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1147   11.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5005   12.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6905   11.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4948   10.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5216    5.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3258    3.5293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9400    2.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9457    5.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3316    5.9296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1032    7.0777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9017    3.1902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3657    8.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0581    5.8234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3592    7.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0218    7.1888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 12  1  0  0  0  0
  1 28  1  1  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  2 20  1  6  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 19  1  6  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  4 60  1  1  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  7 33  1  6  0  0  0
  8  9  1  0  0  0  0
  8 17  1  1  0  0  0
  9 10  1  0  0  0  0
 10 32  1  1  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 11 61  1  0  0  0  0
 11 62  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 63  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  6  0  0  0
 15 16  1  0  0  0  0
 16 39  1  1  0  0  0
 17 18  1  0  0  0  0
 20 37  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 59  1  6  0  0  0
 25 52  1  0  0  0  0
 25 58  1  6  0  0  0
 26 27  2  0  0  0  0
 26 46  1  0  0  0  0
 26 58  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 37 38  2  0  0  0  0
 37 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 45  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 46 47  2  0  0  0  0
 46 51  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 49 50  1  0  0  0  0
 50 51  2  0  0  0  0
 52 53  2  0  0  0  0
 52 57  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  2  0  0  0  0
 55 56  1  0  0  0  0
 56 57  2  0  0  0  0
M  END
>  <NSC>
125973

>  <CAS>
33069-62-4

>  <PubChem SID>
418145

>  <Molecular Formula>
C47H51NO14

>  <Molecular Weight>
854

>  <Chemical Names>
Paclitaxel
Anzatax
Taxol
Taxol (Registered Trademark)
7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxete,benzenepropanoic acid deriv.
Benzenepropanoic acid, .beta.-(benzoylamino)- .alpha.-hydroxy-, 6,12b-bis(acetyl oxy)-12-(benzoyloxy)- 2a,3,4,4a,5,6,9,10,11,12,12a,12b,- dodecahydro-4,11- dihydroxy-4a,8,13,13-tetramethyl-5-oxo- 7,11-methano- 1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR- [2a.alpha.,4.beta.,4a.beta.,6.beta.,9.alpha.(alpha. R*,.beta.S*),11.alpha.,12.alpha.,12a.alpha.,12b.alpha.]]-
Tax-11-en-9-one, 5.beta.,20-epoxy-1,2.alpha.,4,7.beta., 10.beta.,13.alpha.- hexahydroxy-, 4,10-diacetate 2- benzoate,13-ester with (2R,3S)-N-benzoyl-3-phenylisoserine

$$$$
NSC 127716
  CML DOM 10282011392D

 16 17  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
    1.7164  -10.2718    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
    2.1345   -7.6317    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
    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
    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
    3.3481   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5616   -7.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -9.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -9.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3265  -11.6421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9798  -10.2718    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  9  2  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  7  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 13  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  2  0  0  0  0
  6  7  1  0  0  0  0
  7 16  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 15  1  0  0  0  0
M  END
>  <NSC>
127716

>  <CAS>
2353-33-5

>  <PubChem SID>
419300

>  <Molecular Formula>
C8H12N4O4

>  <Molecular Weight>
228

>  <Chemical Names>
Decitabine
Dacogen
5-Aza-2'-deoxycytidine
1,3,5-Triazin-2(1H)-one, 4-amino-1-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-
s-Triazin-2(1H)-one, 4-amino-1-(2-deoxy-.beta.-D-erythro-pentofuranosyl-

$$$$
NSC 138783
  CML DOM 10282011392D

 24 24  0  0  0  0  0  0  0  0999 V2000
   -9.2545   -6.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2545   -7.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9555   -8.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6564   -7.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6564   -6.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9555   -5.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2298   -8.1727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3482   -6.9591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2298   -5.7456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5535   -8.4591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8526   -7.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5535   -9.9591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1516   -8.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1516   -9.9591    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -11.8526  -10.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8526  -12.2091    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8482   -6.9591    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
   -0.5982   -5.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7663   -4.3190    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
    1.6518   -4.3611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5982   -3.0620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3393   -9.6034    0.0000 Cl  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
  4  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
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  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
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <NSC>
138783

>  <CAS>
3543-75-7

>  <PubChem SID>
558674

>  <Molecular Formula>
C16H21Cl2N3O2.ClH

>  <Molecular Weight>
395

>  <Chemical Names>
bendamustine hydrochloride
Ribomustin
Treanda
IMET 3393
Cytostasan
2-Benzimidazolinebutryric acid, 1-methyl-5-bis(2-chloroethyl)amino-, hydrochloride
SDX-105
WLN: T56 BN DNJ B1 C3VQ GN2G2G &GH
1H-Benzimidazole-2-butanoic acid, 5-[bis(2-chloroethyl)amino]-1-methyl-, monohydrochloride
2-Benzimidazolebutyric acid, 5-[bis(2-chloroethyl)amino]-1-methyl-, monohydrochloride

$$$$
NSC 141540
  CML DOM 10282011392D

 46 52  0  0  0  0  0  0  0  0999 V2000
   -9.9708    7.8237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9708   10.2507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5592    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3450    3.1981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0624    3.8295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6113    6.3881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    9.0372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6829    6.3882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1913   11.2790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1913    6.7954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4580   11.6773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0398    9.0372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   15.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   14.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   14.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   12.7872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   12.7872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   12.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   10.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462    9.7872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    9.7872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9215   10.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   10.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442    9.7872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    8.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462    8.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442    8.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    7.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452    7.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8525    9.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9215    7.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5950    1.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5494    2.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0722    2.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1080    3.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6210    4.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0983    4.9786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1007    1.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   15.0372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   14.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0364    1.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5852    3.5691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6569    5.8672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   16.5372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   15.0372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   14.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  1 30  1  0  0  0  0
  2 24  1  0  0  0  0
  2 30  1  0  0  0  0
  3 32  1  0  0  0  0
  3 41  1  0  0  0  0
  4 32  1  0  0  0  0
  4 34  1  0  0  0  0
  5 33  1  0  0  0  0
  5 37  1  0  0  0  0
 28  6  1  0  0  0  0
  6 37  1  0  0  0  0
 19  7  1  6  0  0  0
 28  8  1  1  0  0  0
 21  9  1  6  0  0  0
 25 10  1  1  0  0  0
 11 22  2  0  0  0  0
 12 22  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 44  1  0  0  0  0
 14 16  1  0  0  0  0
 14 45  1  0  0  0  0
 15 17  2  0  0  0  0
 15 39  1  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 26  2  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 23 24  2  0  0  0  0
 24 27  1  0  0  0  0
 25 31  1  0  0  0  0
 25 28  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 29  2  0  0  0  0
 32 38  1  0  0  0  0
 33 34  1  0  0  0  0
 33 41  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 42  1  0  0  0  0
 36 37  1  0  0  0  0
 36 43  1  0  0  0  0
 39 40  1  0  0  0  0
 45 46  1  0  0  0  0
M  END
>  <NSC>
141540

>  <CAS>
33419-42-0

>  <PubChem SID>
427063

>  <Molecular Formula>
C29H32O13

>  <Molecular Weight>
589

>  <Chemical Names>
Etoposide
Toposar
VePesid
VP-16
Epipodophyllotoxin VP-16213
DEMETHY-EPIPODOPHYLLOTOXIN,ETHYLIDENE GLUCOSIDE,
4-Demethylepipodophyllotoxin-.beta.-D-ethylideneglucoside
4'-Demethylepipodophyllotoxin ethylidene-.beta.-D-glucoside
Epipodophyllotoxin, 4'-demethyl-, 9-(4,6-O-ethylidene-.beta.-D-glucopyranoside)
EPE

$$$$
NSC 169780
  CML DOM 10282011392D

 20 21  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
   -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 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
   -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 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202  -10.3995    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   -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
    0.3750   -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
    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 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
   -2.9731   -7.9486    0.0000 C   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
   -7.4192   -8.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4731   -7.9486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 20  1  6  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 16  2  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <NSC>
169780

>  <CAS>
24584-09-6

>  <PubChem SID>
442425

>  <Molecular Formula>
C11H16N4O4

>  <Molecular Weight>
268

>  <Chemical Names>
Dexrazoxane
Zinecard
Totect
ICRF-187
(+)-1,2-Bis(3,5-dioxopiperazin-1-yl)propane
Soluble ICRF (L-isosomer)
(S)-(+)-1,2-Bis(3,5-dioxopiperazin-1-yl)propane
ADR 529
2,6-Piperazinedione,4,4'-(1-methyl-1,2-ethanediyl)bis-, (S)-
2,6-Piperazinedione,4,4'-[(1S)-1-methyl-1,2-ethanediyl]bis-

$$$$
NSC 180973
  CML DOM 10282011392D

 41 42  0  0  0  0  0  0  0  0999 V2000
  -14.4279   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2318   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9327   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6337   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5249  -12.9791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0249  -12.9791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0249  -12.9791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8298   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1289   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5308   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5308   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1289   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8298   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5249  -11.4791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5249  -14.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2259  -15.2291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3346   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9327   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6337   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6337   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9327   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2318   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2318   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2318   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5308   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5308   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2318  -10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9327   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9327   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7270   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0260   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.3250   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -19.6241   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.3250   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8240  -15.2291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5379  -11.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5738  -10.4205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0152  -11.3090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5119  -11.5696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0346  -11.3091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4760  -10.4205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  2  0  0  0  0
  2 11  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  4 17  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 39  1  0  0  0  0
  7 36  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
 15 16  2  0  0  0  0
 15 35  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
 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
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
M  END
>  <NSC>
180973

>  <CAS>
54965-24-1

>  <PubChem SID>
447264

>  <Molecular Formula>
C26H29NO.C6H8O7

>  <Molecular Weight>
564

>  <Chemical Names>
Tamoxifen citrate
Tamoxifen
Nolvadex
TMX
ICI 46474 citrate
Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propane-tricarboxylate (1:1)
Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

$$$$
NSC 218321
  CML DOM 10282011392D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.0082   -4.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8892   -2.0442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5180   -1.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4467   -2.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6135   -3.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8303   -3.5430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7928   -5.9562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1327   -5.3573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9251   -0.0812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3324    0.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2734    1.9369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4983    0.9706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5289    2.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0273    4.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3741    3.7731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8297    2.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0036    1.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5837    5.2584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3193    3.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8688    3.8993    0.0000 O   0  0  0  0  0  0  0  0  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  6  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
  5  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  6  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <NSC>
218321

>  <CAS>
53910-25-1

>  <PubChem SID>
129792

>  <Molecular Formula>
C11H16N4O4

>  <Molecular Weight>
268

>  <Chemical Names>
Pentostatin
Nipent
2'-Deoxycoformycin
2'-DCF
CI-825
Covidarabine
Co-Vidarabine
Deaminase inhibitor
Vira A deaminase inhibitor
Co-V

$$$$
NSC 226080
  CML DOM 10282011392D

 65 68  0  0  0  0  0  0  0  0999 V2000
    7.7177    6.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7177    5.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0167    4.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3158    5.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3158    6.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0167    7.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4187    7.4979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4187    4.4979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1196    5.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6148    4.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6148    2.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9139    2.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3158    2.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7999    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3086    0.8752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9255    4.4498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2378    5.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0614    5.6760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7194    5.3642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1718    5.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6576    6.5595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6562    5.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0594    4.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2259    7.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0313    6.9482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3159    4.1467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2662    5.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3670    3.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1634    1.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0127   -0.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5188   -0.4602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0398   -2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6020   -1.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5130   -2.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8619   -4.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2997   -4.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3887   -3.5540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0431   -4.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7720   -5.7002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9723   -6.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9021   -7.1323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1329   -7.0315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6029   -8.4348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5532   -9.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0335   -9.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9230   -8.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8321   -6.7529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4220   -8.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8976   -7.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2808   -7.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3461   -6.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5186   -5.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9718   -3.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7218   -2.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5327   -1.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6679    0.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5211   -5.5826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0072   -8.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1268    0.7416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5445    4.0057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3249   -9.3077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7838   -9.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7380    6.3037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2358    6.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1227   -8.6775    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  6  0  0  0
  2  3  1  0  0  0  0
  2  8  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  1  0  0  0
  5  6  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
 11 13  1  6  0  0  0
 12 14  1  0  0  0  0
 12 15  1  6  0  0  0
 14 16  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 21  1  6  0  0  0
 19 20  2  0  0  0  0
 20 22  1  0  0  0  0
 20 24  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  1  0  0  0
 23 26  1  0  0  0  0
 23 63  1  1  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 60  1  6  0  0  0
 29 56  1  0  0  0  0
 30 31  2  0  0  0  0
 32 30  1  1  0  0  0
 32 33  1  0  0  0  0
 32 37  1  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
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 47  1  0  0  0  0
 42 57  1  1  0  0  0
 43 44  1  0  0  0  0
 43 65  1  1  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  6  0  0  0
 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 49 61  1  1  0  0  0
 50 51  2  0  0  0  0
 50 58  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  2  0  0  0  0
 53 54  1  0  0  0  0
 54 55  2  0  0  0  0
 55 56  1  0  0  0  0
 56 59  1  6  0  0  0
 61 62  1  0  0  0  0
 63 64  1  0  0  0  0
M  END
>  <NSC>
226080

>  <CAS>
53123-88-9

>  <PubChem SID>
131458

>  <Molecular Formula>
C51H79NO13

>  <Molecular Weight>
914

>  <Chemical Names>
Sirolimus
Rapamune
Rapamycin
(-)-Rapamycin
Antibiotic AY 22989
SIIA 9268A
AY 22989
Wy 090217
23,27-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclohentriacontine- 1,5,11,28,29(4H,6H,31H)-pentone, 9,10,12,13,14,21,22,23,24, 25,26,27,32,33,34,34a-hexadecahydro-9,27-dihydroxy- 3-[2-(4-hydroxy-3-methoxycyclohexyl)-1-methylethyl]- 10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-, [3S-[3R*[S* (1R*,3S*,4S*)],6S*,7E,9S*,10S*,12S*,14R*,15E,17E,19E,21R*, 23R*,26S*,27S*,34aR*]]-
Rapamycin

$$$$
NSC 241240
  CML DOM 10282011392D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.4865   -6.5852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8126   -5.8352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8126   -4.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1116   -6.5852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1116   -3.5852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4244   -2.8863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6363   -4.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4107   -5.8352    0.0000 Pt  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1116   -2.0852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4107   -4.3352    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
   -4.8879   -5.5747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9237   -7.2447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9595   -8.3938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4009   -7.5052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8521   -6.7238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4009   -4.1652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  2  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  1  0  0  0  0
 11  7  1  0  0  0  0
 10  8  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <NSC>
241240

>  <CAS>
41575-94-4

>  <PubChem SID>
568180

>  <Molecular Formula>
C6H12N2O4Pt

>  <Molecular Weight>
371

>  <Chemical Names>
Carboplatin
Paraplatin
Paraplat
CBDCA
1,1-Cyclobutanedicarboxylate diammine platinum(II)
cis-Diammine(1,1-cyclobutanedicarboxylato)platinum(II)
cis-(1,1-Cyclobutanedicarboxylato)diammineplatinum(II)
Platinum(II), (1,1-cyclobutanedicarboxylato)diammine-, cis-
Platinum, diamine(1,1-cyclobutanedicarboxylato(2-)-O,O')-, (SP-4-2)-
Platinum, diammine[1,1-cyclobutanedicarboxylato(2-)-O,O']-, (SP-4-2)-

$$$$
NSC 246131
  CML DOM 10282011392D

 51 55  0  0  0  0  0  0  0  0999 V2000
  -15.2061  -11.1801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2061   -5.1801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7109  -13.4301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0100  -11.1801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2061   -6.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9071   -7.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.8042   -6.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.1033   -7.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5052   -7.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6081   -6.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3090   -7.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0100   -6.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7109   -7.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.1033   -8.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5052   -8.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9071   -8.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3090   -8.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7109   -8.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.8042   -9.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2061   -9.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6081   -9.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0100   -9.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7109  -11.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4119  -11.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1128  -11.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4119  -14.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1128  -13.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.8042  -11.1801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.1032  -11.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8138  -14.1801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6081  -11.1801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6081   -5.1801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4119  -12.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2337   -7.6906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1979   -6.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7207   -5.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2077   -4.3505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7305   -4.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2174   -2.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7402   -2.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2272   -1.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1621   -4.8715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7663   -5.2391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6647  -12.1443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9252  -13.6215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2552  -11.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7422  -13.0407    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8457  -11.1182    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7682  -10.2217    0.0000 F   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
   -4.8138  -11.1801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  2  0  0  0  0
  2  5  2  0  0  0  0
  3 23  1  0  0  0  0
  3 26  1  0  0  0  0
 22  4  1  6  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6 16  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 34  1  6  0  0  0
 13 35  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
 16 21  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 22  1  0  0  0  0
 19 28  1  0  0  0  0
 21 31  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 27  1  0  0  0  0
 25 51  1  0  0  0  0
 26 27  1  0  0  0  0
 26 33  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  1  0  0  0  0
 35 36  1  0  0  0  0
 35 42  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 43  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 50  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
 44 51  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  1  0  0  0  0
 46 49  1  0  0  0  0
M  END
>  <NSC>
246131

>  <CAS>
56124-62-0

>  <PubChem SID>
136463, 92763429

>  <Molecular Formula>
C34H36F3NO13

>  <Molecular Weight>
724

>  <Chemical Names>
Valrubicin
Valtaxin
Valstar
Trifluoroacetyladriamycin-14-valerate
Adriamycin, trifluoroacetyl-, 14-valerate
AD 32
Antibiotic AD 32
N-Trifluoroacetyladriamycin-14-valerate
NSC-246131
Pentanoic acid, 2-[1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-.alpha.-L-lyxo-hexopyranosyl]oxy]-2-naphthacenyl]-2-oxoethyl ester, (2S-cis)-

$$$$
NSC 256439
  CML DOM 10282011392D

 37 40  0  0  0  0  0  0  0  0999 V2000
   -9.1643   -2.3731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1643   -0.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8653   -3.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4634   -0.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8653   -0.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5663   -2.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8653   -4.6231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4634    1.3769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7624   -0.8732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8653    1.3769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2672   -3.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5663   -5.3732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7624    2.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1644    2.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0615   -0.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2672   -4.6231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0615    1.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3605   -0.8732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3605    2.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3605   -2.3732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6595   -0.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3605    3.6268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6596    1.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9586   -0.8732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9586    2.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.2576   -0.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.2576    1.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7624   -2.3732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7624    3.6269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3523    2.7864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3881    1.1164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4239    2.2655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8751   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9682   -2.3731    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9682   -5.3731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5663   -6.8732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8372   -4.9847    0.0000 Cl  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  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  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
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
  9 28  1  0  0  0  0
 10 14  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 16  1  0  0  0  0
 11 34  1  0  0  0  0
 12 16  1  0  0  0  0
 12 36  1  0  0  0  0
 13 17  2  0  0  0  0
 13 29  1  0  0  0  0
 15 18  1  0  0  0  0
 15 17  1  0  0  0  0
 16 35  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 19 23  1  0  0  0  0
 21 24  2  0  0  0  0
 21 23  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 27  2  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <NSC>
256439

>  <CAS>
57852-57-0

>  <PubChem SID>
569326

>  <Molecular Formula>
C26H27NO9.ClH

>  <Molecular Weight>
534

>  <Chemical Names>
4-DMD HCl
IDARUBICIN HYDROCHLORIDE
Idarubicin hydrochloride
4-Demethoxydaunorubicin hydrochloride
Daunomycin, 4-demethoxy-, hydrochloride
5,12-Naphthacenedione, 9-acetyl-7-[(3-amino-2,3,6-trideoxy- .alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro- 6,9,11-trihydroxy-, hydrochloride, (7S-cis)-

$$$$
NSC 256942
  CML DOM 10282011392D

 40 43  0  0  0  0  0  0  0  0999 V2000
    0.7500    7.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    5.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    7.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    8.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    5.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    7.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    8.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    5.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    7.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    8.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    5.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    7.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    8.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   10.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6195    7.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5837    8.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1326    6.1227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1549    3.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8559    2.9906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    3.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6657    1.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9648    2.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6783    1.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    4.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    4.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    4.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452   10.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6553    9.2023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0609    8.4209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9774    1.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4154    5.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2252    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6799   11.5427    0.0000 Cl  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 31  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  1  0  0  0  0
  7 30  2  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
  9 14  1  0  0  0  0
 10 19  2  0  0  0  0
 11 12  2  0  0  0  0
 11 33  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
 13 18  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 35  1  6  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 36  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 29  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 39  1  0  0  0  0
 28 37  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <NSC>
256942

>  <CAS>
56390-09-1

>  <PubChem SID>
569372, 92764132

>  <Molecular Formula>
C27H29NO11.ClH

>  <Molecular Weight>
580

>  <Chemical Names>
4'-Epiadriamycin
Pidorubicin hydrochloride
4'-epi-Adriamycin hydrochloride
Epirubicin
5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride
5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S-cis)-

$$$$
NSC 266046
  CML DOM 10282011392D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -5.7636   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7636   -5.9177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1535   -2.1203    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -5.1535   -4.5474    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.8544   -5.2974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8544   -1.3703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2718   -3.3339    0.0000 Pt  0  2  0  0  0  0  0  0  0  0  0  0
   -3.3901   -4.5474    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.3901   -2.1203    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.9635   -4.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9635   -2.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -4.9655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.7022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1781   -2.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1781   -4.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8791   -4.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5801   -4.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5800   -2.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8791   -1.8339    0.0000 C   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  6  1  0  0  0  0
  3  7  1  0  0  0  0
 18  3  1  1  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
 17  4  1  6  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 11  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 19  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
M  CHG  5   3   1   4   1   7   2   8  -1   9  -1
M  END
>  <NSC>
266046

>  <CAS>
61825-94-3

>  <PubChem SID>
569872

>  <Molecular Formula>
C8H14N2O4Pt

>  <Molecular Weight>
397

>  <Chemical Names>
Oxaliplatin
Eloxatin
Dacotin
Oxalatoplatin
Oxalatoplatinum
1,2-Cyclohexanediamine, platinum complex, (1R-trans)-
1-OHP
DACPLAT
RP 54780
Platinum, [(1R,2R)-1,2-cyclohexanediamine-.kappa.N, .kappa.N'][ethanedioato(2-)-.kappa.O1,.kappa.O2]-,(SP-4-2)-

$$$$
NSC 279836
  CML DOM 10282011392D

 32 34  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
    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
    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
   11.1423    3.0000    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
   12.4414    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
   13.7404    3.0000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    1.5000    0.0000 O   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
    7.2452    0.7500    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
    2.0490    8.2500    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
    2.0490    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    1.5000    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
    0.7500    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    8.2500    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
  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
  3 29  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 10  1  0  0  0  0
  6 30  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
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 25  1  0  0  0  0
 17 19  1  0  0  0  0
 17 30  1  0  0  0  0
 18 22  1  0  0  0  0
 18 29  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 20 31  1  0  0  0  0
 21 27  1  0  0  0  0
 22 32  1  0  0  0  0
 23 24  1  0  0  0  0
 23 32  1  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <NSC>
279836

>  <CAS>
65271-80-9

>  <PubChem SID>
142727, 92763439

>  <Molecular Formula>
C22H28N4O6

>  <Molecular Weight>
444

>  <Chemical Names>
Mitoxantrone
Mitozantrone
Novantrone
DHAQ
Dihydroxyanthraquinone
Mitoxantrone (free base)
9,10-Anthracenedione, 1,4-dihydroxy-5,8-bis[[2-[(2-hydroxyethyl)amino]ethyl] amino]-
Mitroxone
Mitoxantrone hydrochloride

$$$$
NSC 296961
  CML DOM 10282011392D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -5.4822   -7.2452    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9822   -7.2452    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9822   -5.7452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9823   -2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4823   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7322   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7322   -5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2322   -5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4822   -4.6471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9822   -8.7452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4822   -7.2452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7323   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  4  5  1  0  0  0  0
  4 12  1  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
  7  9  1  0  0  0  0
M  END
>  <NSC>
296961

>  <CAS>
20537-88-6

>  <PubChem SID>
147094

>  <Molecular Formula>
C5H15N2O3PS

>  <Molecular Weight>
214

>  <Chemical Names>
Amifostine
Ethyol
Ethiofos
Aminopropylaminoethyl thiophosphate
2-(3-Aminopropylamino)ethyl thiophosphate
S-(2-(3-Aminopropylamino)ethyl) phosphorothioate
S-[2-(3-Aminopropylamino)ethyl] phosphorothioate
S-[2-[(3-Aminopropyl)amino]ethyl] dihydrogen phosphorothioate
SAPEP
WR 2721C

$$$$
NSC 312887
  CML DOM 10282011392D

 24 26  0  0  0  0  0  0  0  0999 V2000
    5.5351   11.0871    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2360   13.3371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9370   11.0871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8923    7.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6788    9.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9370   14.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6379   13.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6379   11.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2360   11.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2522    9.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6295    8.7334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2522    7.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6788    7.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7355    5.6100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9490    4.7283    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8307    5.9418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9370   15.5871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2114    6.0933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8705    8.7334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2114   13.8006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6703   12.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2114   11.3735    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1625    3.8466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0673    3.5148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  6  2  0  0  0  0
  2  9  1  0  0  0  0
  3  9  2  0  0  0  0
  3  8  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  7 20  1  0  0  0  0
  8 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  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 23  1  0  0  0  0
 15 24  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
312887

>  <CAS>
75607-67-9

>  <PubChem SID>
455602

>  <Molecular Formula>
C10H13FN5O7P

>  <Molecular Weight>
365

>  <Chemical Names>
Fludarabine phosphate
Beneflur
Fludara
9H-Purin-6-amine, 2-fluoro-9-(5-O-phosphono-.beta.-D-arabinofuranosyl)-

$$$$
NSC 362856
  CML DOM 10282011392D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -6.0018    0.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9903   -1.4404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6855   -2.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3923   -1.4205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4038    0.0795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7086    0.8195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4319    0.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3042   -0.7082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4132   -1.9149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9064    1.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9113    3.0574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6739   -3.6804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3760    2.2356    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875   -2.1604    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  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  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
  7  8  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 13  1  0  0  0  0
M  END
>  <NSC>
362856

>  <CAS>
85622-93-1

>  <PubChem SID>
465959, 99355753

>  <Molecular Formula>
C6H6N6O2

>  <Molecular Weight>
194

>  <Chemical Names>
Temozolomide
Methazolastone
Temodar
Temodal
TMZ
Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide, 3,4-dihydro-3-methyl-4-oxo-

$$$$
NSC 369100
  CML DOM 10282011392D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.7131    1.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7131   -0.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0122   -0.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3112   -0.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3112    1.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0121    2.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6102    2.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6102    3.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3112    4.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0121    3.6270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0368    1.6635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9185    2.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0368    4.0905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3112    5.8770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5003    0.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9676   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4311   -1.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9713    1.0397    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  7  1  0  0  0  0
  6 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
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <NSC>
369100

>  <CAS>
99011-02-6

>  <PubChem SID>
48426262

>  <Molecular Formula>
C14H16N4

>  <Molecular Weight>
240

>  <Chemical Names>
Imiquimod
Aldara
1H-Imidazo[4,5-c]quinolin-4-amine, 1-(2-methylpropyl)-

$$$$
NSC 409962
  CML DOM 10282011392D

 12 11  0  0  0  0  0  0  0  0999 V2000
    0.7500    2.2500    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
    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 N   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
    9.8433    3.0000    0.0000 C   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
    3.3481    5.2500    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
    7.2452    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    2.2500    0.0000 Cl  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
  4  8  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  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  9  2  0  0  0  0
M  END
>  <NSC>
409962

>  <CAS>
154-93-8

>  <PubChem SID>
479311

>  <Molecular Formula>
C5H9Cl2N3O2

>  <Molecular Weight>
214

>  <Chemical Names>
Carmustine
Bi CNU
BCNU
Bis(chloroethyl)nitrosourea
1,3-Bis(2-chloroethyl)nitrosourea
N,N'-Bis(2-chloroethyl)-N-nitrosourea
Nitrumon
Carmustin
Carmubris
Bis(2-chloroethyl)nitrosourea

$$$$
NSC 606869
  CML DOM 10282011392D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.8924   -2.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5641   -2.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4909   -1.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1561   -0.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6403   -0.6400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2369   -2.7838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9696   -1.5152    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3470   -4.2996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4593    0.9055    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0249    1.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2771    2.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0513    3.2980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1244    2.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1794    0.1649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5860    0.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8382    2.1645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6837    3.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7405   -0.2719    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9359    4.6008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3331   -4.2807    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  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  9  1  0  0  0  0
  6 20  1  0  0  0  0
  9 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 17  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
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <NSC>
606869

>  <PubChem SID>
484621

>  <Molecular Formula>
C10H11ClFN5O3

>  <Molecular Weight>
304

>  <Chemical Names>
Clofarabine
Clolar
Clofarex
Adenosine, 2-chloro-2'-deoxy-2'-fluoro-
CAFdA
Adenine, 2-chloro-9-(2-deoxy-2-fluoro-.beta.-D-arabinofuranosyl)-

$$$$
NSC 608210
  CML DOM 10282011392D

 60 68  0  0  0  0  0  0  0  0999 V2000
   -5.4574    1.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7654    2.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2858    2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0635    1.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5719    4.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0704    3.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7625    2.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9560    1.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8573    0.1443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9656    1.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9107    3.9480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3941    3.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5178    1.5728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6913    2.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4690    3.9906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0731    4.5397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4056    0.3661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2955    3.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1166    0.1975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2041   -4.6882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8389   -4.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0081   -2.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4778   -2.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2170   -3.5819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8019   -1.6847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4265   -2.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2574   -3.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4636   -4.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4563   -4.8746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9563   -4.8622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2171   -3.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9779   -2.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7172   -3.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9780   -2.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7387   -0.9466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2387   -0.9590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3253   -4.7880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8780   -0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5853   -0.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7171   -3.5694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5038   -6.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8615   -5.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1956   -6.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9619   -5.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1179   -4.3726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7490   -1.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1836   -6.3497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6425    4.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0384    4.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4619   -5.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3241   -3.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2394   -0.8928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1503   -2.4372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1311   -2.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0185   -4.4447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1097   -6.8787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5150   -7.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9348   -7.4602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1741   -8.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4347   -7.4726    0.0000 O   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
  1 17  1  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 12  1  0  0  0  0
  4  9  1  0  0  0  0
  4 17  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
  9 10  1  0  0  0  0
  9 26  1  6  0  0  0
  9 46  1  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
 11 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  6  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 48  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 20 41  1  0  0  0  0
 21 22  2  0  0  0  0
 21 28  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
 23 32  1  0  0  0  0
 23 38  1  1  0  0  0
 24 29  1  0  0  0  0
 24 37  1  1  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 45  1  0  0  0  0
 29 30  1  0  0  0  0
 29 47  1  6  0  0  0
 29 42  1  0  0  0  0
 30 31  1  0  0  0  0
 30 43  1  6  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 44  1  1  0  0  0
 32 36  1  0  0  0  0
 32 40  1  1  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 39  1  0  0  0  0
 38 39  1  0  0  0  0
 42 55  2  0  0  0  0
 42 56  1  0  0  0  0
 43 58  1  0  0  0  0
 44 50  1  0  0  0  0
 45 51  1  0  0  0  0
 46 52  1  0  0  0  0
 46 53  2  0  0  0  0
 48 49  1  0  0  0  0
 52 54  1  0  0  0  0
 56 57  1  0  0  0  0
 58 59  1  0  0  0  0
 58 60  2  0  0  0  0
M  END
>  <NSC>
608210

>  <PubChem SID>
485117

>  <Molecular Formula>
C45H54N4O8.2C4H6O6

>  <Molecular Weight>
1079

>  <Chemical Names>
Vinorelbine tartrate
Vinorelbine
Navelbine
Biovelbin
Navelbine ditartrate
Vinorelbine ditartrate

$$$$
NSC 609699
  CML DOM 10282011392D

 32 35  0  0  0  0  0  0  0  0999 V2000
   13.7317    4.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7317    6.0772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4327    6.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1336    6.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1336    4.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4327    3.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5356    6.0772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5355    4.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8346    3.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1090    4.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2273    5.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1090    6.5407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7355    5.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1254    3.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0071    2.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4988    2.7434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6336    3.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0235    2.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9052    1.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3970    1.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0307    3.8272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3969    2.6781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4685    2.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9913    2.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8346    8.3272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8346    6.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7519    4.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3620    6.2272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5317    2.1162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4804    7.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8538    6.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0902    9.5470    0.0000 Cl  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 21  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 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6 22  1  1  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  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
 10 11  2  0  0  0  0
 10 16  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
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 17 18  2  0  0  0  0
 17 27  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 19 20  2  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
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <NSC>
609699

>  <CAS>
119413-54-6

>  <PubChem SID>
580652

>  <Molecular Formula>
C23H23N3O5.ClH

>  <Molecular Weight>
458

>  <Chemical Names>
Topotecan hydrochloride
Topotecan
Hycamtin
Hycamptamine
9-Dimethylaminomethyl-10-hydroxycamptothecin, HCl salt
SKF 104864A
SKF-S 104864-A
1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline- 3,14(4H,12H)-dione, 10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-, monohydrochloride, (4S)-

$$$$
NSC 613327
  CML DOM 10282011392D

 19 19  0  0  0  0  0  0  0  0999 V2000
   -3.2224   -8.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0089   -9.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7954   -8.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2589   -7.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7589   -7.4288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2219   -8.3919    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6312   -9.3189    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6490   -9.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3772   -6.2153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1146   -6.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9962   -5.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3861   -3.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1056   -3.6314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9873   -4.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4791   -4.6882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9609  -10.7862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0089  -11.2371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2678   -2.5747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4161   -9.4142    0.0000 Cl  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  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  3  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  9  1  0  0  0  0
  8 16  1  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 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <NSC>
613327

>  <PubChem SID>
486649

>  <Molecular Formula>
C9H11F2N3O4.ClH

>  <Molecular Weight>
300

>  <Chemical Names>
Gemcitabine hydrochloride
Gemcitabine
Gemzar
Difluorodeoxycytidine hydrochloride
dFdCyd
dFdC
LY-188011

$$$$
NSC 616348
  CML DOM 10282011392D

 44 49  0  0  0  0  0  0  0  0999 V2000
  -16.0434   -0.1084    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -16.1185    7.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.1185    5.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8194    4.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5204    5.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5204    7.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8194    7.7585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2214    4.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9223    5.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9223    7.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2214    7.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.5451    7.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.4268    6.2585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -17.5451    5.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.1552    8.8423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.6470    8.9991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.5286    7.7856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.9185    6.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.2571   10.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.7488   10.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.6305    9.3127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -22.0204    7.9424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.8016   10.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.3589   11.8966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.7596    9.6533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.3617   11.8658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -20.8002    5.2018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8194    3.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.1185    2.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6233    4.7585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6233    3.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9223    2.5085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3242    2.5085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3242    1.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0252    0.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7262    1.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7262    2.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0252    3.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4271    0.2585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4271   -1.2415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1281   -1.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8290   -1.2415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8290    0.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1281    1.0085    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
  2 12  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
  4 28  1  0  0  0  0
  5  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
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  2  0  0  0  0
 13 14  1  0  0  0  0
 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
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 27  2  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  6  0  0  0
 19 26  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  2  0  0  0  0
 21 22  1  0  0  0  0
 23 25  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  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
 33 38  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 39  1  0  0  0  0
 37 38  1  0  0  0  0
 39 40  1  0  0  0  0
 39 44  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
M  END
>  <NSC>
616348

>  <PubChem SID>
487652

>  <Molecular Formula>
C33H38N4O6.ClH

>  <Molecular Weight>
623

>  <Chemical Names>
Irinotecan hydrochloride
Irinotecan
Camptosar
Campto
CPT 11
Camptothecin 11
[1,4'-Bipiperidine]-1'-carboxylic acid, 4,11-diethyl-3,4,12, 14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7] indolizino[1,2-b]quinolin-9-yl ester, monohydrochloride (S)-

$$$$
NSC 628503
  CML DOM 10282011392D

 59 64  0  0  0  0  0  0  0  0999 V2000
    3.7164    0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9664   -0.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7164   -1.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2164   -1.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9664   -0.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2164    0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4665   -0.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2165   -1.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4665    1.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9664    1.9907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2165    3.2898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2164    3.2898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7165   -1.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9665   -3.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4665   -0.6074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1538   -1.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8547   -1.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4665   -3.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2165   -4.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6654   -4.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9644   -4.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3527   -2.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6027   -1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0251   -5.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4740   -4.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8622   -3.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8016   -2.3057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4133   -6.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8622   -6.2641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5158   -0.2048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7687   -5.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7165   -4.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7165   -1.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9664    4.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4664    4.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2165    0.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8831   -0.6592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9793   -3.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9537   -3.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9267   -1.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1898   -0.8568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8612   -6.3799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6711   -7.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2853   -6.7190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8669   -8.7803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6769   -9.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8726  -11.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2585  -11.7546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4485  -10.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2527   -9.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4665   -3.2055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4665   -3.2055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0207   -5.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2751   -6.5025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0251   -7.8015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5251   -7.8016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2751   -9.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9580    0.4806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7164    3.2897    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  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 36  1  6  0  0  0
  8 13  1  0  0  0  0
  8 52  1  6  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 36  1  0  0  0  0
 10 12  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 59  1  0  0  0  0
 13 15  2  0  0  0  0
 13 51  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 51  1  6  0  0  0
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
 16 58  1  1  0  0  0
 17 18  1  0  0  0  0
 17 33  2  0  0  0  0
 18 19  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 19 53  1  1  0  0  0
 20 21  1  0  0  0  0
 20 42  1  6  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 21 31  1  6  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 22 40  1  1  0  0  0
 23 30  2  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  0  0  0  0
 24 54  1  6  0  0  0
 25 26  1  0  0  0  0
 25 29  1  1  0  0  0
 26 27  1  0  0  0  0
 27 41  1  1  0  0  0
 28 29  1  0  0  0  0
 33 37  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 43 45  1  0  0  0  0
 45 46  2  0  0  0  0
 45 50  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 54 55  1  0  0  0  0
 55 56  2  0  0  0  0
 55 57  1  0  0  0  0
M  END
>  <NSC>
628503

>  <PubChem SID>
494081

>  <Molecular Formula>
C43H53NO14

>  <Molecular Weight>
808

>  <Chemical Names>
Docetaxel
Taxotere
TXT
RP 56976

$$$$
NSC 683864
  CML DOM 10282011392D

 73 76  0  0  0  0  0  0  0  0999 V2000
   -4.6324   -2.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8235   -3.6305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6305   -4.5398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0983   -4.3160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8790   -2.6081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2484   -1.5643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -5.4429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1009   -6.3305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4726   -6.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9650   -6.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4425   -7.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7931   -6.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2525   -6.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2043   -5.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3831   -4.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3547   -0.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1368    1.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5886    1.7934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8536   -0.0116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6049    2.8189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7839    4.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4607    5.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9584    5.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7793    4.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1026    2.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7123    5.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5599    5.9185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9732    6.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6263    7.8805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2531    7.9411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9552    6.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4614    6.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7885    4.2509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5385    5.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3844    6.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167    8.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3698   10.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9325   10.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5857   12.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6761   13.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1133   12.8593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4602   11.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   14.7479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4406   -1.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4967    0.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2294    1.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6509    3.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9930    0.2698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4196   15.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8568   15.3488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0727   17.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6354   17.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1631   18.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0635   -2.7872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6399    6.3027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5256   -0.7777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4550   16.6366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9643    3.7482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8516   12.6878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1985   14.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6509   -7.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0974   -8.9286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6678    2.0649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7554    1.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7258   18.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0175   -8.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8254   -1.2334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9246   -1.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9154    5.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9914    7.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1890    8.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6385   -4.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6003   17.8382    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 67  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  6  0  0  0
  5  6  1  0  0  0  0
  6 16  1  0  0  0  0
  6 56  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 61  1  1  0  0  0
  9 10  2  0  0  0  0
  9 66  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
 14 15  1  0  0  0  0
 15 54  1  0  0  0  0
 15 72  1  6  0  0  0
 16 17  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  2  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 55  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 32  1  6  0  0  0
 29 36  1  0  0  0  0
 29 71  1  6  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 35  1  0  0  0  0
 33 34  2  0  0  0  0
 33 47  1  0  0  0  0
 33 69  1  0  0  0  0
 34 35  1  0  0  0  0
 35 70  1  6  0  0  0
 37 36  1  1  0  0  0
 37 38  1  0  0  0  0
 37 42  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 59  1  1  0  0  0
 40 41  1  0  0  0  0
 40 43  1  6  0  0  0
 41 42  1  0  0  0  0
 43 49  1  0  0  0  0
 44 45  1  0  0  0  0
 44 54  1  0  0  0  0
 44 68  1  6  0  0  0
 45 46  1  0  0  0  0
 45 48  2  0  0  0  0
 46 47  1  0  0  0  0
 46 63  1  1  0  0  0
 47 58  1  1  0  0  0
 49 50  2  0  0  0  0
 49 51  1  0  0  0  0
 51 52  1  0  0  0  0
 51 53  1  0  0  0  0
 51 65  1  0  0  0  0
 52 57  1  0  0  0  0
 53 73  1  0  0  0  0
 59 60  1  0  0  0  0
 61 62  1  0  0  0  0
 63 64  1  0  0  0  0
M  END
>  <NSC>
683864

>  <PubChem SID>
520036

>  <Molecular Formula>
C56H87NO16

>  <Molecular Weight>
1030

>  <Chemical Names>
CCI-779
WAY-130,779
Temsirolimus
Rapamycin 42-[3-hydroxy-2(hydroxymethyl)-2-methylpropanoate]

$$$$
NSC 701852
  CML DOM 10282011392D

 19 19  0  0  0  0  0  0  0  0999 V2000
    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
   11.1423    3.0000    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
   13.7404    3.0000    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
    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
    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
    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
   15.0394    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6375    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3385    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
  1  2  1  0  0  0  0
  1 14  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 16  2  0  0  0  0
  7 18  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  8 19  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
 17 18  1  0  0  0  0
M  END
>  <NSC>
701852

>  <CAS>
149647-78-9

>  <PubChem SID>
48426290

>  <Molecular Formula>
C14H20N2O3

>  <Molecular Weight>
264

>  <Chemical Names>
Vorinostat
Zolinza
SAHA
Suberoylanilide hydroxamic acid
N-hydroxy-N'-phenyl-octane-1,8-diotic acid diamide
SKI390
WIN64652
L-001079038
Octanediamide, N-hydroxy-N'-phenyl-

$$$$
NSC 702294
  CML DOM 10282011392D

 37 39  0  0  0  0  0  0  0  0999 V2000
    1.3911  -11.4947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1195   -8.9109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6150   -9.8688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1478   -4.9004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6113   -6.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0379   -6.7905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7296   -7.5405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2378   -7.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3723   -9.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0379   -8.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6113   -8.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5094  -10.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0012  -10.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1007  -11.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5925  -11.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2026  -13.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8829  -11.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7810  -12.8650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3209  -14.3921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2728  -12.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1709  -14.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9796   -6.2415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1515   -3.7857    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.1552   -2.6710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2662   -4.7894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0368   -2.7820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9310  -15.7624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4228  -15.9192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0329  -17.2895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3045  -14.7057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5247  -17.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1512  -18.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7613  -19.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2531  -20.0302    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.1348  -18.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6266  -18.9735    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7458  -13.2628    0.0000 Na  0  3  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
  5  4  1  1  0  0  0
  4 23  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 11  1  0  0  0  0
  7 22  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
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 21  2  0  0  0  0
 19 27  1  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
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 31 35  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 35 36  1  0  0  0  0
M  CHG  1  37   1
M  END
>  <NSC>
702294

>  <PubChem SID>
527655

>  <Molecular Formula>
C23H32Cl2NO6P.2Na

>  <Molecular Weight>
566

>  <Chemical Names>
Estramustine phosphate sodium
Estracyt
Emcyte
Estramustine sodium phosphate
Ro 21-8837/001
Leo-299
EM

$$$$
NSC 712807
  CML DOM 10282011392D

 25 26  0  0  0  0  0  0  0  0999 V2000
   -3.6226   -7.7745    0.0000 N   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 N   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   -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
   -3.5371  -12.4062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0735  -13.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5735  -13.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1100  -12.4062    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
   -4.9216  -10.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9552  -15.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745   -7.0245    0.0000 F   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 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
    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
    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
    6.7697   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3166  -11.9427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6919  -15.0463    0.0000 O   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  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  1  0  0  0  0
  2 12  2  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  6  1  0  0  0  0
  5 14  1  0  0  0  0
  6 25  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
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 25  1  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
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
712807

>  <PubChem SID>
531878

>  <Molecular Formula>
C15H22FN3O6

>  <Molecular Weight>
359

>  <Chemical Names>
Capecitabine
Xeloda
CAPE
Ro 09-1978/000

$$$$
NSC 713563
  CML DOM 10282011392D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -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
    2.2231    5.1495    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
    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    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
    6.1202    8.8995    0.0000 C   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
    3.5221    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5468    6.9360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4285    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5468    9.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0103   10.7896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2770   10.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    5.8995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2770    5.9077    0.0000 H   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    4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    8.1495    0.0000 H   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    8.1495    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
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  2  3  1  0  0  0  0
  2 21  2  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  2  0  0  0  0
  7 25  1  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  6  0  0  0
  8 23  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 19  1  6  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 17  1  1  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
 25 22  1  1  0  0  0
 23 24  1  1  0  0  0
M  END
>  <NSC>
713563

>  <PubChem SID>
532118

>  <Molecular Formula>
C20H24O2

>  <Molecular Weight>
296

>  <Chemical Names>
Exemestane
Aromasin
PNU 155971
6-Methylenandrosta-1,4-diene-3,17-dione
FCE-24304

$$$$
NSC 715055
  CML DOM 10282011392D

 31 34  0  0  0  0  0  0  0  0999 V2000
   12.4414    1.5000    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
   11.1423    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
   11.1423    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    0.7500    0.0000 N   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
   15.0394    3.0000    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
   15.0394    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3385    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6375    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6375    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3385    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9365    8.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.9365    5.2500    0.0000 Cl  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
    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
    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 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    6.0000    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
    0.7500    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
    8.5442    0.7500    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
   13.7404    5.2500    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  7  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
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  5 29  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 31  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 11 31  1  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 17  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
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  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
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <NSC>
715055

>  <PubChem SID>
532631

>  <Molecular Formula>
C22H24ClFN4O3

>  <Molecular Weight>
447

>  <Chemical Names>
Gefitinib
Iressa
ZD1839
N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholinopropoxy)quinazolin-4-amine

$$$$
NSC 718781
  CML DOM 10282011392D

 29 31  0  0  0  0  0  0  0  0999 V2000
    4.1717    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1717    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
    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
    8.0688    5.5245    0.0000 N   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
    9.3678    7.7745    0.0000 N   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   10.7745    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
   11.9659   10.7745    0.0000 C   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
   10.6669   13.0245    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
   13.2649   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5640    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    8.5245    0.0000 O   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
    2.8726    5.5245    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    8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    7.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3235    8.5245    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    6.2745    0.0000 O   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
    8.0688   10.0245    0.0000 N   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 19  1  0  0  0  0
  2  3  2  0  0  0  0
  2 21  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 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 29  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  3  0  0  0  0
 19 20  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 22 26  1  0  0  0  0
 23 24  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
M  END
>  <NSC>
718781

>  <PubChem SID>
534851

>  <Molecular Formula>
C22H23N3O4.HCl

>  <Molecular Weight>
430

>  <Chemical Names>
Erlotinib hydrochloride
Tarceva
OSI-744
Erlotinib
CP-358,774
[6,7-Bis(2-methoxy-ethoxy)-quinazolin-4-yl]-(3-ethynyl- phenyl)amine hydrochloride

$$$$
NSC 719276
  CML DOM 10282011392D

 44 47  0  0  0  0  0  0  0  0999 V2000
  -26.7308   -4.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -26.7308   -6.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -25.4317   -7.1402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.1327   -6.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.1327   -4.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -25.4317   -4.1402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.8336   -7.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.5346   -6.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.5346   -4.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.8336   -4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.2356   -4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.2356   -2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.5346   -1.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.8336   -2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.8090   -4.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.9273   -3.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.8090   -2.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.2356   -7.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.9365   -6.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6375   -7.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3384   -6.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -7.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -6.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -7.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -6.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.8336   -5.6401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -21.5346   -3.3901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -20.0788   -5.6319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -20.0788   -1.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.3455   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -28.0298   -7.1402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -7.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -6.3901    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -7.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -4.8901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -6.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -7.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -6.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -5.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0981   -5.0911    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -7.6891    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -4.1401    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -6.3901    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -4.8901    0.0000 F   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 31  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  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  6  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 27  1  1  0  0  0
 10 14  1  0  0  0  0
 10 26  1  6  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 28  1  6  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 29  1  1  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 30  1  1  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
 24 25  1  0  0  0  0
 25 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 40  1  0  0  0  0
 38 41  1  0  0  0  0
 38 39  1  0  0  0  0
 39 42  1  0  0  0  0
 39 43  1  0  0  0  0
 39 44  1  0  0  0  0
M  END
>  <NSC>
719276

>  <PubChem SID>
534986

>  <Chemical Names>
Fulvestrant
Faslodex
ICI 182,780

$$$$
NSC 719344
  CML DOM 10282011392D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -7.2452   -4.5000    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
   -5.9461   -6.7500    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   -4.5000    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
   -8.5442   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0001   -4.5082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4673   -4.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2173   -5.4954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2136   -6.6101    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
   -5.1961   -0.9510    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
   -4.4461   -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
   -4.0981   -8.0490    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
   -2.5981   -8.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -0.7500    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
  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
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  6 15  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
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 19  1  0  0  0  0
 13 22  3  0  0  0  0
 14 15  1  0  0  0  0
 15 17  1  0  0  0  0
 15 16  1  0  0  0  0
 17 21  3  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <NSC>
719344

>  <CAS>
120511-73-1

>  <PubChem SID>
535026

>  <Molecular Formula>
C17H19N5

>  <Molecular Weight>
293

>  <Chemical Names>
Arimidex
ZD1033
ICI D1033
Anastrozole
Arimidex (Zeneca)
.alpha.,alpha.,.alpha.',.alpha.'-tetramethyl-5(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile
ANAS
1,3-Benzenediacetonitrile,.alpha.,alpha.,alpha.',.alpha.'-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-

$$$$
NSC 719345
  CML DOM 10282011392D

 22 24  0  0  0  0  0  0  0  0999 V2000
  -11.1423   -5.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -6.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -7.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -6.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -5.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -4.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -4.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -5.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -6.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -7.5583    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
   -3.3481   -5.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -4.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0317   -2.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9952   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4587   -2.1766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -7.5583    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
  -13.7404   -8.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -8.3083    0.0000 N   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
  2 19  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
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  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 20  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
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 21  3  0  0  0  0
 20 22  3  0  0  0  0
M  END
>  <NSC>
719345

>  <PubChem SID>
535027

>  <Molecular Formula>
C17H11N5

>  <Molecular Weight>
285

>  <Chemical Names>
Letrozole
Femara
LT2
CGS 20267
4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile

$$$$
NSC 719627
  CML DOM 10282011392D

 26 28  0  0  0  0  0  0  0  0999 V2000
  -10.1899    2.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5017    1.4955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3870    0.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9604    0.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6485    2.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7633    3.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3015   -2.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3015   -3.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6005   -4.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8996   -3.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8996   -2.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6006   -1.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6285   -1.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3785    0.2636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8457   -0.0483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0025   -1.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6322   -2.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1367   -1.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2935   -2.6840    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9799    0.2995    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6449   -1.3490    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1986   -4.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3009    5.0812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3046    3.9665    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4193    4.9701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3083    2.8517    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 24  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 15  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
  7 16  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
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  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  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <NSC>
719627

>  <CAS>
169590-42-5

>  <PubChem SID>
535138

>  <Molecular Formula>
C17H14F3N3O2S

>  <Molecular Weight>
381

>  <Chemical Names>
Celecoxib
Celebrex
SC-58635
YM177
Benzenesulfonamide, 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-

$$$$
NSC 721517
  CML DOM 10282011392D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -7.2845    4.5028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5835    3.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2717    2.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7799    2.1287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1698    3.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0299    0.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5049    0.8297    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5049    2.3297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5299   -1.1953    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5299    0.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2308   -1.9453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0049    0.8297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5049   -0.6703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5905   -2.2560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9788   -1.5835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5299    2.3297    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  3  2  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
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 11  2  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
>  <NSC>
721517

>  <CAS>
118072-93-8

>  <PubChem SID>
536160

>  <Molecular Formula>
C5H10N2O7P2

>  <Molecular Weight>
272

>  <Chemical Names>
Zoledronic acid
Zometa
Zoledronate
CPG 42446
(1-Hydroxy-2-imidazol-1-ylethylidene)diphosphonic acid
Phosphonic acid,[1-hydroxy-2-(1H-imidazol-1-yl)ethylidene]bis-

$$$$
NSC 732517
  CML DOM 10282011392D

 33 36  0  0  0  0  0  0  0  0999 V2000
  -19.0661   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -19.0661   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.7671   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.4680   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -16.4680   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.7671   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1690   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1690   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8699   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5709   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5709   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8699   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.3651   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.6642   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8699   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9728   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8160   -5.2418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3488   -5.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5988   -4.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6025   -3.1399    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1070   -4.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4969   -2.7275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7336   -5.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8519   -6.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3601   -6.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -4.8410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6317   -3.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1235   -3.7843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0051   -2.5707    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4620   -7.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2719   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2253   -5.3114    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -22.9632   -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
  1 13  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
  4  7  1  0  0  0  0
  5  6  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
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 13 14  1  0  0  0  0
 14 33  1  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 16 31  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
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 32  1  0  0  0  0
 23 24  2  0  0  0  0
 23 28  1  0  0  0  0
 23 32  1  0  0  0  0
 24 25  1  0  0  0  0
 24 30  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
 28 29  1  0  0  0  0
M  END
>  <NSC>
732517

>  <PubChem SID>
48429642

>  <Molecular Formula>
C22H26ClN7O2S

>  <Molecular Weight>
488

>  <Chemical Names>
Dasatinib
Sprycel
BMS-354825
N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-5-thiazolecarboxamide, monohydrate

$$$$
NSC 733504
  CML DOM 10282011392D

 68 71  0  0  0  0  0  0  0  0999 V2000
   -4.2674   -6.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1172   -7.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083   -6.7693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4496   -5.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5998   -4.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0087   -4.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8793   -3.9044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0241   -2.6721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0760   -1.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1813   -0.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7765    0.9284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1183    2.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4770    3.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4178    4.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9078    4.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5030    3.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    1.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9930    2.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8878    4.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8025    5.7440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2925    5.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1873    6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6773    6.6021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1969   -3.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3696   -0.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7962   -0.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2891   -0.2835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4897    1.0388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7236   -0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4715   -1.7434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3921   -0.5592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5492   -2.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3775   -4.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7103   -3.3490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7029   -1.8280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1100   -2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6433   -8.2682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1261   -8.4948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2576   -9.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6570  -10.2579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5694  -11.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6127  -12.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2009  -13.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2541  -13.9353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1009  -11.4691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0468   -8.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1442   -6.9194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9176   -5.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5243   -8.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3619   -9.8746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3053    1.2164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3087   -0.6214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1947   -0.9562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8392    0.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5735  -13.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9280  -13.7693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3893  -14.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8893  -14.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2824  -13.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7257  -13.2022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7091  -12.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9130  -11.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3299   -9.7339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0353  -15.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2110  -15.5970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4117  -16.4961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0677  -11.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3672   -5.0510    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 37  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  1  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  2  0  0  0  0
  9  8  1  6  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 52  1  6  0  0  0
 12 11  1  1  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
 15 16  1  0  0  0  0
 15 20  1  6  0  0  0
 16 17  1  0  0  0  0
 16 18  1  1  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
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 27 51  1  6  0  0  0
 29 53  2  0  0  0  0
 30 31  1  1  0  0  0
 30 32  1  0  0  0  0
 30 53  1  0  0  0  0
 32 33  1  0  0  0  0
 32 35  1  1  0  0  0
 33 34  2  0  0  0  0
 33 48  1  0  0  0  0
 35 36  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 45  1  0  0  0  0
 41 50  1  1  0  0  0
 42 43  1  0  0  0  0
 42 67  1  1  0  0  0
 43 44  1  0  0  0  0
 44 55  1  0  0  0  0
 55 45  1  6  0  0  0
 46 47  1  0  0  0  0
 46 49  1  6  0  0  0
 46 63  1  0  0  0  0
 47 48  1  0  0  0  0
 48 68  1  6  0  0  0
 53 54  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
 57 65  1  1  0  0  0
 58 59  2  0  0  0  0
 58 64  1  0  0  0  0
 59 60  1  0  0  0  0
 60 61  2  0  0  0  0
 61 62  1  0  0  0  0
 62 63  2  0  0  0  0
 65 66  1  0  0  0  0
M  END
>  <NSC>
733504

>  <PubChem SID>
48430111

>  <Molecular Formula>
C53H83NO14

>  <Molecular Weight>
958

>  <Chemical Names>
Everolimus
Afinitor

$$$$
NSC 737754
  CML DOM 10282011392D

 32 34  0  0  0  0  0  0  0  0999 V2000
  -13.3574    2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3574    0.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0584    0.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7594    0.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7594    2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0584    3.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3328    0.4010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4511    1.6145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3328    2.8280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9511    1.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6565    0.1145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -15.9555    0.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6565   -1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.9555   -2.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.9555   -3.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6565   -4.3855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3574   -3.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3574   -2.1355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7594   -3.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4603   -4.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1613   -3.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1613   -2.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4603   -1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7594   -2.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8622   -1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6122   -5.6845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8622   -4.3855    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5632   -5.1355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1122   -3.0864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0584   -4.3855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8693    4.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0246   -0.2744    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
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  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
  9 31  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  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
 17 30  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 19 30  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 27  1  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
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <NSC>
737754

>  <PubChem SID>
48431568

>  <Molecular Formula>
C21H23N7O2S.HCl

>  <Molecular Weight>
473

$$$$
NSC 741078
  CML DOM 10282011392D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.1422    0.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4558   -1.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4558    0.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8432    0.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1422   -1.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2570   -2.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6469   -3.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1551   -3.5677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8432   -2.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7549   -2.1005    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0539    0.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0539   -1.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3529   -2.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6520   -1.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6520    0.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3529    0.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3529    2.3995    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9510   -2.1005    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8432    2.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4558    3.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4413    2.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7403    3.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0394    2.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7242   -2.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3384    3.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7549    0.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1422    3.1495    0.0000 N   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  2  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  4 19  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 24  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 11 26  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 18  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 19 20  2  0  0  0  0
 19 27  1  0  0  0  0
 21 22  1  0  0  0  0
 21 27  1  0  0  0  0
 22 23  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <NSC>
741078

>  <PubChem SID>
91146061

>  <Molecular Formula>
C17H15BrClFN4O3

>  <Molecular Weight>
457

$$$$
NSC 743414
  CML DOM 10282011392D

 37 41  0  0  0  0  0  0  0  0999 V2000
  -15.8630  -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  -12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2649  -11.5245    0.0000 N   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   -9.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5639  -13.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.8630  -14.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.8630  -16.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5639  -16.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2649  -16.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2649  -14.5245    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  -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
   -8.0687  -11.5245    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
   -9.3678   -9.2745    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
   -5.4706  -11.5245    0.0000 O   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
   -2.8726  -10.0245    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
   -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
   -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 N   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
    2.3236  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   -9.2745    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   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -9.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9658   -9.2745    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
    4.9216  -10.0245    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
  5 35  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
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  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 34  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 34  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
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 33  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 37  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <NSC>
743414

>  <CAS>
152459-95-5, 152459-95-5

>  <PubChem SID>
91146949

>  <Molecular Formula>
C29H31N7O

>  <Molecular Weight>
493

>  <Chemical Names>
Imatinib mesylate
Gleevec
Glivec
Imatinib
STI571
CGP 57148
4-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-phenyl]benzamide

$$$$
NSC 745750
  CML DOM 10282011392D

 40 44  0  0  0  0  0  0  0  0999 V2000
    9.8572   10.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8572    9.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1563    8.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4553    9.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4553   10.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1563   11.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7544    8.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0534    9.0985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0534   10.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7544   11.3485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1879    8.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1842    7.8439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9342    6.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4014    6.8567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0534    6.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0534    4.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3524    3.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6515    6.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3524    6.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3524    2.3485    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   17.6515    4.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9505    3.8485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2496    4.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5486    3.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5486    2.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8476    1.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1467    2.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1467    3.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8476    4.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4457    4.5985    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3241    5.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2222    3.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7304    3.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1203    2.1203    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4906    1.5102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5102    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.7304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7544    6.8485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8323    5.0178    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5582    8.3485    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
  2  3  2  0  0  0  0
  2 40  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 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 40  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 31  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 19  2  0  0  0  0
 18 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
 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
 28 30  1  0  0  0  0
 31 39  1  0  0  0  0
 32 33  1  0  0  0  0
 32 39  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  2  0  0  0  0
 34 37  1  0  0  0  0
M  END
>  <NSC>
745750

>  <PubChem SID>
91147938

>  <Molecular Formula>
C29H26ClFN4O4S

>  <Molecular Weight>
581

>  <Chemical Names>
Lapatinib free base
Tykerb
Lapatinib
GW 572016
N-(3-Chloro-4-{[(3-fluorophenyl)methyl]oxy}phenyl)-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)-2-furanyl]-4-quinazolinamine

$$$$
NSC 747599
  CML DOM 10282011392D

 39 43  0  0  0  0  0  0  0  0999 V2000
  -11.3319  -14.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0329  -15.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7339  -14.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7339  -13.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0329  -12.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3319  -13.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6310  -12.6224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7878  -11.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2550  -10.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0050  -12.1178    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0013  -13.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1358  -13.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1358  -14.8724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8368  -12.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5377  -13.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2387  -12.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5377  -10.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8368  -11.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3594  -12.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6584  -13.3724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9575  -12.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9575  -11.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6584  -10.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3594  -11.1224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6584   -8.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9575   -8.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9575   -6.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6584   -5.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3594   -6.6224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3594   -8.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4348  -12.6224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0329  -17.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3319  -17.8724    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7339  -17.8724    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0329  -18.6224    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9396  -13.3724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8651   -9.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2387  -11.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9397  -10.3724    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 32  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 31  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 11  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 37  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
 12 31  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 36  1  0  0  0  0
 16 38  2  0  0  0  0
 17 18  2  0  0  0  0
 17 38  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 19 36  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
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <NSC>
747599

>  <CAS>
641571-10-0, 641571-10-0

>  <PubChem SID>
91148446

>  <Molecular Formula>
C28H22F3N7O

>  <Molecular Weight>
529

>  <Chemical Names>
Nilotinib
Tasigna
AMN107
Benzamide, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-

$$$$
NSC 747971
  CML DOM 10282011392D

 32 34  0  0  0  0  0  0  0  0999 V2000
   15.0394    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3385    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6375    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6375    6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3385    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394    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
    9.8433    4.5000    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    4.5000    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
   11.1423    6.7500    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
    2.0490    4.5000    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    4.5000    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    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.7500    0.0000 Cl  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    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9365    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9365    2.2500    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
    1.8481    2.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8481    2.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   20.2356    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    6.7500    0.0000 N   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
   20.2356    4.5000    0.0000 N   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 22  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  7 30  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
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 31  1  0  0  0  0
 20 21  2  0  0  0  0
 20 30  1  0  0  0  0
 20 31  1  0  0  0  0
 23 24  2  0  0  0  0
 23 32  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <NSC>
747971

>  <PubChem SID>
91148447

>  <Molecular Formula>
C21H16ClF3N4O3

>  <Molecular Weight>
464

>  <Chemical Names>
Sorafenib tosylate
Nexavar
Sorafenib
BAY 43-9006 (free base)
BAY 54-9085 (tosylate salt)
N-(4-chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcar bamoyl)-4-pyridyloxy)phenyl)urea
4(4-{3-[4-Chloro-3-(trifluoromethyl)phenyl]ureido}phenoxy)-N(sup 2)-methylpyridine-2-carboxamide
SFN

$$$$
NSC 747972
  CML DOM 10282011392D

 19 21  0  0  0  0  0  0  0  0999 V2000
  -11.6563   -2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6563   -4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3573   -4.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0583   -4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0583   -2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3573   -1.8901    0.0000 C   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
   -6.7500   -3.3901    0.0000 N   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
   -7.1681   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -4.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -4.6892    0.0000 C   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
   -4.5000   -2.0911    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
   -0.7500   -3.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3573   -6.3901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -0.7920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -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  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 17  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  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  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
 12 13  1  0  0  0  0
 13 16  2  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
M  END
>  <NSC>
747972

>  <CAS>
191732-72-6, 191732-72-6

>  <PubChem SID>
91148448

>  <Molecular Formula>
C13H13N3O3

>  <Molecular Weight>
259

>  <Chemical Names>
Lenalidomide
Revlimid
CC-5013
3-(7-Amino-3-oxo-1H-isoindol-2-yl)-piperidine-2,6-dione
2,6-Piperidinedione, 3-(4-amino-1,3-dihydro-1-oxo-2H-isoindol-2-yl)-

$$$$
NSC 747973
  CML DOM 10282011392D

 35 37  0  0  0  0  0  0  0  0999 V2000
    5.0266   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9083   -2.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3349   -1.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3348   -0.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9083    0.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6339   -2.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9329   -1.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6339    0.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2320   -2.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5310   -1.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5310   -0.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2320    0.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9576   -2.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9576    0.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6339    1.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3348    2.7188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9329    2.7188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3348    4.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5484    5.1005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0848    6.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5848    6.5271    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1213    5.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9665    7.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2319    1.9688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4211   -3.6713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8393   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9540   -2.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9540   -0.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4165    0.3391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7275   -1.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9329   -0.2812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4211    1.6090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3742   -0.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9329   -3.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2320   -4.0312    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 29  1  1  0  0  0
  1 30  1  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
  4  8  1  0  0  0  0
  5 29  1  1  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  7 34  1  6  0  0  0
  8 15  1  1  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  1  0  0  0
 10 13  1  0  0  0  0
 10 33  1  1  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 24  2  0  0  0  0
 12 31  1  0  0  0  0
 13 25  2  0  0  0  0
 13 26  1  0  0  0  0
 14 26  1  0  0  0  0
 14 32  1  6  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  1  0  0  0  0
 18 22  2  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <NSC>
747973

>  <CAS>
219989-84-1, 219989-84-1

>  <Molecular Formula>
C27H42N2O5S

>  <Molecular Weight>
506

>  <Chemical Names>
Ixabepilone
Ixempra
Azaepothilone B
BMS-247550
7-Oxa-4-azabicyclo[14.1.0]heptadecane -5,9-dione, 7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-, (1S,3S,7S,10R,11S,12S,16R)-

$$$$
NSC 747974
  CML DOM 10282011392D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -5.9267   -8.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6149   -9.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1883  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0736   -9.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3854   -7.5535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8120   -7.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5818   -9.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9717   -7.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0864   -6.8035    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3533   -7.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8318  -10.4766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6682  -10.4766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5818  -11.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0818  -11.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8318  -13.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0818  -14.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5818  -14.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8318  -13.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8318  -15.6727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3318  -15.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0818  -14.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5818  -14.3737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3318  -13.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8318  -13.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5818  -14.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8318  -15.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3318  -15.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4956   -7.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9591   -6.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4263   -5.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4300   -6.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9665   -8.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4993   -8.6101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8972   -6.5598    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
  1 10  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  9  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 28  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 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
 16 19  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  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  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
 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
 31 34  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <NSC>
747974

>  <CAS>
84449-90-1, 84449-90-1

>  <PubChem SID>
91148450

>  <Molecular Formula>
C28H27NO4S

>  <Molecular Weight>
473

>  <Chemical Names>
Raloxifene hydrochloride
Evista
Raloxifene
LY 139481
Keoxifene
[2-(4-Hydroxyphenyl)-6-hydroxybenzo[b]thien-3-yl][4-(2-(1-piperidinyl)ethoxy)phenyl]methanone
Methanone, [6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]-

$$$$
NSC 749226
  CML DOM 10282011392D

 29 33  0  0  0  0  0  0  0  0999 V2000
    0.2389    5.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2389    4.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5379    3.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8370    4.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8370    5.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5379    6.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1360    3.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4350    4.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4350    5.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1360    6.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7341    6.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7341    7.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4350    8.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1360    7.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1607    5.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0423    7.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1607    8.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8370    7.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8909    9.3280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1360    4.8362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8909    4.8445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4350    7.0862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0601    3.3362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6242    9.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0914   10.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5549   11.4648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5513   12.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0840   12.2677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6205   10.8411    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
  2 23  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 18  1  1  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 11  1  0  0  0  0
  9 22  1  1  0  0  0
 10 14  1  0  0  0  0
 10 20  1  6  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 21  1  6  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 19  1  1  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 24  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
M  END
>  <NSC>
749226

>  <Molecular Formula>
C24H31NO

>  <Molecular Weight>
349

>  <Chemical Names>
Abiraterone
17-(3-Pyridyl)androsta-5,16-dien-3.beta.-ol

$$$$
NSC 750690
  CML DOM 10282011392D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -6.6450   -6.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2551   -7.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1404   -8.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7223   -8.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7260   -7.0021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6531   -9.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1166  -11.2819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1532   -6.5914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1495   -5.4767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6823   -5.7885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5676   -4.7848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0722   -7.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2685   -5.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0305   -4.7848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0305   -3.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2686   -2.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5676   -3.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2686   -1.0348    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8222   -8.4579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2972  -10.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8413   -8.0586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5804   -7.0021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1858   -9.5434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3950   -5.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5838  -11.5937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0473  -13.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5145  -13.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5875  -10.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1240   -9.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  2  0  0  0  0
  1 24  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  2  0  0  0  0
  4 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  7 25  1  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
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 17  1  0  0  0  0
 12 19  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  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
 16 18  1  0  0  0  0
 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>
750690

>  <CAS>
557795-19-4, 557795-19-4

>  <PubChem SID>
91148451

>  <Molecular Formula>
C22H27FN4O2

>  <Molecular Weight>
398

>  <Chemical Names>
Sunitinib (free base)
Sutent (free base)
Sunitinib (free base)
1H-Pyrrole-3-carboxamide, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-
1H-Pyrrole-3-carboxamide,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-

$$$$
NSC 750691
  CML DOM 10282011392D

 34 37  0  0  0  0  0  0  0  0999 V2000
    4.8096    3.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8096    2.3305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1086    1.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4077    2.3305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4077    3.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1086    4.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5105    4.5805    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5106    1.5805    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.7067    0.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4077   -0.6695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4077   -2.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7067   -2.9195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0058   -2.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0058   -0.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3048   -2.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6038   -2.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6038   -0.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3048    0.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9029   -2.9195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2019   -0.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5009    0.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2019   -2.1695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8000   -0.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0990    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9029   -4.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6894   -5.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1529   -6.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6529   -6.7277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1164   -5.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7067    1.5805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9029    0.0805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.3981   -0.6694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.6971    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3981   -2.1694    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
  2  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
  9 30  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
 13 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 17 31  1  0  0  0  0
 25 19  1  6  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 31  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 32  1  0  0  0  0
 25 26  1  0  0  0  0
 25 29  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
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <NSC>
750691

>  <CAS>
439081-18-2

>  <Molecular Formula>
C24H25ClFN5O3

>  <Molecular Weight>
485

>  <Chemical Names>
BIBW2992
Afatinib
Tovok
S1011

$$$$
NSC 753686
  CML DOM 10282011392D

 32 36  0  0  0  0  0  0  0  0999 V2000
  -15.0394   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -4.5000    0.0000 N   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
  -12.4413   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -3.0000    0.0000 N   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
  -16.3385   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6375   -4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3384   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0884   -8.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5884   -8.0491    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 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
   -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
   -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   -5.2500    0.0000 F   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
   -4.6471   -3.0000    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
   -3.3481   -2.2500    0.0000 N   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
   -5.9461   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -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
   -3.3481   -6.7500    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
  1  2  1  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  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
  7  8  2  0  0  0  0
  7  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
 12 13  2  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
 15 20  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
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  2  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
 24 31  1  0  0  0  0
 25 27  2  0  0  0  0
 25 32  1  0  0  0  0
 26 32  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>
753686

>  <CAS>
763113-22-0

>  <Molecular Formula>
C24H23FN4O3

>  <Molecular Weight>
434

>  <Chemical Names>
Olaparib
AZD-2281
AZD 2281
KU 59436
KU-59436
Lynparza
AZD2281
KU59436
O-9201

$$$$
NSC 754143
  CML DOM 10282011392D

 36 37  0  0  0  0  0  0  0  0999 V2000
    8.0706   -0.5449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4943   -0.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4943    1.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2202    2.0830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2616   -1.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6468   -0.8811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0676   -2.9441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8379   -1.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2260    1.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4171    0.2702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4201    2.6693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8052    3.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3382    3.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7648    3.8335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2909    4.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7978    4.9802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8392    1.9554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6972    5.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4625    5.1614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2230   -1.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6438   -3.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9993    4.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4231    5.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6074    5.9891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6854   -1.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0303   -0.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4569   -0.9198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6921   -0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    0.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4029    1.7637    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.1461    2.5825    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.8437    3.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9620    5.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8409    0.6063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2290    3.5811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8373    4.0737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
 25  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  2  0  0  0  0
  3 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  1  0  0  0
  6 34  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 34  1  0  0  0  0
 11 12  2  0  0  0  0
 11 35  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  6  0  0  0
 13 17  1  0  0  0  0
 14 16  2  0  0  0  0
 14 19  1  0  0  0  0
 15 18  1  0  0  0  0
 15 36  1  0  0  0  0
 33 19  1  1  0  0  0
 23 24  2  0  0  0  0
 23 33  1  0  0  0  0
 23 35  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  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <NSC>
754143

>  <CAS>
128517-07-7

>  <Molecular Formula>
C24H36N4O6S2

>  <Molecular Weight>
540

>  <Chemical Names>
Depsipeptide
Antibiotic FR 901228
ROMIDEPSIN
Romidepsin
API0005301
FK228
OXA-12,13-DITHIA-5,8,20,23-TETRAZABICYCLO[8.7.6]TRICOSANE, CYCLIC PEPTIDE DERIV.
(E)-(1S,4S,10S,21R)-7-[(Z)-Ethylidene]-4,21-diisopropyl-2- oxa-12,13-dithia-5,8,20,23- tetraazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone
L-Valine, N-(3-hydroxy-7-mercapto-1-oxo-4-heptenyl)valyl- cysteinyl-2,3-didehydro-2- aminobutanoyl-,.xi.-lactone, cyclic (1.fwdarw.2)-disulfide

$$$$
NSC 754230
  CML DOM 10282011392D

 36 38  0  0  0  0  0  0  0  0999 V2000
    2.0490    3.7500    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    1.5000    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    3.7500    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    1.5000    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
    7.2452    3.7500    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
    9.8433    2.2500    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
    8.5442    4.5000    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
   11.1423    4.5000    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    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    6.7500    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
   15.0394    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9365    4.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9365    6.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6375    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394    8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3384    6.0000    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
    0.7500    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6375    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9365    9.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3384    9.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2356    3.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5346    4.5001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2356    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3384    7.5000    0.0000 H   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
   12.4413    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
  2 27  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
  6 26  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 13  1  0  0  0  0
 12 11  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 31  1  0  0  0  0
 22 23  1  0  0  0  0
 23 25  1  0  0  0  0
 23 28  1  0  0  0  0
 23 34  1  1  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 35 36  3  0  0  0  0
M  END
>  <NSC>
754230

>  <CAS>
146464-95-1

>  <Molecular Formula>
C23H23N7O5

>  <Molecular Weight>
477

>  <Chemical Names>
pralatrexate
Folotyn

$$$$
NSC 754355
  CML DOM 10282011392D

 25 27  0  0  0  0  0  0  0  0999 V2000
  -14.6563   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6563   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3573   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0583   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0583   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3573   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6317   -5.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500   -4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6317   -3.2865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3573   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6563   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0583   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -5.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -5.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -3.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -3.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -5.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -5.7991    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
   -3.0000   -3.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7032   -7.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -3.2010    0.0000 N   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  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  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
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 25  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <NSC>
754355

>  <CAS>
1038915-60-4

>  <Molecular Formula>
C19H20N4O.HCl

>  <Molecular Weight>
356

>  <Chemical Names>
Niraparib
MK-4827 (PARP-1)
MK-4827, HCl salt
CT-MK4827
Niraparib
2H-Indazole-7-carboxamide, 2-[4-(3S)-3-piperidinylphenyl]
2-{4-[(3S)-Piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide

$$$$
NSC 755384
  CML DOM 10282011392D

 32 33  0  0  0  0  0  0  0  0999 V2000
  -10.9532  -12.6196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6413  -14.0868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2147  -14.5503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1000  -13.5466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4119  -12.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6082  -13.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9981  -12.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9028  -16.0176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3797  -12.1561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8582  -15.0025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3582  -15.0025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6082  -13.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1082  -13.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3582  -12.4044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1082  -11.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6082  -11.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3582  -12.4044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3582   -9.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1082   -8.5073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8918   -8.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1418   -9.8063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1418   -7.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1060   -6.0592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8384  -11.6159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1128  -11.3294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5930   -4.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8843   -4.3891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5571   -3.5005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3918   -8.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1418   -7.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1418   -9.8063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5672  -14.1429    0.0000 Na  0  3  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 24  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4  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
  6 10  1  0  0  0  0
  7 25  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
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 21  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 20 29  1  0  0  0  0
 22 23  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
M  CHG  1  32   1
M  END
>  <NSC>
755384

>  <CAS>
357166-30-4

>  <Molecular Formula>
C20H19N5O6.2Na

>  <Molecular Weight>
471

>  <Chemical Names>
Rolazar
Tifolar
Alimta
Pemetrexed, Disodium salt, Heptahydrate
N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid, disodium heptahydrate

$$$$
NSC 755605
  CML DOM 10282011392D

 32 34  0  0  0  0  0  0  0  0999 V2000
   -7.8450   -5.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2153   -6.1554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0586   -7.6472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5913   -7.9590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8413   -6.6600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5332   -4.0780    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1733   -8.6508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5144   -5.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5144   -3.9054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8134   -3.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1125   -3.9054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1125   -5.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8134   -6.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4115   -3.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7105   -2.4054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4115   -6.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1615   -4.8563    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7105   -6.9054    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6615   -7.4544    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3495   -6.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4679   -7.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9761   -7.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3660   -6.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2476   -4.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7394   -5.1329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375   -3.6058    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8742   -6.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2641   -4.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0075   -7.2464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6026   -8.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2210   -8.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0549   -9.3856    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  2  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  2  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5 20  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
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 14 15  3  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  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
 23 27  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <NSC>
755605

>  <CAS>
915087-33-1

>  <Molecular Formula>
C21H16F4N4O2S

>  <Molecular Weight>
464

>  <Chemical Names>
Enzalutamide
MDV-3100
F2175
N-Methyl-4-[3-(4-cyano-3-trifluoromethylphenyl)-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl]-2-fluorobenzamide

$$$$
NSC 755980
  CML DOM 10282011392D

 30 33  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
    4.9216    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
    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
    8.8188    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8187    3.2745    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
    3.6226   -1.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    3.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188   -1.2255    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   -3.4755    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   -3.4755    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
   11.4168   -1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0149   -1.2255    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.3139   -3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3140   -1.9755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9120   -3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4120   -3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6620   -2.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0149   -4.2255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6130   -4.2255    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
    2.3236    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  6  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  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
  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
  7 14  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 30  1  0  0  0  0
 13 29  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
 18 27  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 22 28  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 28  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <NSC>
755980

>  <CAS>
417716-92-8

>  <Molecular Formula>
C21H19ClN4O4

>  <Molecular Weight>
426

>  <Chemical Names>
Lenvatinib
A-13861
E-7080
6-Quinolinecarboxamide, 4-[3-chloro-4-[[(cyclopropylamino)carbonyl]-amino]phenoxy]-7-methoxy-

$$$$
NSC 755985
  CML DOM 10282011392D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.9599    6.6459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7463    5.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2099    4.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7099    4.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1734    5.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3198    6.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6000    6.2277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8135    5.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0270    6.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5635    7.6543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0635    7.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9703    3.8543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3406    3.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542    4.1259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3974    5.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4974    1.7524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2050    5.2240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3282    3.1241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6109    6.4993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9812    5.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5916    3.1241    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
  2  3  1  0  0  0  0
  2  6  1  1  0  0  0
  3  4  1  0  0  0  0
  3 18  1  6  0  0  0
  4  5  1  0  0  0  0
  4 21  1  1  0  0  0
  5  7  1  1  0  0  0
  6 17  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
  9 15  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
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <NSC>
755985

>  <CAS>
121032-29-9

>  <Molecular Formula>
C11H15N5O5

>  <Molecular Weight>
297

>  <Chemical Names>
Nelarabine
Nelarabine
Arranon
S1213

$$$$
NSC 755986
  CML DOM 10282011392D

 27 29  0  0  0  0  0  0  0  0999 V2000
  -16.3385   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3385   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -6.0000    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
  -13.7404   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -3.0000    0.0000 N   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   -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
  -11.1423   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -0.7500    0.0000 Cl  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 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -1.5000    0.0000 O   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
   -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
   -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 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -4.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7990   -7.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -6.0000    0.0000 S   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
  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  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
  9 15  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
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 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
 20 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <NSC>
755986

>  <CAS>
879085-55-9

>  <Molecular Formula>
C19H14Cl2N2O3S

>  <Molecular Weight>
421

>  <Chemical Names>
Vismodegib
Vismodegib, free base
GDC-0449
V-4050
2-Chloro-N-(4-chloro-3-(2-pyridl)phenyl)-4-(methylsulfonyl)benzamide

$$$$
NSC 756644
  CML DOM 10282011392D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -9.3031   -7.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5758   -8.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0951   -9.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5932  -10.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6687   -9.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3541   -6.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6779   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9507   -6.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8996   -7.5928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9793   -8.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1255   -6.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5655  -10.0905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2745   -5.3883    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9192   -5.5680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6255   -6.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8755   -8.1398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3755   -8.1398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6255   -6.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3755   -5.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8755   -5.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1255   -6.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1245   -5.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3755   -5.5418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0924  -10.9096    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 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3 12  2  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  5 10  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
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
 10 11  2  0  0  0  0
 11 14  1  0  0  0  0
 11 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
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 23  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <NSC>
756644

>  <CAS>
459868-92-9

>  <Molecular Formula>
C19H18FN3O.H3PO4

>  <Molecular Weight>
421

>  <Chemical Names>
Rucaparib phosphate
PF-01367338
AG-014699
A-6053
S1098

$$$$
NSC 756645
  CML DOM 10282011392D

 30 33  0  0  0  0  0  0  0  0999 V2000
    6.2062   12.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7062   12.2434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9562   10.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7062    9.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2062    9.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9562   10.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4562   10.9444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2062    9.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4562    8.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7062    9.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4562    8.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9562    8.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7062    9.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9562   10.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4562   10.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7062   12.2434    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7063    7.0473    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9562   13.5425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7062   12.2434    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9562    8.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4645    8.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1526    6.7223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4516    5.9723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5663    6.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7823    6.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4313    6.9939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8016    6.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7449    4.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6255    4.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9584    4.8920    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 18  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 20  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
  8 10  1  1  0  0  0
  8  9  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
 11 17  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
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 20 21  2  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
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 25 29  1  0  0  0  0
 26 27  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <NSC>
756645

>  <CAS>
877399-52-5

>  <Molecular Formula>
C21H22Cl2FN5O

>  <Molecular Weight>
450

>  <Chemical Names>
PF-2341066
Crizotinib
Xalkori
S1068

$$$$
NSC 756655
  CML DOM 10282011392D

 28 29  0  0  0  0  0  0  0  0999 V2000
  -13.7404   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -8.2500    0.0000 N   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
  -11.1423   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -5.2500    0.0000 N   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   -3.7500    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
   -5.9461   -6.0000    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
   -5.9461   -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
   -2.0490   -5.2500    0.0000 B   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
   -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
   -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
   -5.9462   -1.5000    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
   -4.6471   -5.2500    0.0000 N   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
   -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 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
  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  2  0  0  0  0
  7 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  1  0  0  0
  9 23  1  0  0  0  0
 10 12  2  0  0  0  0
 10 24  1  0  0  0  0
 11 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  6  0  0  0
 13 24  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  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>
756655

>  <CAS>
179324-69-7

>  <Molecular Formula>
C19H25BN4O4

>  <Molecular Weight>
384

>  <Chemical Names>
Bortezomib
Velcade
S1013
B1875

$$$$
NSC 757439
  CML DOM 10282011392D

 40 43  0  0  0  0  0  0  0  0999 V2000
    8.8187    4.7745    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
   10.1178    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4168    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4168    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
   12.7159    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0149    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0149    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7159    5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197    5.5245    0.0000 O   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    0.2745    0.0000 O   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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3139    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0149    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0149   -1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3139   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6130   -1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6130    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3140    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9120    1.0245    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   17.9120   -1.9755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2111   -1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5101   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5101   -3.4755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.8091   -4.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1082   -3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1082   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8091   -1.2255    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
    2.3236    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6130    1.7745    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
   12.7159    1.0245    0.0000 N   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 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 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2 37  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
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  2  0  0  0  0
 11 39  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 37  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 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  3  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 19 38  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 26  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  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
 39 40  1  0  0  0  0
M  END
>  <NSC>
757439

>  <CAS>
698387-09-6

>  <Molecular Formula>
C30H29ClN6O3

>  <Molecular Weight>
557

>  <Chemical Names>
Neratinib
Nerlynx
HKI-272
N-6404

$$$$
NSC 757441
  CML DOM 10282011392D

 28 31  0  0  0  0  0  0  0  0999 V2000
  -12.7579   -8.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7579   -9.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4588  -10.4818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1598   -9.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1598   -8.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4588   -7.4818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4588  -11.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7579  -12.7318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1598  -12.7318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8608  -11.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8608  -10.4818    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5617   -9.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2627  -10.4818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9637   -9.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9637   -8.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2627   -7.4818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5617   -8.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6554   -8.9818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5371   -7.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5371  -10.1953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0735   -6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6063   -6.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1428   -4.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3244   -4.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7880   -2.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2157   -1.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6829   -2.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1465   -3.4885    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  7  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
  7  8  2  0  0  0  0
  7  9  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 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 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
 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
M  END
>  <NSC>
757441

>  <CAS>
319460-85-0

>  <Molecular Formula>
C22H18N4OS

>  <Molecular Weight>
386

>  <Chemical Names>
AG-013736
Axitinib
S1005

$$$$
NSC 758246
  CML DOM 10282011392D

 37 41  0  0  0  0  0  0  0  0999 V2000
   -5.3243   10.2780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3243    8.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0253    8.0280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7262    8.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7262   10.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0253   11.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4272    8.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1281    8.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1281   10.2780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4272   11.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6233    8.0280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0253   12.5280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4272    6.5280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1709    8.0280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1709   11.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0253    6.5280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3243    5.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3243    4.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0253    3.5280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7262    4.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7262    5.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1281   13.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1709   12.5280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4699   13.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4699   14.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1709   15.5280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1281   14.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4272   15.5280    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690   15.5280    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1281    4.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1281    5.7780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1709    3.5280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6233   11.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3733   12.3271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1233   11.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4272   12.5280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4272    3.5280    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 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  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  7  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6 12  2  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
  8 14  2  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 36  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
 20 37  1  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 22 36  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 29  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 30 37  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <NSC>
758246

>  <CAS>
871700-17-3

>  <Molecular Formula>
C26H23FIN5O4

>  <Molecular Weight>
615

>  <Chemical Names>
GSK-1120212
Trametinib
Mekinist
A-1083
G1357
N-(3-{3-Cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl}phenyl)acetamide GENERAL

$$$$
NSC 758247
  CML DOM 10282011392D

 33 37  0  0  0  0  0  0  0  0999 V2000
  -13.7404   -3.7500    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
  -12.4413   -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
  -11.1423   -3.7500    0.0000 N   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
  -15.0394   -3.0000    0.0000 N   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
  -16.3385   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6375   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3385   -3.7500    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
   -7.2452   -6.0000    0.0000 N   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
   -5.9461   -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
   -8.5442   -3.7500    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
   -3.3481   -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
   -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
   -4.6471   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8606   -8.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3971   -9.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -9.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4336   -8.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -6.0000    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   -3.7500    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
   -9.8433   -6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6375   -1.5000    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  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
  4 32  1  0  0  0  0
  5  6  2  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 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 12 32  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
 15 21  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 28  2  0  0  0  0
 20 21  2  0  0  0  0
 20 29  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 27  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
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <NSC>
758247

>  <CAS>
571190-30-2

>  <Molecular Formula>
C24H29N7O2

>  <Molecular Weight>
447

>  <Chemical Names>
Palbociclib
PD-0332991
PD0332991
Ibrance
CS-0019
A-1030

$$$$
NSC 758252
  CML DOM 10282011392D

 52 55  0  0  0  0  0  0  0  0999 V2000
    3.0716    7.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8253    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0716    5.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4234    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7224    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4234    9.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7224    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4234    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1243    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8253    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8253    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1243    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4234    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3205    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6195    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3205    6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6195    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3205   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2176    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5166    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2176    9.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5166    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2176    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2176    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9186    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9186    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2176    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5166    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5166    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1147    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4138    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1147    6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7128    7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.7128    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0118    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3109    6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3109    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0118    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8157    8.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9186    7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0214    8.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1243    7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3205   12.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8253   10.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5263   11.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2856    9.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5263   12.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7726    7.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2953    8.2480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8084    6.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2272   10.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0214    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  3  2  0  0  0  0
  1 48  1  0  0  0  0
  2 42  1  0  0  0  0
  2 44  1  6  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 42  1  0  0  0  0
  5  7  1  1  0  0  0
  5 41  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  1  0  0  0  0
 14 16  2  0  0  0  0
 14 41  1  0  0  0  0
 15 17  1  6  0  0  0
 15 40  1  0  0  0  0
 17 18  1  0  0  0  0
 18 43  1  0  0  0  0
 18 52  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 40  1  0  0  0  0
 20 22  1  1  0  0  0
 20 39  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  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
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 30 39  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 38  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 44 45  1  0  0  0  0
 45 47  1  0  0  0  0
 45 51  1  0  0  0  0
 48 46  1  6  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 49 50  1  0  0  0  0
M  END
>  <NSC>
758252

>  <CAS>
868540-17-4

>  <Molecular Formula>
C40H57N5O7

>  <Molecular Weight>
719

>  <Chemical Names>
Carfilzomib
Kyprolis
CT-CARF
A-1098
PR-171

$$$$
NSC 758253
  CML DOM 10282011392D

 40 44  0  0  0  0  0  0  0  0999 V2000
   -2.2189   -1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9893   -3.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5907   -3.9079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5782   -2.9679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3485   -1.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500   -0.9433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6997   -1.6437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3851   -2.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3281   -4.0421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8803   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2743   -3.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7106   -1.7236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8605   -0.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3643   -0.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1487   -1.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1874    0.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7732    0.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4236    0.9025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2754    1.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0027    1.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9180   -1.7758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2687    1.8700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5938    1.1669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8651    1.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6474   -0.3321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1902    1.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8115    3.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4616    2.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4864    4.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1077    6.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4328    5.6640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3814    3.3640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5953    5.0420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5401    2.6660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0541    7.8661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3913    6.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7301    4.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7866    1.3528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0580    2.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4079    3.5549    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
  1  7  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
  4 10  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
  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
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  1  0  0  0
 13 18  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 22  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 34  1  1  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 38  1  0  0  0  0
 28 40  2  0  0  0  0
 29 31  1  0  0  0  0
 30 31  1  0  0  0  0
 30 33  1  0  0  0  0
 30 35  1  0  0  0  0
 30 36  1  0  0  0  0
 32 37  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <NSC>
758253

>  <CAS>
26833-87-4

>  <Molecular Formula>
C29H39NO9

>  <Molecular Weight>
545

>  <Chemical Names>
Omacetaxine mepesuccinate
Homoharringtonine
CGX-635
Synribo
H1196
HHT
Cephalotaxine, 3-[4-methyl (2R)-2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate]

$$$$
NSC 758254
  CML DOM 10282011392D

 34 35  0  0  0  0  0  0  0  0999 V2000
  -18.5069   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.5069   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2078   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.9088   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.9088   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2078   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2078   -3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -17.2078   -9.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -14.6098   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6098   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0117   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7126   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7126   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1146   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1146   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8155   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5165   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8155   -9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8155   -4.5000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5165   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2175   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2175   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5165   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8155   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5165   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7402   -4.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7044   -5.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2272   -6.1700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2272   -2.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1914   -1.6809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3107   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4136   -4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6686   -7.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.5695    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  8  1  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
  9 10  2  0  0  0  0
  9 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 32  1  0  0  0  0
 14 15  1  6  0  0  0
 14 19  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 19 20  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
 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
 27 33  1  0  0  0  0
 29 30  2  0  0  0  0
 29 34  1  0  0  0  0
M  END
>  <NSC>
758254

>  <CAS>
1201902-80-8

>  <Molecular Formula>
C20H23BCl2N2O9

>  <Molecular Weight>
517

>  <Chemical Names>
Ixazomib citrate
MLN-9708
MLN9708
Ninlaro
S2181

$$$$
NSC 758487
  CML DOM 10282011392D

 39 43  0  0  0  0  0  0  0  0999 V2000
  -17.1849    2.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.1849    0.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.8858   -0.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5868    0.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5868    2.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.8858    2.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2878   -0.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2878   -1.5979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6897   -0.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6897   -1.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3906   -2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0916   -1.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0916   -0.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3907    0.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7926   -2.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4935   -1.5978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1945   -2.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8955   -1.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8955   -0.0978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1945    0.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4935   -0.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5964    0.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.8858    4.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9887    0.6521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3906   -3.8479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8906   -3.8479    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3906   -5.3478    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8906   -3.8478    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  -15.8858    5.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.8858    7.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6723    8.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1358    9.7104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -16.6358    9.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0994    8.2838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6395   10.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.1068   10.5133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.5703    9.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.5666    7.9720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -18.4839    2.9021    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 39  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
  6 23  1  0  0  0  0
  7  8  2  0  0  0  0
  7 24  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 25  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
 16 17  1  0  0  0  0
 16 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
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 23 29  3  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 34  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 38  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
M  END
>  <NSC>
758487

>  <CAS>
943319-70-8

>  <Molecular Formula>
C29H27F3N6O

>  <Molecular Weight>
532

>  <Chemical Names>
Ponatinib
AP24534
S1490
A3349
Benzamide, 3-(2-imidazo[1,2-b]-pyridazin-3-ylethynyl)-4-methyl-N-[4[(4-methyl-1-piperazinyl)-methyl]-3-(trifluoromethyl)-phenyl]-

$$$$
NSC 758774
  CML DOM 10282011392D

 22 23  0  0  0  0  0  0  0  0999 V2000
  -12.9707   -8.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9707  -10.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6716  -11.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3726  -10.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3726   -8.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6716   -8.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5245  -10.1178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7745   -8.8188    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4755   -9.5688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0245   -7.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5245   -7.5197    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
   -5.5245   -4.9216    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
   -7.7745   -6.2207    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
   -2.5245   -4.9216    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
   -0.2745   -6.2207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2255   -3.6226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -3.6226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0735   -8.0688    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
  5  6  2  0  0  0  0
  5 22  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 22  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
 12 16  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
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 21  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <NSC>
758774

>  <CAS>
414864-00-9

>  <Molecular Formula>
C15H14N2O4S

>  <Molecular Weight>
318

>  <Chemical Names>
Belinostat
PXD101
A-1380

$$$$
NSC 759224
  CML DOM 10282011392D

 31 35  0  0  0  0  0  0  0  0999 V2000
    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 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   -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   -0.2745    0.0000 C   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
    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 N   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    1.2255    0.0000 F   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
    8.8188   -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
   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 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4168    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
    8.8187    1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4168   -3.2745    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
   10.1178   -7.0245    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
   12.7159   -7.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7159   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4168   -4.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0031   -8.0282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6132   -9.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188   -4.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1050   -9.2417    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
  6 11  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  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  2  0  0  0  0
 13 20  1  6  0  0  0
 13 30  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  1  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 22 30  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  1  0  0  0  0
 24 25  2  0  0  0  0
 24 31  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <NSC>
759224

>  <CAS>
870281-82-6

>  <Molecular Formula>
C22H18FN7O

>  <Molecular Weight>
415

>  <Chemical Names>
Idelalisib
CT-CAL101
Idealisib
CAL-101
CAL 101
GS-1101
GS 1101
Zydelig
A-1138
CAL101

$$$$
NSC 760766
  CML DOM 10282011392D

 30 33  0  0  0  0  0  0  0  0999 V2000
   10.1178   -0.4755    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   -2.7255    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
   11.4168    0.2745    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
   15.3139   -1.9755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3139   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0149    0.2745    0.0000 N   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   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3139   -4.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3139   -6.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6130   -7.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9120   -6.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9120   -4.9755    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
    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
    3.6226    1.7745    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
    4.9216   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0149   -7.2255    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   19.2111   -7.2255    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.8187   -2.7255    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
    2.3236    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0149   -4.2255    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 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  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
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  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
 22 29  1  0  0  0  0
 23 24  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <NSC>
760766

>  <CAS>
443913-73-3

>  <Molecular Formula>
C22H24BrFN4O2

>  <Molecular Weight>
475

>  <Chemical Names>
Vandetanib
V-9402

$$$$
NSC 761068
  CML DOM 10282011392D

 37 41  0  0  0  0  0  0  0  0999 V2000
    3.3481    8.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    7.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    6.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    7.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    8.9096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    9.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    6.6596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    7.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    8.9096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    9.6596    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    5.1596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    4.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    2.9096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    2.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    2.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    4.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    5.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    2.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    4.4095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0036    3.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4906    4.7181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394    2.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5264    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0036    1.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4450    4.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9222    3.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8864    5.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3734    6.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8962    6.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9320    5.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3376    7.6444    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.4414    2.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.4808    3.0481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    9.6595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    8.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    6.6595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    7.4095    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 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2 36  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
  7 11  1  0  0  0  0
  8  9  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 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 32  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 18 32  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 33  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
 25 30  1  0  0  0  0
 25 33  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  2  0  0  0  0
 34 35  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <NSC>
761068

>  <CAS>
849217-68-1

>  <Molecular Formula>
C28H24FN3O5

>  <Molecular Weight>
501

>  <Chemical Names>
Cabozantinib
CT-XL184
Cometriq
XL184
C3627

$$$$
NSC 761190
  CML DOM 10282011392D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -7.9625   -6.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9625   -8.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6634   -8.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3644   -8.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3644   -6.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6634   -5.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0653   -5.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7663   -6.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4673   -5.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4673   -4.4073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8596   -8.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2615   -8.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1586   -8.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4577   -8.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.8280   -8.2972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.8317   -9.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6144  -10.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2915   -6.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.7587   -6.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.7624   -7.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.2989   -9.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4997  -11.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1308   -5.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1682   -6.6573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0817  -10.7110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5605   -8.1573    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 12  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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 24  1  0  0  0  0
 11 13  1  0  0  0  0
 11 26  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  2  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 16 21  1  0  0  0  0
 16 25  1  0  0  0  0
 17 22  1  0  0  0  0
 17 25  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
 23 24  1  0  0  0  0
M  END
>  <NSC>
761190

>  <CAS>
404950-80-7

>  <Molecular Formula>
C21H23N3O2

>  <Molecular Weight>
349

>  <Chemical Names>
Panobinostat
NVP-LBH-589
Farydak
LBH-589
P-3703
A-1025
LBH589

$$$$
NSC 761385
  CML DOM 10282011392D

 35 38  0  0  0  0  0  0  0  0999 V2000
   20.1495   -2.9730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3995   -4.2720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.1496   -5.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6496   -5.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3995   -4.2720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6495   -2.9730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8995   -4.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1495   -2.9730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6495   -2.9730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8995   -4.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6495   -5.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1495   -5.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6495   -2.9730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3995   -1.6740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1495   -2.9730    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
    8.8995   -1.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1495   -2.9730    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
   10.3995   -4.2721    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    0.9241    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
    6.6495    2.2231    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
    5.8995    3.5222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3995   -1.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3996   -6.8701    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
    3.6495    4.8212    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8995    3.5221    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6495    2.2231    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.1495   -0.3749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3995   -4.2720    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
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  1  0  0  0
  5  6  1  0  0  0  0
  6 28  1  1  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
 10 35  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
 13 35  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
 16 34  1  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 20  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
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
M  END
>  <NSC>
761385

>  <CAS>
956697-53-3

>  <Molecular Formula>
C26H26F3N3O3

>  <Molecular Weight>
485

>  <Chemical Names>
Sonidegib
LDE-225
LDE225
Odomzo
D3582
N-[6-[(2R,6S)-2,6-Dimethyl-4-morphlinyl]-3-pyridinyl]-2-methyl-4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxamide

$$$$
NSC 761388
  CML DOM 10282011392D

 36 38  0  0  0  0  0  0  0  0999 V2000
  -14.4096   -9.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8115   -9.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7086   -5.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7086   -7.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8115   -4.9846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8115   -3.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4096   -3.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5125   -5.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5125   -7.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1106   -2.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1106  -10.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0173   -7.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4192   -7.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3163   -4.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3163   -5.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0173   -6.4846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4192   -1.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0173   -1.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1202   -4.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1202   -5.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7183   -1.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7182   -8.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2135   -4.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2134   -6.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9144   -7.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6154   -6.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6154   -4.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9144   -4.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3163   -7.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5125   -4.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4096   -4.9846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4096   -7.9846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0173   -3.4846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4192   -6.4846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4192   -3.4846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8115   -7.9846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 32  1  0  0  0  0
  2 11  1  0  0  0  0
  2 36  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 30  1  0  0  0  0
  6 10  1  0  0  0  0
  7 10  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  9 36  1  0  0  0  0
 12 16  1  0  0  0  0
 12 22  1  0  0  0  0
 13 22  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 16 29  1  0  0  0  0
 17 21  1  0  0  0  0
 17 35  1  0  0  0  0
 18 21  1  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
 19 35  1  0  0  0  0
 20 34  1  0  0  0  0
 23 24  2  0  0  0  0
 23 28  1  0  0  0  0
 23 30  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
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <NSC>
761388

>  <CAS>
110078-46-1

>  <Molecular Formula>
C28H54N8

>  <Molecular Weight>
502

>  <Chemical Names>
Plerixafor
API0005282
A-1905

$$$$
NSC 761431
  CML DOM 10282011392D

 33 36  0  0  0  0  0  0  0  0999 V2000
  -13.6976   -5.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6976   -6.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3985   -7.7433    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3985   -4.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7912   -6.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6729   -5.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0995   -5.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0995   -6.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9966   -4.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9966   -3.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2956   -2.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.5947   -3.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.5947   -4.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2956   -5.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.8937   -2.4933    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -9.6729   -7.4568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2094   -3.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2131   -2.4885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7422   -3.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7385   -4.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2712   -4.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8077   -2.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8114   -1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2786   -1.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2823   -0.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2020   -5.8326    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8003   -4.8970    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4884   -6.3642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0619   -6.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -8.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1122   -3.4298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3331   -4.5851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2675   -5.2089    0.0000 N   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
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  2  0  0  0  0
  4  7  2  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 17  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  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
 12 15  1  0  0  0  0
 13 14  2  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
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 26  1  0  0  0  0
 21 22  2  0  0  0  0
 21 33  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
 27 28  1  0  0  0  0
 27 31  2  0  0  0  0
 27 32  2  0  0  0  0
 27 33  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <NSC>
761431

>  <Molecular Formula>
C23H18ClF2N3O3S

>  <Molecular Weight>
489

>  <Chemical Names>
vemurafenib
Zelboraf
PLX4032
RG7204

$$$$
NSC 761432
  CML DOM 10282011392D

 61 66  0  0  0  0  0  0  0  0999 V2000
   18.8227    5.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8227    3.6432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1217    2.8932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4207    3.6432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1217    5.8932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7620    6.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2620    6.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7620    2.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8131    2.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2013    3.6432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7524    3.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3035    2.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2429    3.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7940    3.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6311    5.3763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7333    4.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1216    6.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5704    6.4370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9587    7.8859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8980    8.9465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4491    8.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0609    7.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2238    5.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7749    4.8841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6120    6.7212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7142    5.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1708    2.3441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8717    1.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0610    1.8325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0184    2.1560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3360    7.5897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4228    0.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9357    0.2025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7475   -1.4578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6416   -2.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9663   -3.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3968   -4.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5028   -3.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1781   -1.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3360    1.1967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1024    7.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2653    5.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2620    4.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7013    3.6432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1217    7.3932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4208    8.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0185    6.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6880    7.5897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2008    7.7855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4058    2.0903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2844    4.2116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.4207    5.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1407    4.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2620    2.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2013    5.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0129    5.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6950    0.4731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1893    0.3423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8346   -0.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4578    1.0954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6536    7.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 47  1  1  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2 30  1  6  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
 28  3  1  1  0  0  0
  3 29  1  6  0  0  0
  4 27  1  1  0  0  0
  4 52  1  0  0  0  0
  5 45  1  1  0  0  0
  5 52  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  2  0  0  0  0
  7 48  1  1  0  0  0
  7 55  1  0  0  0  0
  8 40  1  6  0  0  0
  8 54  1  0  0  0  0
  9 54  1  0  0  0  0
  9 11  1  0  0  0  0
 10 43  1  1  0  0  0
 10 44  1  0  0  0  0
 10 54  1  0  0  0  0
 10 55  1  0  0  0  0
 11 12  1  6  0  0  0
 11 53  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
 14 16  1  0  0  0  0
 14 50  1  6  0  0  0
 16 17  1  1  0  0  0
 16 51  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
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 51  1  0  0  0  0
 24 26  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 61  1  0  0  0  0
 27 28  1  0  0  0  0
 29 57  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 32 40  1  0  0  0  0
 34 35  2  0  0  0  0
 34 39  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 45 46  1  0  0  0  0
 48 49  1  0  0  0  0
 53 55  2  0  0  0  0
 53 56  1  0  0  0  0
 54 60  1  1  0  0  0
 57 58  2  0  0  0  0
 57 59  1  0  0  0  0
M  END
>  <NSC>
761432

>  <CAS>
183133-96-2

>  <Molecular Formula>
C45H57NO14

>  <Molecular Weight>
835

>  <Chemical Names>
Cabazitaxel
JEVTANA
XRP6258

$$$$
NSC 761910
  CML DOM 10282011392D

 33 37  0  0  0  0  0  0  0  0999 V2000
   -8.7840   -5.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0830   -6.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0830   -8.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7840   -8.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4849   -8.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4849   -6.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4721  -10.4047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9803  -10.5615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3702   -9.1912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9030   -8.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8993   -9.9940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4321   -9.6822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9685   -8.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9722   -7.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4395   -7.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5013   -7.9437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0378   -6.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4294   -6.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8929   -4.7787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8893   -3.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5780   -3.9758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0415   -5.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1859   -5.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4758  -11.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0123  -12.9460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0160  -14.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4832  -13.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9467  -12.3223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9430  -11.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4139  -12.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8775  -10.5838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4176  -13.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.8848  -12.8133    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  9  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  1  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 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
 13 16  1  0  0  0  0
 14 15  2  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
 24 25  1  0  0  0  0
 24 29  1  0  0  0  0
 25 26  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
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <NSC>
761910

>  <CAS>
936563-96-1

>  <Molecular Formula>
C25H24N6O2

>  <Molecular Weight>
440

>  <Chemical Names>
KIN0000174
PCI-32765
Ibrutinib
(R)-1-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one

$$$$
NSC 763371
  CML DOM 10282011392D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.4188   -3.0055    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4188   -4.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8802   -5.2555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1793   -4.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1793   -3.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8803   -2.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4876   -3.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6059   -2.5420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8803   -0.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0938    0.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6303    1.5527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1303    1.5527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    0.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7514    2.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1413    4.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2432    2.6095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2469    3.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6172    3.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4604    1.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9932    1.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6059   -4.9691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0230    5.3501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9047    6.5636    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 21  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  7 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  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
 12 14  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 15 22  1  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
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 22 23  3  0  0  0  0
M  END
>  <NSC>
763371

>  <CAS>
941678-49-5

>  <Molecular Formula>
C17H18N6

>  <Molecular Weight>
306

$$$$
NSC 763932
  CML DOM 10282011392D

 33 35  0  0  0  0  0  0  0  0999 V2000
    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 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
    4.6471    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
    2.0490    0.7500    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    2.2500    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 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    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
   12.4413    2.2500    0.0000 F   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 O   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
   18.9365    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2356    2.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.4414    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.2356    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4856    6.5490    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   20.9856    3.9509    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   21.5346    6.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3385    4.5000    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
   17.6375    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6375    5.2500    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
  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
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7 33  1  0  0  0  0
  9 33  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
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  2  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 18 28  1  0  0  0  0
 20 22  1  0  0  0  0
 20 21  1  0  0  0  0
 20 31  2  0  0  0  0
 21 24  1  0  0  0  0
 21 32  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 32  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <NSC>
763932

>  <CAS>
755037-03-7

>  <Molecular Formula>
C21H15ClF4N4O3

>  <Molecular Weight>
482

>  <Chemical Names>
Regorafenib
BAY 73-4506
A-1112

$$$$
NSC 764040
  CML DOM 10282011392D

 36 41  0  0  0  0  0  0  0  0999 V2000
  -11.2272   -9.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2272  -10.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9282  -11.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6292  -10.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6292   -9.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9282   -8.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5355   -9.8038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6538  -11.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3301  -11.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0311  -10.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0311   -9.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3301   -8.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0273   -9.9606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6374  -11.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7557  -12.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2639  -12.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9282  -12.8038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.1292  -11.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7321  -11.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7321  -12.8038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7321   -8.3038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4330   -9.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1340   -8.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1340   -6.8038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4330   -6.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7321   -6.8038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8349   -6.0538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4641   -6.8038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7631   -6.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7631   -4.5538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4641   -3.8038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8349   -4.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9640   -7.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8924   -7.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.6210  -11.6445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6538   -8.5903    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 36  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 17  2  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
  5 12  1  0  0  0  0
  6 34  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  2  0  0  0  0
  7 13  1  0  0  0  0
  7 36  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  2  0  0  0  0
 11 21  1  0  0  0  0
 13 14  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
 18 35  3  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  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
 27 32  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <NSC>
764040

>  <CAS>
1256580-46-7

>  <Molecular Formula>
C30H34N4O2

>  <Molecular Weight>
482

>  <Chemical Names>
Alectinib
CH-5424802
CH5424802
CT-CH542

$$$$
NSC 764042
  CML DOM 10282011392D

 27 29  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
   -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
  -10.9580   -6.2537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3479   -7.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8561   -7.4672    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
   -5.9461   -6.0000    0.0000 F   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   -6.0000    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   -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 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -6.0000    0.0000 Br  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
  -11.1423   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -0.7500    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
  -12.4252   -5.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -3.0000    0.0000 N   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
  -15.0394   -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  2  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  9  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 25  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  2  0  0  0  0
 10 20  2  0  0  0  0
 10 26  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 12 25  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 19  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 23 27  1  0  0  0  0
M  END
>  <NSC>
764042

>  <Molecular Formula>
C17H15BrF2N4O3

>  <Molecular Weight>
441

>  <Chemical Names>
ARRY-162
CT-A162
MEK162

$$$$
NSC 764134
  CML DOM 10282011392D

 35 38  0  0  0  0  0  0  0  0999 V2000
    3.7500    3.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    1.7010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4510    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    4.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    5.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    6.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    6.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    5.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    4.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    5.5981    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3481    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6471    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9462    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6471    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2452    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4020    5.2418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8692    5.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6192    4.2546    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6155    3.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9274    1.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3540    1.2092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6658   -0.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5511   -1.2618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1245   -0.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8127    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0924   -0.7216    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6471    5.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0490    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4793    6.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9711    7.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5976    8.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0894    8.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1 31  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
  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
  9 10  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
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  2  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 32  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 28  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 29  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
M  END
>  <NSC>
764134

>  <CAS>
1195768-06-9

>  <Molecular Formula>
C23H20F3N5O2S2.CH3SO3H

>  <Molecular Weight>
615

>  <Chemical Names>
Dabrafenib Mesylate
GSK2118436B
Tafinlar
CT-DABR

$$$$
NSC 764581
  CML DOM 10282011392D

 36 41  0  0  0  0  0  0  0  0999 V2000
    2.4114    9.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4114    7.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7104    7.1735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0094    7.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0094    9.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7104   10.1735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3085    7.1735    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6075    7.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6075    9.4235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3085   10.1735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1123   10.1735    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1867    9.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5570   10.0337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5607    8.9189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8107    7.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3435    7.9318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6075   12.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9065   11.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2056   12.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2056   13.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9066   14.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6075   13.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5046   14.6735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8037   13.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8037   12.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1027   11.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4017   12.4235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4017   13.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1027   14.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4146   10.2063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9063   10.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5164   11.4198    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9066   16.1735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5644   10.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7743    8.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3085   11.6735    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 11  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
 10 36  1  0  0  0  0
 11 12  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
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 17 36  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
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 21 33  1  0  0  0  0
 23 24  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  1  0  0  0  0
 26 30  2  0  0  0  0
 27 28  1  0  0  0  0
 27 32  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <NSC>
764581

>  <CAS>
937263-43-9

>  <Molecular Formula>
C26H24N8O2

>  <Molecular Weight>
480

>  <Chemical Names>
WA024-00
ARRY-380
N6-(4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-N4[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-phenyl]-quinazoline-4,6-diamine

$$$$
NSC 765694
  CML DOM 10282011392D

 36 39  0  0  0  0  0  0  0  0999 V2000
    8.0688   10.0245    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
   10.6668    8.5245    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
    9.3678   10.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9659    7.7745    0.0000 N   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
   13.2649   10.0245    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    7.7745    0.0000 O   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
    4.1717    7.7745    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 N   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
   -1.0245    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    6.2745    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    6.2745    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
   14.5640   12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8630   13.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8630   14.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5640   15.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2649   14.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1620   15.2745    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.9659   15.2745    0.0000 Cl  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
   18.4611   13.0245    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
    5.4707   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5640   10.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8630   11.5245    0.0000 N   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
   11.9659   12.2745    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
  1 31  1  0  0  0  0
  2  3  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
  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 33  1  0  0  0  0
 10 36  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 20  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
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 21 36  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 29  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 26 28  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  3  0  0  0  0
M  END
>  <NSC>
765694

>  <CAS>
380843-75-4

>  <Molecular Formula>
C26H29Cl2N5O3

>  <Molecular Weight>
530

>  <Chemical Names>
Bosutinib
PZ0192
B18771
4-(2,4-Dichloro-5-methoxyphenylamino)-6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)quinoline-3-carbonitrile

$$$$
NSC 765888
  CML DOM 10282011392D

 33 36  0  0  0  0  0  0  0  0999 V2000
   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
   12.4414    2.2500    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
   13.7404    4.5000    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
   15.0394    2.2500    0.0000 N   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    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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
   17.6375    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9365    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9365    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6375    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3385    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2356    9.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   20.2356    6.7500    0.0000 Cl  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
    8.5442    3.0000    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
    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 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
    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
    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
    9.8433    2.2500    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
    9.8433    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394    6.7500    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 32  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  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
 10 33  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 11 33  1  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 17  1  0  0  0  0
 15 16  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 32  1  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 29  1  0  0  0  0
 25 26  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
 30 31  1  0  0  0  0
M  END
>  <NSC>
765888

>  <CAS>
1110813-31-4

>  <Molecular Formula>
C24H25ClFN5O2

>  <Molecular Weight>
469

>  <Chemical Names>
Dacomitinib
PF-00299804
PF299804
S2727

$$$$
NSC 765974
  CML DOM 10282011392D

 30 32  0  0  0  0  0  0  0  0999 V2000
    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 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
    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 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
    8.5442    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9146    3.1399    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9182    4.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1682    5.5537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7010    5.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2917    5.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4100    4.0978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6816    6.6817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7835    5.1546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5335    3.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0007    4.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1575    5.6592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7872    6.2693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9234    2.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8051    1.2717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5863    6.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    5.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    5.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4316    2.3284    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
    1.2990    4.2990    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7990    1.7010    0.0000 F   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  8  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  2  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 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  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
 17 21  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <NSC>
765974

>  <CAS>
1217486-61-7

>  <Molecular Formula>
C19H22F3N5O2S

>  <Molecular Weight>
441

>  <Chemical Names>
BYL-719
A-1214
(S)-N1-(4-Methyl-5-(2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl)thiazol-2-yl)pyrrolidine-1,2-dicarboxamide

$$$$
NSC 766270
  CML DOM 10282011392D

 61 68  0  0  0  0  0  0  0  0999 V2000
  -13.9185   -7.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9185   -9.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6195   -9.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3205   -9.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3205   -7.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6195   -6.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6195   -5.3740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2176   -6.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2176   -5.3740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.8157   -6.8740    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0657   -5.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.1147   -6.1240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0214   -9.8740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0214  -11.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7224  -12.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4233  -11.3740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4233   -9.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7224   -9.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3205   -4.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0214   -5.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7224   -4.6240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7224   -3.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0214   -2.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3205   -3.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.5657   -8.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.0657   -8.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.8157   -9.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.0656  -10.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.5656  -10.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.8157   -9.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1243  -12.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8253  -11.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5262  -12.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2272  -11.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2272   -9.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5262   -9.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8253   -9.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2178   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7096   -0.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.3156  -12.0702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.0656  -10.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.3157   -9.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.0657   -8.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.5657   -8.1731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -25.3157   -9.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.5657  -10.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500  -10.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7142   -8.4645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5262  -13.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8253  -14.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8253  -15.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5262  -16.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2272  -15.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2272  -14.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5262  -18.1240    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -20.8156  -12.0702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5166   -7.6240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6077   -2.1203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -17.8156  -12.0702    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  -16.3156  -12.0702    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  -18.5656  -13.3692    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
  1  8  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 13  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  2  0  0  0  0
  8 57  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 25  1  0  0  0  0
 10 57  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  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
 16 31  1  0  0  0  0
 17 18  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 58  1  0  0  0  0
 23 24  2  0  0  0  0
 23 39  1  0  0  0  0
 25 26  2  0  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 56  1  0  0  0  0
 29 30  2  0  0  0  0
 29 59  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 37  1  0  0  0  0
 33 34  1  0  0  0  0
 33 49  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 48  1  0  0  0  0
 35 47  1  0  0  0  0
 36 37  1  0  0  0  0
 38 39  2  0  0  0  0
 38 58  1  0  0  0  0
 40 41  1  0  0  0  0
 40 56  1  0  0  0  0
 41 42  1  0  0  0  0
 41 46  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 49 50  2  0  0  0  0
 49 54  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  2  0  0  0  0
 52 53  1  0  0  0  0
 52 55  1  0  0  0  0
 53 54  2  0  0  0  0
 59 60  1  0  0  0  0
 59 61  2  0  0  0  0
M  CHG  2  59   1  60  -1
M  END
>  <NSC>
766270

>  <CAS>
1257044-40-8

>  <Molecular Formula>
C45H50ClN7O7S

>  <Molecular Weight>
868

>  <Chemical Names>
Venetoclax
Venclexta
ABT-199
A-1231
4-[4-[[2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl]piperazin-1-yl]-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide

$$$$
NSC 767125
  CML DOM 10282011392D

 28 32  0  0  0  0  0  0  0  0999 V2000
    4.9216    4.0245    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
    6.2207    1.7745    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
    7.5197    4.0245    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
    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
    6.2207    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8187    1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    4.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   -0.4755    0.0000 F   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
   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
   12.7159   -1.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7159   -0.4754    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
   10.1178    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4881    1.9144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4918    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7418    4.3282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2746    4.0163    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0149   -2.7254    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1599    5.0200    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
    6.2207    4.7745    0.0000 N   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
  1 28  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  9  1  0  0  0  0
  4  5  2  0  0  0  0
  4 11  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  2  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
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  1  0  0  0
 10 27  1  0  0  0  0
 11 20  1  6  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
 17 25  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 24  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 26  1  0  0  0  0
M  END
>  <NSC>
767125

>  <CAS>
1207456-01-6

>  <Molecular Formula>
C19H14F2N6O

>  <Molecular Weight>
380

>  <Chemical Names>
BMN-673

$$$$
NSC 767600
  CML DOM 10282011392D

 37 40  0  0  0  0  0  0  0  0999 V2000
    8.3971    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3971    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6961    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9952    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9952    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6962    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5933    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8923    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1913    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1913    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8923    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5933    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4904    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7894    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0885    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3875    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.5443    1.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0115    1.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7615    2.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7578    3.6101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3971    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3971    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0981    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7990    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7990    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0981    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6962    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2942    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0981    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    5.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    3.9510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2010    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    6.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    6.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    7.8481    0.0000 C   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
    3.7500    6.5491    0.0000 N   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 29  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 28  1  0  0  0  0
  5  6  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  7 28  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
 10 13  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
 16 17  1  0  0  0  0
 16 20  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
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 21 27  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
 25 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  2  0  0  0  0
 30 37  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
 33 37  1  0  0  0  0
M  END
>  <NSC>
767600

>  <CAS>
936091-26-8

>  <Molecular Formula>
C27H36N6O3S

>  <Molecular Weight>
524

>  <Chemical Names>
SAR-302503
TG-101348
TG101348
CT-TG101
T2830

$$$$
NSC 768068
  CML DOM 10282011392D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -9.1262  -11.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1262  -12.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8272  -13.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5281  -12.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5281  -11.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8272  -10.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4252  -13.3878    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8272   -8.8878    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9301  -11.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9300  -12.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6310  -13.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3320  -12.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3320  -11.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6310  -10.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2291  -13.3878    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6310  -14.8878    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6310   -8.8878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9300   -8.1378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3320   -8.1378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1169   -8.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5051   -7.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9437   -6.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8934   -5.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3423   -5.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7305   -3.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6698   -2.7305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2209   -3.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2291  -10.3878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1673   -4.5676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9540   -7.4654    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
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 28  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  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 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
 19 22  1  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
 21 30  1  0  0  0  0
 23 24  1  0  0  0  0
 23 29  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <NSC>
768068

>  <CAS>
934660-93-2

>  <Molecular Formula>
C21H21F3IN3O2

>  <Molecular Weight>
531

>  <Chemical Names>
Cobimetinib
GDC-0973
GDC0973
A-1180

$$$$
NSC 768073
  CML DOM 10282011392D

 37 41  0  0  0  0  0  0  0  0999 V2000
  -11.0535   -1.5048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0535   -3.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7544   -3.7548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4554   -3.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4554   -1.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7544   -0.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6515   -3.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6515   -1.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9506   -0.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2496   -1.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2496   -3.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9506   -3.7548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1563   -3.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1563   -5.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8573   -6.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5583   -5.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5583   -3.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8573   -3.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.5486   -0.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.8477   -1.5048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -20.1467   -0.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.4458   -1.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.4458   -3.0048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -20.1467   -3.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.8477   -3.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1563   -0.7548    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1317   -5.7184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -4.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1317   -3.2913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6681   -1.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8573   -7.5048    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  -22.7448   -3.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.0438   -3.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6718   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2009   -1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -4.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3525   -3.7548    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 37  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  2  0  0  0  0
  5 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  7 37  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
 10 19  1  0  0  0  0
 11 12  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
 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  2  0  0  0  0
 17 29  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  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 32  1  0  0  0  0
 24 25  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 36  1  0  0  0  0
 29 30  1  0  0  0  0
 30 34  1  0  0  0  0
 30 35  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <NSC>
768073

>  <CAS>
1231929-97-7

>  <Molecular Formula>
C27H32F2N8

>  <Molecular Weight>
506

>  <Chemical Names>
LY-2835219
2-Pyrimidinamine, N-[5-[(4-ethyl-1-piperazinyl)methyl]-2-pyridinyl]-5-fluoro-4-[4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazol-6-yl]-

$$$$
NSC 771649
  CML DOM 10282011392D

 33 36  0  0  0  0  0  0  0  0999 V2000
  -15.3617   -5.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3617   -6.7416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0627   -7.4916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7636   -6.7416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7636   -5.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0627   -4.4916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.6608   -7.4916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.9598   -8.2416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -16.6608   -4.4916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.4108   -5.7906    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  -17.9598   -3.7416    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  -15.9108   -3.1925    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4646   -4.4916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0943   -5.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0906   -3.9870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3078   -2.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7824   -6.5689    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4225   -1.9961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8406   -2.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4402   -2.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9778   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3781   -1.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5988   -4.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9887   -5.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4969   -5.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6152   -4.4574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2253   -3.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7171   -2.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8868   -7.0412    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1235   -4.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5134   -5.9845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2418   -3.4006    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  9  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  2  0  0  0  0
  5 13  1  0  0  0  0
  7  8  3  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
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  2  0  0  0  0
 15 19  1  0  0  0  0
 15 23  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  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
 25 29  1  0  0  0  0
 26 27  1  0  0  0  0
 26 30  1  0  0  0  0
 27 28  2  0  0  0  0
 30 31  2  0  0  0  0
 30 33  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <NSC>
771649

>  <CAS>
956104-40-8

>  <Molecular Formula>
C21H15F4N5O2S

>  <Molecular Weight>
477

>  <Chemical Names>
ARN-509
Benzamide, 4-[7-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-8-oxo-6-thioxo-5,7-diazaspiro-[3.4]oct-5-yl]-2-fluoro-N-methyl-

$$$$
NSC 772469
  CML DOM 10282011392D

 30 34  0  0  0  0  0  0  0  0999 V2000
    0.7500    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
    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
    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
    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 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
    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
    9.8433    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
    8.5442    8.2500    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
    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    1.5000    0.0000 N   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
   12.4413    1.5000    0.0000 N   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
   11.1423    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9460    5.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4542    5.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    7.5000    0.0000 Cl  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
    7.2452    1.5000    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
   13.5561    4.0037    0.0000 N   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  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 27  2  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
 17 28  1  1  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 18 29  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
 22 23  1  0  0  0  0
 22 30  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  2  0  0  0  0
 24 30  1  0  0  0  0
M  END
>  <NSC>
772469

>  <CAS>
1201438-56-3

>  <Molecular Formula>
C22H17ClN6O

>  <Molecular Weight>
416

>  <Chemical Names>
INK-1197
IPI-145
CS-0888

$$$$
NSC 774769
  CML DOM 10282011392D

 41 46  0  0  0  0  0  0  0  0999 V2000
   13.4628    2.9810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3445    1.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7711    2.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7711    3.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0701    1.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3692    2.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3691    3.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0701    4.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6682    1.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4137    0.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9502   -1.3975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4100    1.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8736    2.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8699    3.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4026    3.3732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9391    1.9466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9428    0.8319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3989    4.4879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8625    5.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8588    7.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3915    6.7173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9280    5.2908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9317    4.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0121   -0.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0084    0.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5412   -0.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0776   -1.5303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0813   -2.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5486   -2.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6682   -0.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3692   -0.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3692   -2.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6682   -3.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9673   -2.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9672   -0.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0701   -3.0189    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   22.2663   -3.0189    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4793   -0.5947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8810    0.3409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3445    4.1946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3878    7.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
  2 39  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 40  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 30  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 39  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  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
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  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
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 29  1  0  0  0  0
 24 38  1  0  0  0  0
 25 26  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
 30 31  2  0  0  0  0
 30 35  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 36  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 37  1  0  0  0  0
M  END
>  <NSC>
774769

>  <CAS>
1108743-60-7

>  <Molecular Formula>
C31H34F2N6O2

>  <Molecular Weight>
560

>  <Chemical Names>
NMS-E628

$$$$
NSC 775351
  CML DOM 10282011392D

 20 22  0  0  0  0  0  0  0  0999 V2000
  -11.6563   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6563   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3573   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0583   -4.5000    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
  -10.3573   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6317   -4.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6317   -2.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -5.0490    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
   -3.0000   -2.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -2.4510    0.0000 C   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
   -3.0000   -5.0491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -6.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1681   -1.1099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1681   -6.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3573   -0.7500    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  9  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 18  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
775351

>  <CAS>
19171-19-8

>  <Molecular Formula>
C13H11N3O4

>  <Molecular Weight>
273

>  <Chemical Names>
Pomalidomide
A3476
4-Amino-2-(2,6-dioxo-3-piperidyl)isoindoline-1,3-dione

$$$$
NSC 775772
  CML DOM 10282011392D

 28 31  0  0  0  0  0  0  0  0999 V2000
   11.0815    2.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3992    1.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6788    2.5985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6406    4.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3230    4.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0434    4.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9202    4.8808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4462    3.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4843    2.4664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8489    3.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5312    4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2517    3.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2898    2.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6075    1.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8870    2.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2806    5.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4978    6.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0390    6.3761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.7801    5.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4969    6.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7141    8.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2146    8.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9964    1.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3056    4.3057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1285    4.6827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7257    4.7487    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0103    1.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7307    0.7688    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
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  6  0  0  0
  5  6  1  0  0  0  0
  6 26  1  1  0  0  0
  7 18  2  0  0  0  0
  7 24  1  0  0  0  0
  8  9  2  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 10 25  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
 13 27  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 19  1  0  0  0  0
 16 24  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  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
 27 28  3  0  0  0  0
M  END
>  <NSC>
775772

>  <CAS>
1095173-27-5

>  <Molecular Formula>
C21H22N6O

>  <Molecular Weight>
374

>  <Chemical Names>
PF-04449913
1-((2R,4R)-2-(1H-benzo[d]imidazol-2-yl)-1-methylpiperidin-4-yl)-3-(4-cyanophenyl)urea

$$$$
NSC 776422
  CML DOM 10282011392D

 38 41  0  0  0  0  0  0  0  0999 V2000
   -7.4192   -8.1495    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
   -6.1202  -10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -9.6495    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
   -6.1202   -7.3995    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
   -8.7183   -7.3995    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
  -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 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 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
   -2.2231   -3.6495    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
   -4.8211   -3.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -2.8995    0.0000 Cl  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
   -2.2231   -8.1495    0.0000 C   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  -10.3995    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   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6741   -7.3995    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241   -8.6986    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
    0.9241   -6.1005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9241   -8.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6741   -9.9976    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
   -7.4192  -12.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4192  -14.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211  -14.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211  -12.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -5.8995    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
   -6.1202  -14.8995    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  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 31  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
  6 36  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  2  0  0  0  0
 12 17  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 37  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
 19 20  1  0  0  0  0
 19 24  2  0  0  0  0
 19 37  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
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 28  2  0  0  0  0
 26 30  1  0  0  0  0
 26 29  1  0  0  0  0
 31 32  1  0  0  0  0
 31 35  1  0  0  0  0
 32 33  1  0  0  0  0
 33 38  1  0  0  0  0
 34 35  1  0  0  0  0
 34 38  1  0  0  0  0
M  END
>  <NSC>
776422

>  <CAS>
1032900-25-6

>  <Molecular Formula>
C28H36ClN5O3S

>  <Molecular Weight>
558

$$$$
NSC 777109
  CML DOM 10282011392D

 42 46  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
   -1.5735   -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
   -1.5735   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5735   -7.7745    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
   -5.4707   -8.5245    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  -10.0245    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
   -6.7697  -12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4706  -13.0245    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  -10.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726  -13.0245    0.0000 N   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
   -0.2745  -13.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5735  -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
    1.0245  -12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245  -10.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0687  -13.0245    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
  -10.6668  -13.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6668  -14.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3677  -15.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0687  -14.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9658  -15.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2649  -14.5246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2649  -13.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5639  -12.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.8629  -13.0246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.8629  -14.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5639  -15.2746    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
   -0.2745   -5.5245    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
    1.0245   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726  -14.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716  -15.2745    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
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  1 38  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  6  2  0  0  0  0
  3 37  1  0  0  0  0
  4  5  2  0  0  0  0
  4 37  1  0  0  0  0
  4 39  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 36  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
 12 23  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
 15 42  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  2  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 29  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 35  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 40 41  1  0  0  0  0
M  END
>  <NSC>
777109

>  <CAS>
1403254-99-8

>  <Molecular Formula>
C34H44N4O4

>  <Molecular Weight>
572

>  <Chemical Names>
CT-EPZ438
EPZ-6438
EPZ6438
A-1623
E-7438
E7438

$$$$
NSC 777878
  CML DOM 10282011392D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.9545    7.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9545    5.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2535    5.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5526    5.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5526    7.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2535    8.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6555    8.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6555    9.5421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6555    5.0421    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8516    5.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8516    3.5421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1506    2.7921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4497    3.5421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4497    5.0421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1507    5.7921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8763    3.0785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7580    4.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8763    5.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3398    6.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8070    7.2440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8107    6.1293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2779    6.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7415    7.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7378    8.9825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2706    8.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2087    8.1796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6722    9.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6685   10.7209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2013   10.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3564    7.2921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9426    8.0421    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
  2  9  1  0  0  0  0
  3  4  2  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  2  0  0  0  0
  7 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  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 16  2  0  0  0  0
 14 15  1  0  0  0  0
 14 18  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  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  2  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
 23 26  1  0  0  0  0
 24 25  1  0  0  0  0
 24 29  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
 30 31  1  0  0  0  0
M  END
>  <NSC>
777878

>  <CAS>
1029712-80-8

>  <Molecular Formula>
C23H17FN6O

>  <Molecular Weight>
412

>  <Chemical Names>
INCB-28060
A-1419

$$$$
NSC 778304
  CML DOM 10282011392D

 36 38  0  0  0  0  0  0  0  0999 V2000
   11.3100    4.6128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3100    3.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6090    2.3628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9080    3.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9080    4.6128    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6090    5.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5061    3.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8052    2.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4032    2.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4032    0.8628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7023    3.1128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0013    2.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1042    3.1128    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2071    2.3628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.8052    0.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0109    2.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6406    2.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6369    1.8582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3869    0.5592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8541    0.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7768   -0.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2850   -0.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6585   -2.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3287    4.4401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4434    5.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1316    6.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7050    7.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5903    6.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9021    4.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2463    7.9148    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7874    3.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8518    8.3016    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1637    6.8344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3846    7.9898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5399    9.7688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3190    8.6135    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
  2  3  2  0  0  0  0
  2 16  1  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
  7 14  1  0  0  0  0
  8 13  1  0  0  0  0
  8 15  1  1  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 11 12  1  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 24  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
 21 22  1  0  0  0  0
 21 23  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
 26 30  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 33  1  0  0  0  0
 29 31  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 32 35  2  0  0  0  0
 32 36  1  0  0  0  0
M  END
>  <NSC>
778304

>  <Molecular Formula>
C22H27ClFN7O4S

>  <Molecular Weight>
540

>  <Chemical Names>
LGX-818

$$$$
NSC 778909
  CML DOM 10282011392D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -4.3503  -13.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3503  -15.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7523  -15.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7523  -13.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0513  -12.7851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0513  -11.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7523  -10.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7523   -9.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0513   -8.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3503   -9.0351    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3503  -10.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7523   -6.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4532   -6.7851    0.0000 N   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
   -0.4532   -3.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7523   -4.5351    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2724   -6.4986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1541   -5.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2724   -4.0715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7359   -7.9252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -9.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7359  -10.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1625   -9.8887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1625   -8.3887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6541   -5.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4041   -3.9860    0.0000 N   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
    6.9041   -3.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6541   -2.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0513   -6.7851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0513  -15.7851    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 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  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 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
  9 31  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 31  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
 15 20  1  0  0  0  0
 16 17  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
 19 26  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 28  2  0  0  0  0
 26 27  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <NSC>
778909

>  <CAS>
1211441-98-3

>  <Molecular Formula>
C23H30N8O

>  <Molecular Weight>
434

>  <Chemical Names>
LEE-011
A-1277
N,N-Dimethyl 7-cyclopentyl-2-(5-piperazin-1-ylpyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

$$$$
NSC 779217
  CML DOM 10282011392D

 37 40  0  0  0  0  0  0  0  0999 V2000
  -13.9999   -2.4281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2990   -3.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2990   -4.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9999   -5.4281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7009   -4.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7009   -3.1781    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1028   -4.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8038   -5.4281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5048   -4.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5048   -3.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8038   -2.4281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1028   -3.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1028   -0.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4019   -0.9281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1028    1.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8038    2.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8038   -6.9281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2057   -2.4281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9067   -3.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9067   -4.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6076   -5.4281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9999   -0.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7864   -0.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2500    1.3802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7499    1.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2135   -0.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7537    2.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2209    2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6844    0.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.6807   -0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4019   -5.4281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8038   -0.9281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3683    2.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2057   -0.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3086   -4.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6076   -6.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5048   -7.6781    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 22  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 31  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  2  0  0  0  0
 11 32  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 32  1  0  0  0  0
 15 16  2  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 23  2  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 33  1  0  0  0  0
 25 26  2  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
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <NSC>
779217

>  <CAS>
1421373-65-0

>  <Molecular Formula>
C28H33N7O2

>  <Molecular Weight>
499

>  <Chemical Names>
Osimertinib
AZD-9291
AZD9291
N-{2-[(2-Dimethylaminoethyl)methylamino]-4-methoxy-5-[4-(1-methyl-1H-indol-3-yl)-pyrimidin-2-ylamino]phenyl}acrylamide
2-Propenamide, N-[2-[[2-(dimethylamino)ethyl]methylamino]-4-methoxy-5-[[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]amino]phenyl]-

$$$$
NSC 780108
  CML DOM 10282011392D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.1647    1.8821    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0865    1.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2197   -0.4394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2197   -0.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8654   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517   -1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1199    0.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5916    1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -1.2668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0325   -2.7166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7799   -3.5419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5989   -2.9512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3396   -2.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7183   -1.8104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5826   -0.3166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8978   -0.8045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1716    2.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039    3.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5225    4.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0088    4.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5764    3.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6578    1.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4261    0.5994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9274    5.6478    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0067   -2.5787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0070   -3.8638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6745   -5.3265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9620    3.3684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4613   -3.1732    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9201    0.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  2  0  0  0  0
  2 17  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
  5 12  2  0  0  0  0
  6  7  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  1  0  0  0  0
  7 15  2  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  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
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 30  1  6  0  0  0
 26 27  3  0  0  0  0
M  END
>  <NSC>
780108

>  <CAS>
1454846-35-5

>  <Molecular Formula>
C21H19FN6O2

>  <Molecular Weight>
406

>  <Chemical Names>
PF-06463922
A-1925

$$$$
NSC 780203
  CML DOM 10282011392D

 31 33  0  0  0  0  0  0  0  0999 V2000
   14.8542   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8542   -8.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1533   -9.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4523   -8.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4523   -7.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1533   -6.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9571   -6.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6581   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9571   -4.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3590   -6.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3590   -4.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5726   -3.9934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1090   -2.5668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6090   -2.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1455   -3.9934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7273   -1.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3375    0.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4558    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9640    1.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3539   -0.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2356   -1.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8621   -0.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7053    1.0385    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3703   -0.6101    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0189   -1.9451    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0659    2.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6956    3.2110    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4362    1.9908    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6760    3.9712    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.5552   -6.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2561   -7.1250    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 30  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
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 31  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
 11 15  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
 14 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
 18 26  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
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <NSC>
780203

>  <CAS>
1393477-72-9

>  <Molecular Formula>
C17H11F6N7O

>  <Molecular Weight>
443

>  <Chemical Names>
CS-2185
KPT-330

$$$$
NSC 781556
  CML DOM 10282011392D

 33 36  0  0  0  0  0  0  0  0999 V2000
    7.2452    6.0000    0.0000 N   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    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
    3.3481    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
    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
    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
    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
   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
   12.4413    3.0000    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
   13.7404    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4097    5.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4134    6.5046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6634    7.8037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1962    7.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433   12.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2735    9.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    6.0000    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
    4.6471    1.5000    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
    8.5442    9.7500    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  9  1  0  0  0  0
  2 19  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
  5  6  2  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 31  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
 12 15  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
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 21  1  0  0  0  0
 19 33  1  0  0  0  0
 20 26  1  0  0  0  0
 20 27  1  0  0  0  0
 20 33  1  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
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <NSC>
781556

>  <CAS>
1346242-81-6

>  <Molecular Formula>
C25H30N6O2

>  <Molecular Weight>
446

>  <Chemical Names>
JNJ-42756493

$$$$
NSC 785570
  CML DOM 10282011392D

 31 35  0  0  0  0  0  0  0  0999 V2000
  -11.2782   -4.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2782   -5.8786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9792   -6.6286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6801   -5.8786    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6801   -4.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9792   -3.6286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2536   -6.3421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3719   -5.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2536   -3.9150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3228   -2.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8593   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3191   -3.2913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6310   -4.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3319   -5.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2172   -4.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8273   -3.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5773   -3.6286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7340   -2.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2013   -1.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9513   -3.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9476   -4.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2594   -5.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6860   -6.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.9979   -7.6366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8832   -8.6403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4566   -8.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1447   -6.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3419   -9.1805    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  -16.8007   -5.1657    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -4.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7900   -2.4885    0.0000 N   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 17  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
  5  9  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 31  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
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  1  0  0  0
 17 18  1  0  0  0  0
 17 21  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  1  0  0  0
 22 23  1  0  0  0  0
 22 27  2  0  0  0  0
 23 24  2  0  0  0  0
 23 29  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
 26 28  1  0  0  0  0
M  END
>  <NSC>
785570

>  <CAS>
1223403-58-4

>  <Molecular Formula>
C21H22F2N6O2

>  <Molecular Weight>
428

>  <Chemical Names>
LOXO-101
LOXO 101
LOXO101
A-9048

$$$$
NSC 787457
  CML DOM 10282011392D

 40 44  0  0  0  0  0  0  0  0999 V2000
  -19.0663  -11.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.0663  -13.3740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -17.7673  -14.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.4682  -13.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.4682  -11.8740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -17.7673  -11.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.3653  -14.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1692  -11.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8701  -11.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5711  -11.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5711   -9.6240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8701   -8.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1692   -9.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2721   -8.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9730   -9.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6740   -8.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6740   -7.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9730   -6.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2721   -7.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3749   -9.6240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3749  -11.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0759   -7.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0759   -8.8740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7769   -9.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4778   -8.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4778   -7.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7769   -6.6240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8798   -7.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8798   -8.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4193   -9.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7183   -8.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7183   -7.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4193   -6.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4193   -5.1240    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.4799   -4.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8798   -4.3740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8682   -4.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3749   -6.6240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1788   -6.6240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1788   -9.6240    0.0000 Cl  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  7  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  8  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  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
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 40  1  0  0  0  0
 26 27  2  0  0  0  0
 26 39  1  0  0  0  0
 28 29  2  0  0  0  0
 28 33  1  0  0  0  0
 28 39  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
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 34 37  1  0  0  0  0
M  END
>  <NSC>
787457

>  <CAS>
1197953-54-0

>  <Molecular Formula>
C29H39ClN7O2P

>  <Molecular Weight>
584

>  <Chemical Names>
Brigatinib
AP-26113
AP26113
CS-4278

$$$$
NSC 787846
  CML DOM 10282011392D

 40 44  0  0  0  0  0  0  0  0999 V2000
  -20.2356   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -20.2356   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.9365   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6375   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6375   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.9365   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3385   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6375   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6375   -7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3385   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -18.9365   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.2356   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3385   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6375  -10.5000    0.0000 O   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   -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
   -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
   -8.5442   -8.2500    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
   -8.5442   -5.2500    0.0000 N   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
   -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
   -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
   -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
   -2.0490   -1.5000    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
   -4.6471   -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
  -13.7404   -8.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3385   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394  -10.5000    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 39  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
  7 39  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
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 11 38  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 40  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 17 38  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  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
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 30  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 31  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 31 36  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 37  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <NSC>
787846

>  <CAS>
1254053-43-4

>  <Molecular Formula>
C29H44N8O3

>  <Molecular Weight>
552

>  <Chemical Names>
Gilteritinib
ASP-2215
ASP2215
A-1371

$$$$
NSC 788120
  CML DOM 10282011392D

 33 35  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
   -9.8433   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -8.2500    0.0000 N   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
   -7.2452   -6.0000    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
  -12.4413   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -7.5000    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
   -5.9461   -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
   -3.3481   -9.7500    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
   -4.6471   -7.5000    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
   -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 N   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
   -7.2452   -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
   -2.0490   -4.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -5.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 F   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   -6.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -6.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -8.2500    0.0000 F   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
  -15.0394   -9.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  2 31  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
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  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
 15 27  1  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 23  1  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
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <NSC>
788120

>  <CAS>
1446502-11-9

>  <Molecular Formula>
C19H17F6N7O

>  <Molecular Weight>
473

>  <Chemical Names>
Enasidenib
CS-5017
AG-221
AG221

$$$$
NSC 788948
  CML DOM 10282011392D

 26 27  0  0  0  0  0  0  0  0999 V2000
    6.8851    8.7718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2767   10.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7847    9.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4710    8.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7691    7.7695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3519    8.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8137    7.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8086    5.9175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2703    4.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3417    6.2312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0999    7.9127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875    8.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3578    6.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5702    5.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9413    6.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0133    6.0876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0462   10.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7824   11.1039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2477   12.5299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2454   13.6459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7153   12.8400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0283   11.4410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5283   11.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2799   12.7372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5164    8.1876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2767   10.1391    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  1  0  0  0
  2  3  1  0  0  0  0
  2 22  1  6  0  0  0
  3  4  1  0  0  0  0
  3 18  1  6  0  0  0
  4  5  1  0  0  0  0
  4 11  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  2  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  2  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <NSC>
788948

>  <CAS>
4105-38-8

>  <Molecular Formula>
C15H18N2O9

>  <Molecular Weight>
370

>  <Chemical Names>
Uridine triacetate
Uridine, 2,3,5-triacetate
(2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3,4-diyl diacetate

$$$$
NSC 789102
  CML DOM 10282011392D

 41 45  0  0  0  0  0  0  0  0999 V2000
   11.1712    3.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1712    1.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4703    1.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7693    3.4164    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.4702    4.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4702    5.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1712    6.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8722    5.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8722    4.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7693    1.9164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0683    1.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4566   -0.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9055    0.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5172    1.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2937   -1.3432    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.3543    0.4939    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8722    1.1663    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5731    1.9163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5731    3.4163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8722   -0.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5731   -1.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5731   -2.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8722   -3.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1712   -2.5837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1712   -1.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2741   -3.3337    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2741    1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9038    1.7764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9001    0.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6501   -0.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1173   -0.3255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4083    0.8185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5919    3.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7066    4.2474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3947    5.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9682    6.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8534    5.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1653    3.7072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5094    6.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6242    7.7220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4703   -0.3336    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
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  1  0  0  0
  3 10  1  0  0  0  0
  3 41  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
  7  8  1  0  0  0  0
  8  9  2  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
 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 20  1  0  0  0  0
 18 19  2  0  0  0  0
 27 18  1  6  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
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 27 28  1  0  0  0  0
 27 31  1  0  0  0  0
 28 29  1  0  0  0  0
 28 33  1  0  0  0  0
 29 30  1  0  0  0  0
 29 32  2  0  0  0  0
 30 31  1  0  0  0  0
 33 34  2  0  0  0  0
 33 38  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 39  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 39 40  3  0  0  0  0
M  END
>  <NSC>
789102

>  <CAS>
1448347-49-6

>  <Molecular Formula>
C28H22ClF3N6O3

>  <Molecular Weight>
582

>  <Chemical Names>
Ivosidenib
AG-120
A-1323
AG120

$$$$
NSC 789300
  CML DOM 10282011392D

 29 32  0  0  0  0  0  0  0  0999 V2000
   14.7168    2.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4178    1.8306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4178    0.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7168   -0.4194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0159    0.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0159    1.8306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1188    2.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8197    1.8306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3149   -0.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3149   -1.9194    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.6139    0.3306    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.6140   -1.1694    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.5207    2.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5207    4.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2216    4.8306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9226    4.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9226    2.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2216    1.8306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6236    4.8306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3245    4.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542    4.6907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7005    2.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1677    2.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2370    0.8504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2407   -0.2644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    0.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1714    1.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7116   -1.0672    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9505    3.5760    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  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
  5  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  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
 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
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 23  1  0  0  0  0
 21 29  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 29  1  0  0  0  0
 23 27  1  0  0  0  0
 24 25  2  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>
789300

>  <CAS>
1029044-16-3

>  <Molecular Formula>
C20H15ClF3N5

>  <Molecular Weight>
417

>  <Chemical Names>
Pexidartinib
PLX-3397

$$$$
NSC 791164
  CML DOM 10282011392D

 35 39  0  0  0  0  0  0  0  0999 V2000
  -12.7534   -4.3570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9669   -5.2386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5034   -6.6652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0034   -6.6652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5399   -5.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9102   -2.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2805   -2.2551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4940   -3.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3373   -4.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1133   -4.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9986   -5.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5720   -5.3153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2601   -3.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3748   -2.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8014   -3.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8335   -3.3845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5217   -1.9173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2922   -3.9247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1775   -4.9284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7509   -4.4649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4391   -2.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5538   -1.9940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9804   -2.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3851   -7.8787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.8851   -7.8787    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3486   -9.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1351  -10.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9216   -9.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.7668   -6.6652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.2585   -6.8220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.1567   -5.2949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.7503   -6.9788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.2421   -7.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6967   -1.9835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7188   -4.3882    0.0000 N   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
  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
 24  3  1  6  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6 34  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
 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
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 35  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 18 35  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
 24 25  1  0  0  0  0
 24 28  1  0  0  0  0
 25 26  1  0  0  0  0
 25 29  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  3  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <NSC>
791164

>  <CAS>
1420477-60-6

>  <Molecular Formula>
C26H23N7O2

>  <Molecular Weight>
465

>  <Chemical Names>
Acalabrutinib
CS-5356

$$$$
NSC 801082
  CML DOM 10282011392D

 37 42  0  0  0  0  0  0  0  0999 V2000
  -12.2744  -17.5334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7744  -17.5334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2380  -16.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0244  -15.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8109  -16.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6561  -18.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0244  -13.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2380  -12.8435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7745  -11.4169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2745  -11.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8109  -12.8435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5245  -10.1179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7745   -8.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2745   -8.8188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5245  -10.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0245  -10.1178    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2745  -11.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7745  -11.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0245  -10.1178    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7745   -8.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2745   -8.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5245  -10.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7745  -11.4169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2745  -11.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5245  -10.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2745   -8.8188    0.0000 C   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
   -1.0245  -10.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2746  -10.8678    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
    1.2255   -8.8188    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
   -0.2745   -6.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -7.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9755   -4.9216    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245  -11.6178    0.0000 N   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  6  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
  7  8  2  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
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  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
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 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
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 37  1  6  0  0  0
 30 31  2  0  0  0  0
 30 35  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 36  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
>  <NSC>
801082

>  <CAS>
1703793-34-3

>  <Molecular Formula>
C26H27FN10

>  <Molecular Weight>
498

>  <Chemical Names>
BLU-285
A-6061
BLU285

$$$$
NSC 816437
  CML DOM 10282011392D

 35 39  0  0  0  0  0  0  0  0999 V2000
    5.7135    5.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.4240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    6.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4280    6.2486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4280    5.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    6.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580    6.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5735    6.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2870    6.2435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0025    6.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7170    6.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    6.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    7.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7170    7.8916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0025    7.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    6.2425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8594    6.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7160    5.4169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4305    5.0041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5739    6.2404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039    6.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039    5.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184    5.0010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4319    5.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4319    6.2384    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7174    6.6502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1474    5.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    7.8916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    7.4788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4741    8.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1387    8.7855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3172    8.6989    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2895    6.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2905    7.4778    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
  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  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 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 19  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
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
 18 21  1  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 21 34  1  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 22 34  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
 29 30  1  0  0  0  0
 29 33  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
>  <NSC>
816437

$$$$
NSC 816556
  CML DOM 10282011392D

 35 39  0  0  0  0  0  0  0  0999 V2000
    8.7446    7.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7446    6.7305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4593    6.3180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1740    6.7305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1740    7.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4593    7.9681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8876    7.9681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8876    8.7931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1740    9.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4593    8.7931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1740   10.0306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6023    9.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3170    8.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0317    9.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0317   10.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3170   10.4431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6023   10.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8876   10.4431    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.3170   11.2682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0317   11.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7464    8.7931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4600    9.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3170    7.9681    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.7446    9.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0299    8.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9598    7.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4751    7.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9598    6.4758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6501    7.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2375    6.4283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4125    6.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4125    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2375    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6501    5.7147    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 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  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  7  1  0  0  0  0
  6 10  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
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 24  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
 13 23  1  0  0  0  0
 14 15  2  0  0  0  0
 14 21  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
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 35  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <NSC>
816556

$$$$
NSC 818434
  CML DOM 10282011392D

 39 44  0  0  0  0  0  0  0  0999 V2000
    7.8591    8.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8591    7.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5741    7.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2891    7.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2891    8.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5741    9.1271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9030    9.2664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5667   10.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7454    9.9340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1451    7.4763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4301    7.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7150    7.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.8890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1310    6.8923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2990    6.8923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7099    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5075    8.9837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0041    7.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0041    6.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7192    6.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4332    6.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4332    7.4763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7192    7.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1482    6.2381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1482    5.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8632    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5782    5.4127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5782    6.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8632    6.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8632    5.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2933    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0073    5.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7223    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4373    5.4127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4373    6.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7223    6.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0073    6.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1523    6.6509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1523    7.4763    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
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  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
  7 16  1  0  0  0  0
  8  9  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  1  0  0  0  0
 12 15  1  0  0  0  0
 16 17  3  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
 24 25  1  0  0  0  0
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 30  1  0  0  0  0
 27 28  1  0  0  0  0
 27 31  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 37  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 38  1  0  0  0  0
 36 37  2  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <NSC>
818434

$$$$
NSC 823807
  CML DOM 10282011392D

 35 39  0  0  0  0  0  0  0  0999 V2000
   -3.4670    1.6487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4670    0.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7525    0.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0381    0.8237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0381    1.6487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7525    2.0612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7525   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4670   -0.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4670   -1.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7525   -2.0638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0381   -1.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0381   -0.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7525   -2.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0381   -3.3013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4670   -3.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1815   -2.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2534    0.5687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7685    1.2362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2534    1.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9985    2.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5505    3.3013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1915    2.8598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0565    1.2362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690    0.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2940    0.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7065    1.2362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2940    1.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690    1.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5315    1.2362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9440    0.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5315   -0.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9440   -0.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690   -0.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1815   -0.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690    0.5217    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  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  6  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
 12  7  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
 15 16  2  0  0  0  0
  4 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19  5  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
 18 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
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 26 29  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
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
M  END
>  <NSC>
823807

$$$$
NSC 825331
  CML DOM 10282011392D

 28 30  0  0  0  0  0  0  0  0999 V2000
    8.6615  -14.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6615  -15.3594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3759  -15.7719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0904  -15.3594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0904  -14.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3759  -14.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8049  -14.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5585  -14.4574    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1106  -13.8443    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6981  -13.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8911  -13.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9311  -13.9306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4160  -13.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2365  -13.3494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7214  -12.6819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5419  -12.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9544  -13.4826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7613  -13.3111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8476  -12.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0939  -12.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5620  -12.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2765  -12.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5620  -11.2531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3858  -11.9283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0804  -12.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9470  -15.7719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2325  -16.1844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9470  -14.1219    0.0000 Cl  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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  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  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
  9 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  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 16  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 15 24  2  0  0  0  0
 13 25  1  6  0  0  0
  2 26  1  0  0  0  0
 26 27  3  0  0  0  0
  1 28  1  0  0  0  0
M  END
>  <NSC>
825331

$$$$
