C9H12N3O8P
APtclcactv03241713412D 0   0.00000     0.00000
 
 33 34  0  0  0  0  0  0  0  0999 V2000
    5.3086   -2.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7208   -1.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208   -1.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118   -0.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208   -0.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    0.9325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    1.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    2.4325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    2.9325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    2.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    1.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    3.9325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4888    0.9325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0298   -0.6553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4607   -0.3463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -2.4154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5398   -3.3289    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.9465   -4.2425    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.6262   -3.7357    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.4533   -2.9222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3031   -2.3109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7514   -2.6872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4795   -3.0114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3332   -1.5094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0023   -2.1588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3148   -0.0429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6684    0.2139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6238    2.7425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6238    1.1225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7578    4.2425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6839    4.2425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6676   -2.8124    0.0000 H   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  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  6 11  1  0  0  0  0
  9 12  1  0  0  0  0
  7 13  2  0  0  0  0
  5 14  1  0  0  0  0
  2 14  1  0  0  0  0
  4 15  1  0  0  0  0
  3 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 15 32  1  0  0  0  0
 21 33  1  0  0  0  0
M  CHG  2  18  -1  19  -1
M  END
> <UNIQUE_SMILES>
NC1=NC(=O)N(C=C1)C2OC(CO)C(O[P]([O-])([O-])=O)C2O

> <USER_SUPPLIED_SMILES>
C(C2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)OP([O-])([O-])=O))O

$$$$
