C21H32N7O16P3S
APtclcactv03241713322D 0   0.00000     0.00000
 
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
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  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
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 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  2 17  1  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
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 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
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 29 32  1  0  0  0  0
 27 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 26 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 38 44  1  0  0  0  0
 39 45  1  0  0  0  0
 45 46  2  0  0  0  0
 37 46  1  0  0  0  0
 22 47  1  0  0  0  0
 19 48  1  0  0  0  0
  1 49  1  0  0  0  0
  1 50  1  0  0  0  0
  1 51  1  0  0  0  0
  3 52  1  0  0  0  0
  3 53  1  0  0  0  0
  3 54  1  0  0  0  0
  4 55  1  0  0  0  0
  5 56  1  0  0  0  0
  8 57  1  0  0  0  0
  9 58  1  0  0  0  0
  9 59  1  0  0  0  0
 10 60  1  0  0  0  0
 10 61  1  0  0  0  0
 13 62  1  0  0  0  0
 14 63  1  0  0  0  0
 14 64  1  0  0  0  0
 15 65  1  0  0  0  0
 15 66  1  0  0  0  0
 16 67  1  0  0  0  0
 17 68  1  0  0  0  0
 17 69  1  0  0  0  0
 25 70  1  0  0  0  0
 25 71  1  0  0  0  0
 26 72  1  0  0  0  0
 27 73  1  0  0  0  0
 33 74  1  0  0  0  0
 34 75  1  0  0  0  0
 35 76  1  0  0  0  0
 41 77  1  0  0  0  0
 41 78  1  0  0  0  0
 43 79  1  0  0  0  0
 46 80  1  0  0  0  0
M  CHG  4  30  -1  32  -1  47  -1  48  -1
M  END
> <UNIQUE_SMILES>
CC(C)(CO[P]([O-])(=O)O[P]([O-])(=O)OCC1OC(C(O)C1O[P]([O-])([O-])=O)[N]2C=NC3=C2N=CN=C3N)C(O)C(=O)NCCC(=O)NCCS

> <USER_SUPPLIED_SMILES>
CC(C)(C(O)C(=O)NCCC(=O)NCCS)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]

$$$$
