C18H12N2O8
APtclcactv03241713412D 0   0.00000     0.00000
 
 40 42  0  0  0  0  0  0  0  0999 V2000
    5.8550   -0.8956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335   -0.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    0.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226    0.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4333    1.4179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7655    2.1622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7869    1.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4763    1.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1191    2.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1406    2.4941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4298    3.6508    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.4118    1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0796    0.8798    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.7225    2.5747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.8461    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.1279   -2.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -3.4556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -3.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.6508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -2.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -3.5168    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.6279   -1.7848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4409   -0.4341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2475   -1.1508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1432   -0.1523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7364    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6259    2.0072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9581    2.7515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8696    0.8776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4096   -2.0985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2933   -4.0225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0817   -3.7648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -4.2708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.0308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  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  2  0  0  0  0
  3  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  1 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  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  2  0  0  0  0
 15 23  1  0  0  0  0
 18 23  1  0  0  0  0
 21 24  2  0  0  0  0
 20 25  2  0  0  0  0
 16 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
  1 29  1  0  0  0  0
  2 30  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6 34  1  0  0  0  0
  8 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 19 39  1  0  0  0  0
 22 40  1  0  0  0  0
M  CHG  4  11  -1  13  -1  15   1  27  -1
M  END
> <UNIQUE_SMILES>
[O-]C(=O)C1CC(=CC=[N+]2C(CC3=CC(=O)C(=O)C=C23)C([O-])=O)C=C(N1)C([O-])=O

> <USER_SUPPLIED_SMILES>
C(C=C1(CC(NC(=C1)C(=O)[O-])C([O-])=O))=[N+]2(C(CC3(=CC(C(C=C23)=O)=O))C([O-])=O)

$$$$
