C35H28MgN4O5
APtclcactv03241713492D 0   0.00000     0.00000
 
 73 79  0  0  0  0  0  0  0  0999 V2000
    5.9434    4.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5423    3.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    2.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1011    2.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6767    3.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4242    1.8737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6181    1.2290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8442    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9104    1.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6519    0.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7182    0.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9223    0.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7182   -0.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9223   -1.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6519   -0.8340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9426   -1.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8764   -2.0263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6504   -1.4139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6129   -0.1191    0.0000 Mg  0  0  0  0  0  0  0  0  0  0  0  0
    7.4242   -1.9940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1334   -2.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1672   -2.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5786   -3.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9404   -3.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0110   -4.4966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9285   -2.5650    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    9.9214   -2.6837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3151   -3.6030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3080   -3.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5207   -1.8832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903   -1.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6794   -0.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0994   -0.0924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6471    0.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3579    1.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5825    0.4228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5825   -0.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3810   -1.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3016   -0.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1001   -1.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9780   -2.3492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0207   -0.9662    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.3783    1.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1995   -0.0924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5596    4.5652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5759    4.9960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9261    3.5120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1837    3.2360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0336    4.0999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1697    3.9498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4720    2.0213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2977    1.4895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4289    1.3715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5469    0.5026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0007   -1.7959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9216   -0.1794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5066   -1.1698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5064   -2.1761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0774   -3.3713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2137   -4.2374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0798   -4.1011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2344   -4.3373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9237   -3.7953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3816   -3.1061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7944    2.0232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9274   -1.5679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7185   -1.6653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7551   -0.3320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9640   -0.2346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7537    0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8716    1.4039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    1.5218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  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  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  7 20  1  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
 23 24  1  0  0  0  0
 18 23  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 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
 28 31  2  0  0  0  0
 27 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
  6 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  2  0  0  0  0
 33 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 37 44  1  0  0  0  0
 21 32  2  0  0  0  0
 16 45  2  0  0  0  0
 10 45  1  0  0  0  0
  3  8  2  0  0  0  0
  1 46  1  0  0  0  0
  1 47  1  0  0  0  0
  2 48  1  0  0  0  0
  5 49  1  0  0  0  0
  5 50  1  0  0  0  0
  5 51  1  0  0  0  0
  9 52  1  0  0  0  0
 12 53  1  0  0  0  0
 12 54  1  0  0  0  0
 12 55  1  0  0  0  0
 14 56  1  0  0  0  0
 15 57  1  0  0  0  0
 15 58  1  0  0  0  0
 17 59  1  0  0  0  0
 24 60  1  0  0  0  0
 24 61  1  0  0  0  0
 24 62  1  0  0  0  0
 30 63  1  0  0  0  0
 30 64  1  0  0  0  0
 30 65  1  0  0  0  0
 36 66  1  0  0  0  0
 39 67  1  0  0  0  0
 39 68  1  0  0  0  0
 40 69  1  0  0  0  0
 40 70  1  0  0  0  0
 44 71  1  0  0  0  0
 44 72  1  0  0  0  0
 44 73  1  0  0  0  0
M  CHG  2  27  -1  43  -1
M  END
> <UNIQUE_SMILES>
COC(=O)[C-]1C(=O)C2=C(C)C3=CC4=NC(=CC5=C(C=C)C(=C6C=C7N=C(C(=C7C)CCC([O-])=O)C1=C2N3[Mg][N]56)C)C(=C4C=C)C

> <USER_SUPPLIED_SMILES>
C=CC7(C(C)=C3(N1(C(C=C6(C(C)=C(C=C)C(C=C2(N([Mg]1)C5(C(=C(C)2)C(=O)[C-](C(OC)=O)C(C4(=NC(=C3)C(=C4CCC(=O)[O-])C))=5)))=N6))=7)))

$$$$
