HMDB0251418
     RDKit          3D
Dinitrobenzene sulfonic acid
 20 20  0  0  0  0  0  0  0  0999 V2000
    3.6944    0.0628    0.9330 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7182   -0.4834    0.3693 N   0  0  0  0  0  4  0  0  0  0  0  0
    2.8775   -1.8017    0.0226 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.5431    0.2557    0.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6279    1.6355   -0.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5007    2.3792   -0.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7134    1.7224   -0.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8070    0.3533   -0.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3407   -0.4804   -0.3194 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.2820   -1.4854   -1.4654 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4415    0.5259   -0.5609 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7335   -1.3128    1.0787 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3343   -0.3827    0.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2215   -1.7734    0.2028 N   0  0  0  0  0  4  0  0  0  0  0  0
   -0.2419   -2.1636    1.3132 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5623   -2.7254   -0.7184 O   0  0  0  0  0  1  0  0  0  0  0  0
    2.5893    2.1100    0.0208 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5160    3.4623   -0.4244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6008    2.3391   -0.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0245   -2.2374    0.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
  8 13  2  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 13  4  1  0
  5 17  1  0
  6 18  1  0
  7 19  1  0
 12 20  1  0
M  CHG  4   2   1   3  -1  14   1  16  -1
M  END