HMDB0032581
     RDKit          3D
1-(Isothiocyanatomethyl)-4-methoxybenzene
 21 21  0  0  0  0  0  0  0  0999 V2000
   -3.5560    0.9970    0.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8198    0.0105    0.7728 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4757   -0.2144    0.5182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7710    0.5066   -0.4285 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5658    0.2655   -0.6647 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2301   -0.7107    0.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6559   -0.9747   -0.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5282   -0.1660    0.6482 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3258    1.0969    0.6043 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6759    2.6685    0.5067 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5034   -1.4148    0.9861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8127   -1.1901    1.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5213    1.1516    0.5991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0033    1.9437   -0.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8335    0.6462   -0.9544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3151    1.2813   -0.9882 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0910    0.8550   -1.4209 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8846   -2.0267    0.0218 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9627   -0.7587   -1.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0212   -2.1892    1.5548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3361   -1.7774    1.9844 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  2  0
  6 11  1  0
 11 12  2  0
 12  3  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  4 16  1  0
  5 17  1  0
  7 18  1  0
  7 19  1  0
 11 20  1  0
 12 21  1  0
M  END