HMDB0040578
     RDKit          3D
4-Thiocyanatophenol
 15 15  0  0  0  0  0  0  0  0999 V2000
    4.1836   -0.3351   -1.6725 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4984   -0.7562   -0.8444 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253   -1.3846    0.4323 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8291   -0.6660    0.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1297   -1.2581   -0.6315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3569   -0.6289   -0.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6551    0.5767   -0.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9049    1.1578   -0.3771 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6912    1.1599    0.6137 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5335    0.5434    0.7796 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0864   -2.2098   -1.1238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0839   -1.1290   -1.4251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0918    1.8053   -1.1334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9370    2.1020    1.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2943    1.0226    1.4163 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10  4  1  0
  5 11  1  0
  6 12  1  0
  8 13  1  0
  9 14  1  0
 10 15  1  0
M  END