HMDB0059811
     RDKit          3D
2-Nitro-p-cresol
 18 18  0  0  0  0  0  0  0  0999 V2000
    2.6972   -0.3765    0.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2606    0.0270    0.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9544    1.3624    0.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3692    1.7463    0.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4142    0.8212    0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7059    1.2578   -0.0018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0666   -0.5108   -0.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0332   -1.5417   -0.2102 N   0  0  0  0  0  4  0  0  0  0  0  0
   -3.0832   -1.3649   -0.8182 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7527   -2.7518    0.3579 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.2698   -0.9111   -0.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2350   -0.0752   -0.8608 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7586   -1.4500    0.2651 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1648    0.1536    0.9007 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7531    2.1021    0.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6687    2.7878    0.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5177    0.6960   -0.0681 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5179   -1.9722   -0.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  7 11  2  0
 11  2  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  3 15  1  0
  4 16  1  0
  6 17  1  0
 11 18  1  0
M  CHG  2   8   1  10  -1
M  END