D02002
  

 24 24  0  0  0  0  0  0  0  0999 V2000
    6.8971  -10.4497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8971  -11.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3774  -12.2482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1947  -12.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1947  -13.2974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4925  -11.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4925  -10.4497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0121  -10.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1947   -9.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1947   -9.1005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8170  -12.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1148  -11.9482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1149  -11.3482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4125  -12.6974    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7982  -13.1571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0268  -13.1571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7102  -11.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3245  -11.4886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0958  -11.4885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0080  -12.6974    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.3056  -11.9482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8237  -14.1956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9483  -13.7570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0675  -13.7570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  4  1  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  1  9  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 14 17  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 11 22  2  0  0  0  0
 20 23  2  0  0  0  0
 20 24  2  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
> 
KEGG_DURG-00001884-01

> 
KEGG_DRUG

> 
KEGG_DRUG

> 
D02002

> 
C7H9N3O4S

> 
231.231

> 
0

> 
3

> 
5

> 
-11.2137

> 
-1.9590

> 
0

> 
OS(CNNC(c1ccncc1)=O)(=O)=O

> 
D08198 

> 
56841690 54605723 24839713 24188957 23724827 23691029 162044 3769

> 
Isoniazid sodium methanesulfonate hydrate;Isoniazid sodium methanesulfonate monohydrate;Isoniazid sodium methanesulfonate;IHMS;Neoiscotin

$$$$