File: Issue3374639.1.mol

package info (click to toggle)
rdkit 201809.1%2Bdfsg-6
  • links: PTS, VCS
  • area: main
  • in suites: buster
  • size: 123,688 kB
  • sloc: cpp: 230,509; python: 70,501; java: 6,329; ansic: 5,427; sql: 1,899; yacc: 1,739; lex: 1,243; makefile: 445; xml: 229; fortran: 183; sh: 123; cs: 93
file content (15 lines) | stat: -rw-r--r-- 553 bytes parent folder | download | duplicates (8) 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
 
chembl_488131.simplified.sdf
  Mrv0540 07221107192D          

  5  4  0  0  0  0            999 V2000
   -1.1050   -0.1501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2937   -0.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4130    0.9012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1050    0.7751    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3662    0.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  2  5  1  1  0  0  0
M  END
$$$$