File: lists_plus_values.mol

package info (click to toggle)
rdkit 202209.3-1
  • links: PTS, VCS
  • area: main
  • in suites: bookworm
  • size: 203,880 kB
  • sloc: cpp: 334,239; python: 80,247; ansic: 24,579; java: 7,667; sql: 2,123; yacc: 1,884; javascript: 1,358; lex: 1,260; makefile: 576; xml: 229; fortran: 183; cs: 181; sh: 101
file content (13 lines) | stat: -rw-r--r-- 312 bytes parent folder | download | duplicates (8) 
1
2
3
4
5
6
7
8
9
10
11
12
13
 

  -ISIS-  05260916352D

  2  1  1  0  0  0  0  0  0  0999 V2000
    5.0167    0.2042    0.0000 R#  0  0  0  0  0  0  0  0  0  4  0  0
    5.5255    0.4979    0.0000 L   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 F    2  35  53
V    2 halogen
M  RGP  1   1   3
M  ALS   2  2 F Br  I   
M  END