File: AtropManyChiralsEnhanced2.cxsmi.expected.cxsmi

package info (click to toggle)
rdkit 202503.1-5
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid
  • size: 220,160 kB
  • sloc: cpp: 399,240; python: 77,453; ansic: 25,517; java: 8,173; javascript: 4,005; sql: 2,389; yacc: 1,565; lex: 1,263; cs: 1,081; makefile: 580; xml: 229; fortran: 183; sh: 105
file content (1 line) | stat: -rw-r--r-- 433 bytes parent folder | download | duplicates (2) 
1
 
O=c1cc[nH]c(=O)n1C(=C)[C@]([C@H](C)Br)([C@@H](F)C)[C@H](Cl)C |(2.8625,1.0561,;2.2921,-0.5174,;3.4688,-1.0018,;3.6019,-2.4682,;2.3988,-3.3169,;1.0621,-2.6992,;0.1062,-3.9298,;0.9288,-1.2328,;-0.5563,-0.6124,;-1.5367,-1.8,;-0.8947,0.9647,;-0.8778,2.5678,;-0.1398,3.9298,;-1.9563,3.6407,;0.5974,1.3136,;1.1268,-0.0778,;1.9954,1.9251,;-2.4534,0.7177,;-3.6019,1.737,;-3.4495,-0.4655,),wD:14.15,wU:7.7,11.13,10.14,17.18,a:7,10,14,&1:11,17|