Greg Landrum contributed these data sets from DUD:

ache_clustered_3D_MM_10.sdf
ache_clustered_3D_MM_9.sdf
ar_clustered_3D_MM_3.sdf
cox2_clustered_3D_MM_7.sdf
dhfr_clustered_3D_MM_2.sdf
dhfr_clustered_3D_MM_3.sdf
egfr_clustered_3D_MM_2.sdf
egfr_clustered_3D_MM_9.sdf
er_agonist_clustered_3D_MM_4.sdf
fgfr1_clustered_3D_MM_2.sdf
fxa_clustered_3D_MM_7.sdf
gpb_clustered_3D_MM_1.sdf
na_clustered_3D_MM_1.sdf
p38_clustered_3D_MM_9.sdf
pdgfrb_clustered_3D_MM_4.sdf
sahh_clustered_3D_MM_1.sdf
src_clustered_3D_MM_5.sdf


Jerome Hert contributed this data set of structures containing benzotriazole:

benzotriazole.sdf

Jerome Hert contributed these data sets from ZINC

ace.sdf
angii.sdf
cdk2.sdf
cox2.sdf
d2.sdf
estr1.sdf
estr2.sdf
h1.sdf
mmp3.sdf
test.sdf
thromb.sdf


These examples come from the SMSD distribution:

smsd_ADP_ATD.sdf
smsd_arom.smi
smsd_raw.smi
smsd_test_case.smi


This example comes from Rajarshi Guha's blog entry at http://blog.rguha.net/?p=113

rguha_blog_example.smi
