# Original data source:
Saubern, S., Guha, R. & Baell, J. B. KNIME Workflow to Assess PAINS
Filters in SMARTS Format. Comparison of RDKit and Indigo
Cheminformatics Libraries. Mol. Inform. 30, 847–850 (2011). 

  The paper: http://onlinelibrary.wiley.com/doi/10.1002/minf.201100076/full
  The workflow: http://www.myexperiment.org/workflows/1841.html

# Modifications
Many of the individual SMARTS definitions have been edited in order to
get them working properly with the RDKit.