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SDF Field Definitions
2009.12.10
Contact anang.shelat@stjude.org if you have any questions
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The SDF contains structure and DR data from the following assays: hMDMX, hMDM2, mMDMX, BJ,
  and HEPG2.  See the JBC paper for more details.

<assay>_ec50: calculated EC50 (uM)

<assay>_ec50_CI: confidence intervals for EC50 (uM) based on asymptotic limits

<assay>_ec50_curveClass: 
	A1_CONSENSUS = saturating curve, good statistics; 
	B1_consensus: reasonable curve, good statistics; 
	C1_consensus: questionable curve; 
	D1_consensus: inactive or failed DR calculation
NOTE: curve classifications are based on a heurisitic that works most of the time!

batch_comment: annotation information about the compound in our database

uniqueid: the supplier ID from the vendor

salt_name: name of any salt(s) present

salt_equivalents: number of salt equivalents

solvate_name: name of any solvate(s) present

solvate_equivalents: number of solvate equivalents

formula_weight: molecular weight of parent compound, salts, and solvates

source: origin of compound (e.g., vendor, in house synthesis, etc)

vendor_name: name of compound supplier

purity: percent purity

puritymethod: how purity was determined

molsmiles: molecular smiles