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DOCK_SWAP analogs showing 2D structure, PubChem (CID) and ZINCID codes, sidechain rank (Sid_rnk), and SGE scores (kcal/mol). Purchasable compounds denoted green rectangles. Parent celecoxib highlighted by solid green rounded rectangle (x-ray pose) and dashed green rounded rectangle (re-constructed parent). IC50 values in μM taken from PubChem CID searches. IC50_A = reference 49, IC50_B = reference 53, IC50_C= reference 54, and IC50_D = reference 55.
