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. Author manuscript; available in PMC: 2017 Jun 27.
Published in final edited form as: J Chem Inf Model. 2016 May 26;56(6):1152–1163. doi: 10.1021/acs.jcim.5b00739

Table 3.

Novel Structures of Compounds for CB2 Identified from the in Silico Screen

Compound ID Structure Score Ki (μM) Compound ID Structure Score Ki (μM)
NSC93299 graphic file with name nihms849580t1.jpg 6.176 2.235 NSC273940 graphic file with name nihms849580t2.jpg 7.038 0.195
NSC745454 graphic file with name nihms849580t3.jpg 7.310 1.547 NSC296950 graphic file with name nihms849580t4.jpg 6.849 2.360
NSC162677 graphic file with name nihms849580t5.jpg 7.643 1.548 NSC402300 graphic file with name nihms849580t6.jpg 9.352 0.398
NSC273939 graphic file with name nihms849580t7.jpg 7.499 0.192 NSC618804 graphic file with name nihms849580t8.jpg 7.642 0.656
NSC273936 graphic file with name nihms849580t9.jpg 7.024 0.346 NSC669611 graphic file with name nihms849580t10.jpg 8.698 0.923