Computer-Aided Classification of New Psychoactive Substances

Table 3

Tanimoto coefficients for the atoms similarity.

Group 1	CID	9889172	117587582	10226340	57507911	56841530	57507905	56463
	9889172	1.0000	0.8462	0.6788	0.6140	0.5376	0.4901	0.4469
	117587582		1.0000	0.6788	0.5376	0.6140	0.4901	0.4469
	10226340			1.0000	0.5139	0.5774	0.4859	0.5054
	57507911				1.0000	0.7250	0.8497	0.5425
	56841530					1.0000	0.6635	0.5069
	57507905						1.0000	0.4953
	56463							1.0000
Group 2	CID	44397641	44397500	44397540	53494930	11616723	11493740	53394099
	44397641	1.0000	0.6609	0.7249	0.5777	0.7000	0.7654	0.5455
	44397500		1.0000	0.7840	0.5731	0.8467	0.6802	0.5545
	44397540			1.0000	0.6873	0.8526	0.7654	0.6545
	53494930				1.0000	0.6158	0.5888	0.6882
	11616723					1.0000	0.7357	0.5769
	11493740						1.0000	0.5490
	53394099							1.0000