Table I.

List of Studied Data Sets in Calculations and Related Properties

Set	Solute	T	A T	MRD	N	logS W	logS E	logS W–logS E	Ref.
1	Alanine (Beta)	298	32882.36	38.2	7	−0.816	−3.955	3.139	8
2	Alanine (DL)	298	29935.18	20.3	7	−1.490	−4.347	2.858	8
3	Asparagine (L)	298	35637.41	22.6	5	−2.468	−5.870	3.402	8
4	Aspartic acid (L)	298	31415.81	35.2	7	−3.168	−6.167	2.999	8
5	Clindamycin phosphate	278	50080.77	45.6	7	−0.754	−5.222	4.468	1
6	Clindamycin phosphate	283	36393.46	46.3	7	−0.745	−4.046	3.301	1
7	Clindamycin phosphate	288	35941.97	37.7	7	−0.731	−4.046	3.315	1
8	Clindamycin phosphate	293	34733.16	35.8	7	−0.700	−3.959	3.259	1
9	Clindamycin phosphate	298	33114.89	34.0	7	−0.693	−3.854	3.161	1
10	Clindamycin phosphate	303	30269.38	32.2	7	−0.679	−3.620	2.941	1
11	Clindamycin phosphate	308	28760.03	32.6	7	−0.664	−3.509	2.844	1
12	Clindamycin phosphate	313	27969.18	33.8	7	−0.652	−3.469	2.817	1
13	Clindamycin phosphate	318	26662.22	36.2	7	−0.642	−3.377	2.734	1
14	Clindamycin phosphate	323	25957.73	41.7	7	−0.635	−3.347	2.712	1
15	Clindamycin phosphate	328	25355.32	43.7	7	−0.629	−3.328	2.699	1
16	Clindamycin phosphate	333	24276.41	43.1	7	−0.619	−3.252	2.633	1
17	Clindamycin phosphate	338	22900.79	42.1	7	−0.599	−3.131	2.532	1
18	Clindamycin phosphate	343	21441.68	39.5	7	−0.534	−2.951	2.417	1
19	Dexamethasone sodium phosphate	298	22617.99	31.0	10	−1.598	−3.757	2.159	1
20	Glycine	298	35530.97	27.9	7	−1.246	−4.638	3.392	8
21	Glycyl glycine	298	45746.19	40.2	7	−1.522	−5.889	4.367	8
22	Leucine (L)	298	16991.14	25.2	7	−2.503	−4.125	1.622	8
23	Norleucine (DL)	298	14812.25	24.8	7	−2.801	−4.215	1.414	8
24	Sodium sulfadiazine	278	30661.88	17.8	11	−1.389	−4.124	2.735	4
25	Sodium sulfadiazine	283	30178.20	16.9	11	−1.371	−4.108	2.737	4
26	Sodium sulfadiazine	288	29687.43	17.0	11	−1.354	−4.092	2.738	4
27	Sodium sulfadiazine	293	29200.49	17.2	11	−1.337	−4.076	2.740	4
28	Sodium sulfadiazine	298	28714.22	18.1	11	−1.321	−4.062	2.741	4
29	Sodium sulfadiazine	303	28244.33	19.0	11	−1.304	−4.048	2.744	4
30	Sodium sulfadiazine	308	27752.49	20.6	11	−1.288	−4.033	2.745	4
31	Sodium sulfamerazine	278	22493.65	10.1	11	−1.936	−3.943	2.007	4
32	Sodium sulfamerazine	283	22293.56	10.9	11	−1.884	−3.906	2.022	4
33	Sodium sulfamerazine	288	21972.89	11.7	11	−1.831	−3.858	2.027	4
34	Sodium sulfamerazine	293	21728.39	13.6	11	−1.790	−3.829	2.039	4
35	Sodium sulfamerazine	298	21551.10	16.0	11	−1.736	−3.793	2.057	4
36	Sodium sulfamerazine	303	21371.01	18.9	11	−1.687	−3.763	2.076	4
37	Sodium sulfamerazine	308	21064.28	21.5	11	−1.642	−3.725	2.083	4
38	Sodium sulfamethazine	278	14728.76	8.5	11	−1.699	−3.013	1.314	4
39	Sodium sulfamethazine	283	14311.38	7.0	11	−1.656	−2.954	1.298	4
40	Sodium sulfamethazine	288	13810.28	9.3	11	−1.611	−2.885	1.274	4
41	Sodium sulfamethazine	293	13488.69	13.9	11	−1.568	−2.833	1.266	4
42	Sodium sulfamethazine	298	13211.81	17.7	11	−1.524	−2.785	1.261	4
43	Sodium sulfamethazine	303	12942.27	21.1	11	−1.479	−2.737	1.257	4
44	Sodium sulfamethazine	308	12938.35	23.7	11	−1.430	−2.709	1.280	4
45	Valine (DL)	298	22610.62	21.2	7	−1.967	−4.126	2.158	8

MRD mean relative deviation, DL mean racemic mixture of the solute, L mean L-enantiomer of the solute