Table 3

	A	B	C	D	E	F	G	H	I	J	K	L	M	N	O	P	Q	R	S	T	U	V	W	X	Y	Z	AA	AB	AC	AD	AE	AF	AG	AH
1	Molecule	Exp	Reference	PM6-DH+	PM6	PM7	PM3	AM1	PM3	AM1	DFTB3	Chem	Reference	Reference	PM6-DH+	PM6	PM7	PM3	AM1	PM3	AM1	DFTB3		Reference	PM6-DH+	PM6	PM7	PM3	AM1	PM3	AM1	DFTB3	ChemAxon
2			pKa	COSMO	COSMO	COSMO	COSMO	COSMO	SMD	SMD	SMD	Axon	Molecule	pKa	COSMO	COSMO	COSMO	COSMO	COSMO	SMD	SMD	SMD		pKa	COSMO	COSMO	COSMO	COSMO	COSMO	SMD	SMD	SMD

3	Acebutolol	9.5	10.6	8.2	6.8	10.4	9.4	9.2	6.8	8.8	10.5	9.6	ethylisopropylamine	TRUE	TRUE	FALSE	TRUE	TRUE	TRUE	FALSE	TRUE	TRUE	TRUE	1.1	-1.3	-2.7	0.9	-0.1	-0.3	-2.7	-0.7	1.0	0.1	0.0784
4	Acyclovir	2.2	2.6	0.1	0.3	0.3	1.5	1.0	0.9	1.2	0.9	3.0	N-methylguanine	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	0.4	-2.1	-1.9	-1.9	-0.7	-1.2	-1.3	-1.0	-1.2	0.8	1.3924
5	Alphaprodine	8.7	10.1	6.5	6.5	9.0	8.5	8.6	7.9	8.0	6.2	8.9	1-methylpiperidine	TRUE	FALSE	FALSE	TRUE	TRUE	TRUE	TRUE	TRUE	FALSE	TRUE	1.4	-2.2	-2.2	0.3	-0.2	-0.1	-0.8	-0.7	-2.5	0.2	0.01
6	Alprenolol	9.6	10.6	6.8	6.8	9.1	8.1	8.8	7.4	7.9	8.6	9.7	ethylisopropylamine	TRUE	FALSE	FALSE	TRUE	TRUE	TRUE	FALSE	TRUE	TRUE	TRUE	1.1	-2.8	-2.8	-0.4	-1.5	-0.8	-2.2	-1.7	-0.9	0.1	0.5625
7	Atenolol	9.6	10.6	8.4	7.2	9.9	9.0	9.4	7.8	8.2	8.1	9.7	ethylisopropylamine	TRUE	TRUE	FALSE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	1.0	-1.2	-2.4	0.3	-0.6	-0.2	-1.7	-1.3	-1.4	0.1	0.0256
8	Benzocaine	2.5	4.6	0.2	0.3	1.3	2.6	1.8	2.6	1.8	0.8	2.8	aniline	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	2.1	-2.3	-2.2	-1.2	0.1	-0.7	0.1	-0.7	-1.7	0.3	0.49
9	Betahistine	10.0	10.5	9.3	8.7	10.2	8.6	9.5	8.6	8.9	10.6	9.8	ethylmethylamine	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	0.5	-0.7	-1.3	0.2	-1.4	-0.5	-1.4	-1.0	0.7	-0.2	0.2209
10	Betahistine+	3.9	5.8	2.9	3.8	3.1	4.9	3.3	4.5	2.8	-0.2	3.9	2-methylpyridine	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	1.9	-1.0	-0.1	-0.8	1.0	-0.6	0.6	-1.1	-4.1	0.0	0.36
11	Cefadroxil-	7.0	9.5	-2.8	1.2	1.0	0.1	1.6	7.6	4.6	-3.0	7.2	phenylethanamine										TRUE										0.3	0
12	Chloroquine	10.6	10.2	9.6	9.1	11.4	9.9	9.9	8.6	9.2	8.3	10.3	triethylamine	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	-0.4	-1.0	-1.5	0.8	-0.7	-0.7	-2.0	-1.4	-2.3	-0.3	0.49
13	Cimetidine0	6.8	6.8	6.1	6.1	4.1	5.1	5.5	4.2	5.2	5.3	6.5	4-methylimidazole	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	0.0	-0.7	-0.7	-2.7	-1.7	-1.3	-2.6	-1.6	-1.5	-0.3	1.69
14	Clomipramine	9.4	10.2	11.2	10.0	13.6	9.7	9.2	9.4	8.5	8.4	9.2	dimethylethylamine	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	0.8	1.8	0.6	4.2	0.3	-0.2	0.0	-1.0	-1.0	-0.2	0.0484
15	Clotrimazole	5.8	6.6	5.1	5.0	7.3	4.7	5.2	4.0	4.0	4.3	6.6	1-methylimidazole	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	0.9	-0.7	-0.8	1.5	-1.1	-0.6	-1.7	-1.7	-1.4	0.9	0.3025
16	Clozapine	7.5	10.0	5.9	5.7	7.2	8.2	7.8	7.1	7.1	6.2	7.4	N-ethyl-N-methylethanamine	TRUE	FALSE	FALSE	FALSE	TRUE	TRUE	FALSE	FALSE	FALSE	FALSE	2.5	-1.6	-1.8	-0.3	0.7	0.3	-0.4	-0.4	-1.3	-0.2	0.0784
17	Clozapine+	3.9	10.3	5.4	5.6	6.8	2.7	2.5	1.4	1.2	6.6	3.9	N-phenylethanimidamide	FALSE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	6.5	1.6	1.8	3.0	-1.2	-1.4	-2.5	-2.6	2.7	0.1	1.8225
18	Codeine	8.1	10.1	6.0	5.7	8.0	7.6	6.2	6.1	4.7	5.4	9.2	1-2-dimethylpiperidine	TRUE	FALSE	FALSE	TRUE	TRUE	FALSE	FALSE	FALSE	FALSE	TRUE	2.0	-2.1	-2.4	-0.1	-0.5	-1.9	-2.0	-3.4	-2.7	1.1	3.5721
19	Desipramine	10.3	10.5	10.8	10.9	11.9	9.9	9.5	9.8	8.9	9.4	10.0	ethylmethylamine	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	0.2	0.5	0.6	1.5	-0.4	-0.8	-0.5	-1.4	-0.9	-0.3	0.7056
20	Guanethidine	11.4	12.8	14.3	12.4	13.2	13.2	14.0	12.3	12.9	16.2	12.2	ethylguanidine	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	1.4	2.9	1.0	1.8	1.8	2.6	0.9	1.5	4.8	0.8	6.76
21	Histamine	9.7	10.6	9.5	9.5	9.7	8.9	9.9	9.0	9.4	12.9	9.8	ethylamine	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	0.9	-0.2	-0.2	0.0	-0.8	0.2	-0.7	-0.3	3.2	0.1	0.04
22	Hydroquinine	9.1	10.5	7.0	6.4	10.0	8.9	8.9	6.9	8.4	9.7	9.2	2-methylquinuclidine	TRUE	FALSE	FALSE	TRUE	TRUE	TRUE	FALSE	TRUE	TRUE	TRUE	1.4	-2.1	-2.7	0.9	-0.2	-0.2	-2.2	-0.8	0.6	0.0	0.0529
23	Hydroquinine+	4.1	4.5	2.7	2.1	3.8	1.8	2.2	3.1	1.7	3.1	4.0	leucoline	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	0.4	-1.4	-2.0	-0.3	-2.3	-1.9	-1.0	-2.4	-0.9	0.0	3.4596
24	Imipramine	9.6	10.2	9.9	8.9	12.0	9.6	9.3	9.3	8.4	8.6	9.2	dimethylethylamine	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	0.6	0.3	-0.7	2.5	0.0	-0.3	-0.2	-1.1	-0.9	-0.4	0.0676
25	Labetalol	7.3	10.6	7.0	6.4	9.4	7.5	9.9	7.2	8.4	8.0	9.8	ethylisopropylamine	FALSE	TRUE	TRUE	FALSE	FALSE	FALSE	TRUE	FALSE	FALSE	FALSE	3.3	-0.3	-0.9	2.0	0.2	2.6	-0.1	1.1	0.6	2.5	6.6564
26	Lidocaine	7.9	10.2	3.7	4.2	5.7	5.4	5.7	5.3	5.3	5.9	8.6	triethylamine	TRUE	FALSE	FALSE	FALSE	FALSE	FALSE	FALSE	FALSE	FALSE	TRUE	2.3	-4.2	-3.7	-2.2	-2.5	-2.2	-2.6	-2.6	-2.0	0.7	4.9284
27	Maprotiline	10.3	10.5	10.2	10.4	11.7	10.9	10.2	10.5	9.6	10.4	10.5	ethylmethylamine	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	0.2	-0.1	0.1	1.4	0.6	-0.1	0.3	-0.7	0.1	0.3	0.0081
28	Mechlorethamine	6.4	10.0	4.5	4.2	4.4	5.4	5.8	5.4	6.5	1.3	6.1	N-ethyl-N-methylethanamine	FALSE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	3.6	-1.9	-2.2	-2.0	-1.0	-0.6	-1.0	0.1	-5.1	-0.3	0.36
29	Metaproterenol	9.9	10.6	9.1	7.6	8.9	8.7	9.7	7.9	8.3	9.2	9.7	ethylisopropylamine	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	0.7	-0.8	-2.3	-1.0	-1.2	-0.2	-2.0	-1.6	-0.7	-0.2	0.0441
30	Metoprolol	9.6	10.6	6.8	6.7	9.8	8.7	9.4	7.3	8.6	9.4	9.7	ethylisopropylamine	TRUE	FALSE	FALSE	TRUE	TRUE	TRUE	FALSE	TRUE	TRUE	TRUE	1.0	-2.8	-2.9	0.3	-0.9	-0.2	-2.2	-0.9	-0.2	0.1	0.0256
31	Miconazole	6.4	6.6	5.5	6.0	5.0	5.2	5.4	4.6	5.2	5.1	6.8	1-methylimidazole	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	0.2	-0.9	-0.4	-1.4	-1.2	-1.0	-1.8	-1.2	-1.3	0.4	0.9801
32	Morphine	8.2	10.1	5.7	5.5	7.5	7.6	5.6	6.0	4.3	4.9	9.1	1-2-dimethylpiperidine	TRUE	FALSE	FALSE	TRUE	TRUE	FALSE	FALSE	FALSE	FALSE	TRUE	1.9	-2.5	-2.7	-0.7	-0.6	-2.6	-2.2	-3.9	-3.3	0.9	6.76
33	Nafronyl	9.1	10.2	8.8	6.6	13.3	7.3	7.7	6.9	7.7	8.1	9.0	triethylamine	TRUE	TRUE	FALSE	TRUE	FALSE	TRUE	FALSE	TRUE	TRUE	TRUE	1.1	-0.3	-2.5	4.2	-1.8	-1.4	-2.2	-1.4	-1.0	-0.1	1.9044
34	Nefopam	8.5	10.0	6.8	6.8	8.8	7.4	7.8	6.6	7.0	7.9	7.9	N-ethyl-N-methylethanamine	TRUE	FALSE	FALSE	TRUE	TRUE	TRUE	FALSE	FALSE	TRUE	TRUE	1.5	-1.7	-1.7	0.3	-1.1	-0.7	-1.8	-1.5	-0.5	-0.5	0.4356
35	Niacine-	4.8	5.2	3.9	3.9	6.1	5.4	5.3	4.8	4.1	5.1	4.2	pyridine	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	0.4	-0.9	-0.9	1.3	0.6	0.5	0.0	-0.7	0.3	-0.6	0.25
36	Nicotine	8.1	10.3	7.2	7.3	8.1	8.4	8.5	8.3	8.0	7.3	8.6	1-2-dimethylpyrrolidine	TRUE	FALSE	FALSE	TRUE	TRUE	TRUE	TRUE	TRUE	FALSE	TRUE	2.2	-0.9	-0.8	0.0	0.3	0.4	0.2	-0.1	-0.8	0.5	0.1849
37	Nicotine+	3.2	5.2	1.7	1.8	2.4	1.6	1.7	1.4	1.3	-0.7	2.7	pyridine	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	2.0	-1.5	-1.4	-0.8	-1.6	-1.5	-1.8	-1.9	-3.9	-0.5	2.3716
38	Nikethamide	3.5	5.2	2.0	2.4	3.6	2.5	2.6	2.0	1.8	2.1	3.6	pyridine	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	1.7	-1.5	-1.1	0.1	-1.0	-0.9	-1.5	-1.7	-1.4	0.1	0.81
39	Papaverine	6.4	6.0	3.9	4.4	4.7	4.9	5.0	3.5	4.0	7.3	6.0	1-methylisoquinoline	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	-0.4	-2.5	-2.0	-1.7	-1.5	-1.4	-2.9	-2.4	0.9	-0.4	1.96
40	p-Chloroamphetamine	9.9	10.4	9.0	9.0	10.0	9.2	8.7	8.8	8.2	8.9	10.0	isopropylamine	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	0.6	-0.9	-0.9	0.1	-0.7	-1.2	-1.1	-1.6	-1.0	0.2	1.3225
41	Phenacaine	9.3	10.3	10.3	10.1	10.8	8.6	7.7	8.1	6.9	12.2	8.4	N-phenylethanimidamide	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	FALSE	TRUE	TRUE	1.0	1.0	0.8	1.5	-0.7	-1.6	-1.2	-2.4	2.9	-0.9	2.56
42	Phenylalanine-	8.9	9.5	9.7	9.3	10.1	9.4	9.2	8.4	8.1	9.3	9.5	alanine-	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	0.6	0.8	0.4	1.2	0.5	0.3	-0.5	-0.8	0.4	0.6	0.1156
43	Piroxicam	5.3	6.5	5.7	0.5	7.1	6.3	7.7	4.9	6.2	2.3	3.8	aminopyridine	TRUE	TRUE	TRUE	TRUE	TRUE	FALSE	TRUE	TRUE	TRUE	TRUE	1.3	0.5	-4.8	1.8	1.1	2.5	-0.4	1.0	-2.9	-1.5	6.0025
44	Prazosin	7.0	7.0	4.6	4.9	6.1	5.0	5.7	4.8	3.6	7.7	5.6	2-4-quinazolinediamine	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	FALSE	TRUE	0.0	-2.4	-2.1	-0.8	-2.0	-1.3	-2.2	-3.3	0.8	-1.4	1.5625
45	Procaine	9.1	10.2	8.6	6.7	10.9	8.6	8.3	8.5	9.1	9.2	9.0	triethylamine	TRUE	TRUE	FALSE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	1.1	-0.5	-2.4	1.8	-0.5	-0.8	-0.6	0.0	0.1	-0.1	0.6561
46	Procaine+	2.0	4.6	-1.0	-0.7	-0.2	2.0	1.4	1.3	0.2	-1.9	2.7	aniline	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	2.6	-3.0	-2.7	-2.2	0.0	-0.6	-0.7	-1.8	-4.0	0.7	0.3844
47	Propanolol	9.6	10.6	5.2	6.8	8.8	8.3	8.4	7.5	7.7	8.5	9.7	ethylisopropylamine	TRUE	FALSE	FALSE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	1.0	-4.4	-2.8	-0.8	-1.3	-1.2	-2.1	-1.9	-1.1	0.1	1.4641
48	Quinine	8.5	10.5	6.9	6.5	9.6	8.4	8.5	6.5	8.0	8.2	9.1	2-methylquinuclidine	TRUE	FALSE	FALSE	TRUE	TRUE	TRUE	FALSE	TRUE	TRUE	TRUE	2.0	-1.6	-2.0	1.1	-0.1	0.0	-2.0	-0.5	-0.3	0.6	0.0004
49	Sotalol	9.3	10.6	7.4	8.1	8.3	9.3	8.0	7.9	7.5	9.1	9.4	ethylisopropylamine	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	1.3	-1.9	-1.2	-1.0	0.0	-1.3	-1.5	-1.8	-0.2	0.1	1.7161
50	Sparteine	12.0	10.3	14.4	13.5	15.9	11.7	12.3	10.8	12.1	9.5	9.2	quinolizidine	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	-1.7	2.4	1.5	3.9	-0.3	0.3	-1.2	0.1	-2.5	-2.8	0.09
51	Tetracaine	8.5	10.2	9.3	7.8	10.7	9.6	9.0	9.1	9.3	8.7	8.4	dimethylethylamine	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	1.7	0.8	-0.7	2.2	1.1	0.5	0.6	0.8	0.2	-0.1	0.2304
52	Thenyldiamine	8.9	10.2	11.5	9.3	13.1	9.4	8.7	9.1	8.5	8.6	8.8	dimethylethylamine	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	1.3	2.6	0.4	4.2	0.5	-0.2	0.2	-0.4	-0.3	-0.1	0.04
53	Trazodone	6.8	10.2	4.7	3.7	8.1	6.4	6.7	6.2	4.9	6.4	7.1	triethylamine	FALSE	TRUE	TRUE	FALSE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	3.4	-2.1	-3.1	1.3	-0.4	-0.1	-0.6	-1.9	-0.3	0.3	0.0064
54	Trimipramine	9.4	10.2	11.9	10.2	13.7	10.2	10.2	9.4	10.1	8.1	9.4	dimethylethylamine	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	0.8	2.5	0.8	4.3	0.8	0.8	0.0	0.7	-1.3	0.0	0.6561
55	Tryptophan-	9.1	9.5	9.6	9.2	11.3	9.5	9.8	8.9	8.4	10.6	9.4	alanine-	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	TRUE	0.4	0.5	0.1	2.2	0.4	0.7	-0.2	-0.7	1.5	0.3	0.49
56	RMSE		1.8	2.3	2.1	2.0	1.3851	1.3	1.5	1.6	2.4	0.7		92	77	69	92	94	90	79	87	85	96	1.3	-0.9	-1.3	0.6	-0.5	-0.4	-1.1	-1.1	-0.7	0.7	1.126069303
57	Upper		2.1	2.7	2.4	2.4	1.630	1.6	1.8	1.9	2.8	0.8												1.2	1.6	1.4	1.8	0.9	1.1	1.0	1.1	1.9	0.8	0.7570006605
58	Lower		1.4	1.8	1.6	1.6	1.0868	1.1	1.2	1.3	1.9	0.6																						1.1461
59	MAX AE		6.5	9.8	5.8	5.9	6.9	5.4	2.9	3.9	9.9	2.8																			0.3	2.0
60	RMSE		1.8	1.8	1.9	1.8	1.0	1.1	1.5	1.6	2.0	0.7																			0.0	-0.2
61	Upper		2.1	2.2	2.3	2.2	1.2	1.3	1.8	1.9	2.3	0.9		PM3/COSMO	2.62	1.87															0.3	-1.5
62	Lower		1.4	1.4	1.5	1.4	0.8	0.9	1.2	1.2	1.6	0.6			4.00	1.83															-0.7	0.1
63	MAX AE		6.5	4.4	4.8	4.3	2.5	2.6	2.9	3.9	5.1	2.8																			-0.3	-0.4
64			0.7	0.8	0.9	0.8	0.0	0.1	0.5	0.6	1.0	-0.3																			0.3	-0.7
65			0.2	0.2	0.3	0.3	0.0	0.1	0.2	0.2	0.3	0.1		0.7827701602																	0.0	1.7
66			0.4	0.9	0.7	0.6	0.0	-0.040	0.1	0.2	1.0			0.2																	-0.1	-3.1
67			0.2	0.3	0.2	0.2	0.1	0.083	0.2	0.1	0.3			0.2																	1	1
68	Upper		0.3	0.4	0.4	0.4	0.2	0.2	0.3	0.3	0.4																				-0.4	-1.3
69	lower		0.4	0.5	0.4	0.4	0.3	0.3	0.3	0.3	0.5																				-0.6	-0.5
70	no zwit		1.8	1.9	2.0	1.9	1.0	1.2	1.6	1.6	2.0																				0.0	0.0
71			2.1	2.2	2.3	2.2	1.2	1.4	1.8	1.9	2.4																				-0.7	-0.4
72			1.4	1.5	1.5	1.4	0.8	0.9	1.2	1.3	1.6																				0.6	-0.3
73	1						19																								-1.6	3.7
74	Acebutolol	9.5		9.1	8.1	9.8	9.9	9.6	8.0	9.9	11.3																				-2.4	-1.7
75	Acyclovir	2.2		1.0	1.6	-0.3	2.0	1.4	2.0	2.3	1.7																				-0.4	0.1
76	Alphaprodine	8.7		7.4	7.8	8.4	9.0	9.0	9.1	9.1	7.0																				2.5	5.8
77	Alprenolol	9.6		7.7	8.1	8.6	8.6	9.2	8.5	9.0	9.3																				0.7	4.2
78	Atenolol	9.6		9.3	8.5	9.3	9.5	9.8	9.0	9.3	8.9																				0.2	1.6
79	Benzocaine	2.5		1.1	1.6	0.7	3.1	2.2	3.8	3.0	1.5																				-1.4	0.1
80	Betahistine	10.0		10.2	10.0	9.6	9.1	9.9	9.7	10.1	11.4																				-0.1	0.1
81	Betahistine+	3.9		3.8	5.1	2.5	5.4	3.7	5.6	3.9	0.6																				2.1	1.6
82	Cefadroxil-	7.0		-1.9	2.5	0.4	0.6	2.0	8.7	5.7	-2.2																				-1.6	-1.0
83	Chloroquine	10.6		10.5	10.4	10.8	10.4	10.3	9.7	10.3	9.0																				0.3	1.1
84	Cimetidine0	6.8		7.0	7.4	3.5	5.6	5.9	5.3	6.3	6.0																				1.1	-4.1
85	Clomipramine	9.4		12.1	11.3	13.0	10.2	9.6	10.5	9.6	9.1																				-0.6	0.3
86	Clotrimazole	5.8		6.0	6.3	6.7	5.2	5.6	5.1	5.1	5.1																				0.1	0.8
87	Clozapine	7.5		6.8	7.0	6.6	8.7	8.2	8.3	8.2	6.9																				-0.2	-0.3
88	Clozapine+	3.9		6.3	6.9	6.2	3.2	2.9	2.5	2.4	7.3																				-2.9	-2.3
89	Codeine	8.1		6.9	7.0	7.4	8.1	6.6	7.2	5.8	6.1																				-0.4	0.0
90	Desipramine	10.3		11.7	12.2	11.3	10.4	9.9	10.9	10.0	10.1																				-0.5	0.5
91	Guanethidine	11.4		15.2	13.7	12.6	13.7	14.4	13.5	14.0	17.0																				0.3	1.3
92	Histamine	9.7		10.4	10.8	9.1	9.4	10.3	10.1	10.6	13.6																				0.9	0.2
93	Hydroquinine	9.1		7.9	7.7	9.4	9.4	9.3	8.1	9.5	10.4																				-0.9	-2.9
94	Hydroquinine+	4.1		3.6	3.4	3.2	2.3	2.6	4.2	2.8	3.9																				-0.7	-0.4
95	Imipramine	9.6		10.8	10.2	11.4	10.1	9.7	10.5	9.5	9.4																				-1.4	1.9
96	Labetalol	7.3		7.9	7.7	8.8	8.0	10.3	8.4	9.6	8.7																				-0.6	0.0
97	Lidocaine	7.9		4.6	5.5	5.2	5.9	6.1	6.4	6.5	6.7																				-1.4	3.9
98	Maprotiline	10.3		11.1	11.7	11.1	11.4	10.6	11.7	10.7	11.1																				0.2	1.4
99	Mechlorethamine	6.4		5.4	5.5	3.8	5.9	6.2	6.6	7.6	2.0																				2.0	-1.9
100	Metaproterenol	9.9		10.0	8.9	8.3	9.2	10.1	9.0	9.5	9.9																				-2.3	1.8