ACD/pKa

ID#	Compound	Experimental pK_a	ACD/pK_a v11	Prediction Error (+/-)
1	5-nitrobenzimidazole	4.17	4.4	0.3
2	2-chlorobenzimidazole	4.68	3.94	0.12
3	benzimidazole	5.61	5.67	0.18
4	1-methylbenzimidazole	5.57	5.72	0.25
5	1-ethylbenzimidazole	5.62	5.8	0.3
6	4-methylbenzimidazole	5.67	8.14	0.3
7	5-methylbenzimidazole	5.81	7.81	0.3
8	5,6-dimethylbenzimidazole	5.89	6.09	0.3
9	2-methylbenzimidazole	6.1	6.29	0.25
10	5-aminobenzimidazole	6.11	8.2	0.3
11	2-ethylbenzimidazole	6.2	6.17	0.12
12	2-ispropylbenzimidazole	6.23	6.13	0.12
13	2-aminobenzimidazole	7.18	7.55	0.12
14	1-phenylmethanamine	9.43	9.3	0.1
15	2-phenylethanamine	9.85	9.9	0.1
16	(2S)-1-phenylpropan-2-amine	9.96	9.94	0.1
17	(2S)-N-methyl-1-phenylpropan-2-amine	10.21	10.38	0.1
18	2-amino-1-phenylpropan-1-ol	9.11	8.47	0.1
19	4-(2-aminoethyl)benzene-1,2-diol	8.96	10.11	0.1
20	4-(2-amino-1-hydroxyethyl)benzene-1,2-diol	8.79	8.36	0.1
21	4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol	9.59	9.6	0.1
22	3-(2-aminoethyl)-1H-indol-5-ol	10.2	10.31	0.1
23	2-(methoxycarbonyl)-8-methyl-3-[(phenylcarbonyl)oxy]-8-azoniabicyclo[3.2.1]octane	8.6	8.97	0.6
24	(2S)-1-methyl-2-(pyridin-3-yl)pyrrolidinium	8	8	0.5
25	3,5-dichloroaniline	2.37	2.48	0.1
26	2-chloroaniline	2.64	2.65	0.1
27	3-fluoroaniline	3.58	3.58	0.1
28	3-chloroaniline	3.52	3.54	0.1
29	3-methoxyaniline	4.2	4.17	0.1
30	4-methoxyaniline	5.28	5.21	0.1
31	4-chloroaniline	4	3.97	0.1
32	4-methylaniline	5.09	5.04	0.1
33	2-fluoroaniline	3.2	3.2	0.1
34	4-fluoroaniline	4.65	4.66	0.1
35	N,N-diethylaniline	6.56	6.69	0.2
36	N,N-diethyl-2-methylaniline	7.18	7.22	0.38
37	1H-imidazo[2,1-a]isoindol-1-ol	8.6	14.45	0.58
38	2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole	10.5	10.42	0.4
39	2-benzyl-4,5-dihydro-1H-imidazole	10.3	10.9	0.4
40	4-nitroaniline	1	1.01	0.1
41	aniline	4.6	4.61	0.1
42	1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one	3.3	3.62	0.5
43	3-hydroxy-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one	1.6	1.8	0.5
44	3-hydroxy-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one	1.7	1.9	0.5
45	5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one	6.2	3.56	0.5
46	1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine	6.2	6.4	0.5
47	2,6-dichloro-N-(imidazolidin-2-ylidene)aniline	8.1	7.71	0.2
48	3,4-dihydroisoquinoline-2(1H)-carboximidamide	11.9	13.27	0.2
49	guanidine	13.8	13.27	0.7
50	1-methylguanidine	13.4	13.75	0.7
51	pyridin-2-amine	6.71	6.67	0.11
52	1,3-thiazol-2-amine	5.4	4.63	0.1
53	2-methyl-1H-imidazole	8	8.15	0.69
54	pyridin-3-amine	6	6.16	0.1
55	pyridin-4-amine	9.23	9.26	0.12
56	4-methylpyridine	6	5.94	0.1
57	1H-imidazole	7	7.18	0.61
58	isoquinoline	5.4	5.37	0.23
59	1,3,5-triazine-2,4,6-triamine	5	5.66	0.16
60	pyrazine	0.7	1	0.3
61	1H-pyrazole	2.5	2.57	0.17
62	pyridine	5.14	5.23	0.1
63	pyrimidine	1.3	1.29	0.1
64	quinoline	4.89	4.97	0.17
65	1,3-thiazole	2.8	2.3	0.1
66	1-methyl-1H-indole	-2.3	Not calculated	Not calculated
67	1-methyl-1H-pyrrole	-2.9	-2.8	0.7
68	2-methyl-1H-indole	-0.3	1.34	0.3
69	2-methyl-1H-pyrrole	-0.2	-0.26	0.7
70	3-methyl-1H-indole	-4.6	0.57	0.3
71	3-methyl-1H-pyrrole	-1	1.77	0.5
72	1H-indole	-3.6	-0.27	0.3
73	1H-pyrrole	-3.8	-0.27	0.5
74	ethane-1,2-diamine	10.7	9.89	0.1
75	propane-1,3-diamine	10.9	10.43	0.1
76	2-aminoethanol	9.5	9.16	0.1
77	cyclohexanamine	10.6	10.57	0.1
78	ethanamine	10.9	10.64	0.1
79	propan-2-amine	10.6	10.68	0.25
80	methanamine	10.62	10.66	0.1
81	butan-1-amine	10.8	10.69	0.1
82	2,2-dimethylpropan-1-amine	10.21	10.78	0.1
83	heptan-1-amine	10.7	10.69	0.1
84	hexan-1-amin	10.6	10.6	0.1
85	octan-1-amine	10.7	10.75	0.1
86	pentan-1-amine	10.6	10.69	0..1
87	propan-1-amine	10.7	10.66	0.1
88	butan-2-amine	10.56	10.74	0.1
89	2-methylpropan-2-amine	10.7	10.68	0.25
90	N,N'-dimethylethane-1,2-diamine	10.4	10.54	0.1
91	N-ethylethanamine	10.94	10.76	0.1
92	2-methyl-N-(2-methylpropyl)propan-1-amine	10.5	11.07	0.28
93	N-(propan-2-yl)propan-2-amine	11.1	10.76	0.29
94	N-methylmethanamine	10.7	10.73	0.1
95	N-butylbutan-1-amine	11.4	11.03	0.19
96	N-propylpropan-1-amine	11	10.94	0.19
97	N-(butan-2-yl)butan-2-amine	11.01	11.12	0.29
98	N-tert-butylcyclohexanamine	11.23	11.03	0.2
99	azetidine	11.3	11.26	0.2
100	morpholine	8.5	8.97	0.2
101	piperidine	11.1	10.45	0.1
102	pyrrolidine	11.3	10.96	0.1
103	1-(prop-2-en-1-yl)pyrrolidine	9.7	9.79	0.2
104	1-methylpiperidine	10.2	9.91	0.1
105	N-benzyl-N-ethylethanamine	9.5	9.72	0.25
106	N,N-dimethyl-1-phenylmethanamine	9	8.8	0.28
107	N,N-dimethylcyclohexanamine	10.7	10.72	0.1
108	N,N-dimethylethanamine	10.2	9.83	0.28
109	N,N,2-trimethylpropan-1-amine	9.91	9.67	0.28
110	N,N-dimethylpropan-2-amine	10.3	9.91	0.5
111	N,N-dimethylbutan-1-amine	10.02	9.83	0.28
112	N,N-dimethylpropan-1-amine	9.99	9.83	0.28
113	N,N-dimethylbutan-2-amine	10.4	9.91	0.5
114	2,3-dimethylbutan-2-amine	10.52	10.8	0.25
115	N,N-di(prop-2-en-1-yl)prop-2-en-1-amine	8.31	7.14	0.5
116	N,N-diethylethanamine	11	10.62	0.25
117	N,N-dimethylmethanamine	9.76	9.75	0.28
118	N,N-dibutylbutan-1-amine	10.89	9.99	0.5
119	N,N-dipropylpropan-1-amine	10.7	9.99	0.5
120	1,4-diazabicyclo[2.2.2]octane	8.2	8.19	0.1
121	1,3,5,7-tetraazatricyclo[3.3.1.13,7]decane	5.3	5.28	0.2
122	2-(1H-imidazol-4-yl)ethanamine	9.7	10.15	0.1
123	(1E)-N,N'-bis(4-ethoxyphenyl)ethanimidamide	9.3	9.65	0.5
124	phenylalanine	8.86	9.2	1.5
125	tryptophan	9.1	10.13	0.13
126	(6R,7R)-7-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate	6.96	6.71	0.1
127	1-(2-methylphenyl)methanamine	9.44	9.4	0.1
128	2-aminoethanethiol	10.5	10.34	0.1
129	1-(4-chlorophenyl)propan-2-amine	9.85	9.76	0.1
130	N-methyl-2-(pyridin-2-yl)ethanamine	9.97	9.75	0.1
130	N-methyl-2-(pyridin-2-yl)ethanamine	3.9	3.45	0.1
131	3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-methylpropan-1-amine	10.34	10.4	0.1
132	2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide	9.42	9.37	0.1
133	3-(9,10-ethanoanthracen-9(10H)-yl)-N-methylpropan-1-amine	10.29	10.62	0.1
134	5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol	9.91	9.53	0.1
135	1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol	9.56	9.45	0.1
136	1-(naphthalen-1-yloxy)-3-(propan-2-ylamino)propan-2-ol	9.52	9.43	0.1
137	N-{4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl}methanesulfonamide	9.31	9.4	0.5
138	N-{3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}butanamide	9.45	9.41	0.1
139	(3S,4R)-1,3-dimethyl-4-phenylpiperidin-4-yl propanoate	8.7	8.1	0.1
140	1-(propan-2-ylamino)-3-[2-(prop-2-en-1-yl)phenoxy]propan-2-ol	9.55	9.45	0.1
141	2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}acetamide	9.56	9.45	0.1
142	N4-(7-chloroquinolin-4-yl)-N1,N1-diethylpentane-1,4-diamine	10.6	10.47	0.25
143	2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine	6.8	7.12	0.61
144	3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine	9.42	9.46	0.28
145	8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine	7.52	7.14	0.42
145	8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine	3.85	5.34	0.2
146	(5a,6a)-3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol	8.09	8.23	0.4
146	(8a,9R)-6'-methoxy-10,11-dihydrocinchonan-9-ol	9.13	9.84	0.7
147	(8a,9R)-6'-methoxy-10,11-dihydrocinchonan-9-ol	4.06	4.77	0.49
148	3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine	9.56	9.49	0.28
149	N-(2,6-dimethylphenyl)-N2,N2-diethylglycinamide	7.93	8.53	0.25
150	2-chloro-N-(2-chloroethyl)-N-methylethanamine	6.4	6.4	0.3
151	2-(diethylamino)ethyl 3-(naphthalen-1-yl)-2-(tetrahydrofuran-2-ylmethyl)propanoate	9.08	9.21	0.25
152	3-[(2S)-1-methylpyrrolidin-2-yl]pyridine	3.24	3.21	0.5
152	3-[(2S)-1-methylpyrrolidin-2-yl]pyridine	8.07	8	0.5
153	(5a,6a)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol	9.3	9.48	0.4
154	2-(diethylamino)ethyl 4-aminobenzoate	2.02	2.12	0.1
154	2-(diethylamino)ethyl 4-aminobenzoate	9.11	9.24	0.25
155	(8a,9R)-6'-methoxycinchonan-9-ol	8.48	9.28	0.7
156	2-(dimethylamino)ethyl 4-(butylamino)benzoate	8.51	8.24	0.28
156	2-(dimethylamino)ethyl 4-(butylamino)benzoate	2.39	1.59	0.39
157	2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one	6.78	8.11	0.1
158	3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N,2-trimethylpropan-1-amine	9.39	9.38	0.28
159	sparteine	12	10.08	0.2
160	pyridin-2-amine	2.5	2.51	0.1
161	1-[2-(azocan-1-yl)ethyl]guanidine	11.4	13.35	0.7
162	2-amino-9-[(2-hydroxyethoxy)methyl]-1,9-dihydro-6H-purin-6-one	2.18	2.01	0.5
163	1-[(2-chlorophenyl)(diphenyl)methyl]-1H-imidazole	5.75	6.12	0.32
164	1-{2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole	6.39	6.66	0.12
165	5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine	8.46	9.16	0.7
166	pyridine-3-carboxylic acid	1.61	2.2	0.1
167	N,N-diethylpyridine-3-carboxamide	3.5	4.01	0.1
168	1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline	6.4	6.32	0.4
169	4-hydroxy-2-methyl-N-(pyridin-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide	5.25	4.5	1
170	N,N-dimethyl-N'-(pyridin-2-yl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine	8.9	9.02	0.28
171	[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl](furan-2-yl)methanone	6.95	6.45	0.5
172	(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate	9.9	9.98	0.4
173	6-chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide	9.5	9.78	0.2
173	6-chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide	6.5	5.95	0.42
174	3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine	9.27	9.41	0.28
175	7-chloro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one	3.3	3.4	0.1
176	2-(diphenylmethoxy)-N,N-dimethylethanamine	9	8.76	0.28
177	4-(dipropan-2-ylamino)-2-phenyl-2-(pyridin-2-yl)butanamide	10.4	10.1	0.28
178	2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid	3.9	3.67	0.36
179	4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbenzoic acid	3.9	3.04	0.36
180	4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one	8.3	8.49	0.1
181	5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione	7.44	7.31	0.1
181	5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione	12.2	12.34	0.5
182	5,5-diphenylimidazolidine-2,4-dione	8.3	8.33	0.5
183	4-amino-N-[2-(diethylamino)ethyl]benzamide	9.45	9.86	0.25
184	5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine	7.2	7.25	0.1
185	benzoic acid	4.21	4.2	0.1
186	4-methoxyphenol	10.27	10.4	0.13
187	4-ethoxyphenol	10.25	10.44	0.13
188	4-propoxyphenol	10.27	10.34	0.15
189	4-butoxyphenol	10.26	10.33	0.15
190	4-(pentyloxy)phenol	10.13	10.32	0.15
191	phenol	10.01	9.86	0.13
192	4-chlorophenol	9.45	9.47	0.13
193	3,4-dichlorophenol	8.22	8.56	0.18
194	4-iodophenol	9.45	9.3	0.13
195	3-bromoquinoline	2.74	2.53	0.11
196	N-methylalanine	4.86	2.32	0.1
197	5-(butan-2-yl)-5-ethylpyrimidine-2,4,6(1H,3H,5H)-trione	8	7.71	0.1
198	5-ethyl-5-(3-methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione	8.07	7.69	0.1
199	5-ethyl-2-hydroxy-5-(pentan-2-yl)pyrimidine-4,6(1H,5H)-dione	8.18	10.15	0.4
200	5-(pentan-2-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione	8.09	7.52	0.1
201	10-[3-(4-hydroxypiperidin-1-yl)propyl]-10H-phenothiazine-2-carbonitrile	8.76	9.01	0.1
202	2-[3-(phenylcarbonyl)phenyl]propanoic acid	4.29	4.23	0.1
203	2-[3-(phenylcarbonyl)phenyl]propanoic acid	9.66	9.73	0.1
204	1-[(2S)-2-methyl-3-sulfanylpropanoyl]-L-proline	3.48	3.58	0.2
205	sodium {2-[(2,6-dichlorophenyl)amino]phenyl}acetate	3.99	4.18	0.1
206	(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate	8.02	8.94	0.28
207	N-[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-L-alanyl-L-proline	5.5	5.43	0.39
208	3-{[(2-carbamimidamido-1,3-thiazol-4-yl)methyl]sulfanyl}-N-sulfamoylpropanimidamide	6.78	7.35	0.4
209	2-(2-fluorobiphenyl-4-yl)propanoic acid	4.33	4.14	0.1
210	6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide	10.17	9.57	0.2
211	(2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol	9.67	9.77	0.1
212	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	4.69	4.84	0.3
213	3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N-methylpropan-1-amine	10.11	10	0.1
214	(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl propanoate hydrochloride	9.08	9.19	0.28
215	2-chloro-N-(2-chloroethyl)-N-(2-methoxyethyl)ethanamine	5.45	5.53	0.5
216	4-[1-hydroxy-2-(propan-2-ylamino)ethyl]cyclohexanol	10.23	9.64	0.1
217	2-aminocycloheptanol	9.25	10.51	0.4
218	N,N-dimethylbut-2-yn-1-amine	8.28	7.37	0.28
219	2-[(2-chloroethyl)(methyl)amino]ethanol	7.48	7.53	0.5
220	2-acetylbutanedioic acid	2.86	3.38	0.23
221	N2-methylglycinamide	8.31	8.02	0.1
222	2-(dimethylamino)ethyl acetate	8.26	8.56	0.28
223	2,3-dihydroxy-2-(hydroxymethyl)propanoic acid	3.29	3.54	0.27
224	2,2'-(ethane-1,2-diyldisulfanediyl)diethanamine	9.47	9.29	0.1
225	4-(morpholin-4-yl)-2,2-diphenylpentanenitrile	6.05	7.35	0.19
226	benzene-1,2,3,4,5,6-hexol	9	9.17	0.33
227	2,4,6-trinitrophenol	0.33	0.62	0.1
228	2,6-dichlorobenzene-1,4-diol	7.3	7.75	0.23
229	4-bromobenzene-1,2-dicarboxylic acid	2.5	2.86	0.1
230	4-hydroxy-3,5-dimethoxybenzoic acid	4.34	4.33	0.1
231	3-iodo-4-(methylsulfanyl)aniline	3.44	3.39	0.1
232	4-bromo-3-nitroaniline	1.8	1.87	0.1
233	3-bromo-5-methoxypyridine	2.6	2.34	0.1
234	pyridazin-4-amine	6.65	6.71	0.1
235	6-chloropyridazin-4-amine	2.1	4.38	0.19
236	5-nitrothiophene-2-carboxylic acid	2.68	2.69	0.1
237	4-bromo-1H-pyrrole-2-carboxylic acid	4.06	4.06	0.1
238	furan-2,4-dicarboxylic acid	2.63	2.71	0.15
239	1H-pyrazole-3-carboxylic acid	3.74	3.98	0.1
240	acetic acid	4.76	4.79	0.1
241	bromoacetic acid	2.9	2.73	0.1
242	chloroacetic acid	2.82	2.65	0.1
243	dichloroacetic acid	1.26	1.37	0.1
244	trichloroacetic acid	0.63	0.09	0.18
245	trifluoroacetic acid	0.23	0.53	0.1
246	prop-2-enoic acid	4.25	4.25	0.1
247	formic acid	3.55	3.74	0.1
248	sulfanylacetic acid	3.67	3.73	0.1
249	propanoic acid	4.87	4.79	0.1
250	2-chloropropanoic acid	2.88	2.96	0.1
251	3-chloropropanoic acid	4	4	0.1
252	2-methylprop-2-enoic acid	4.66	4.58	0.11
253	butanoic acid	4.82	4.76	0.1
254	but-3-enoic acid	4.34	4.35	0.1
255	(2E)-but-2-enoic acid	4.7	4.8	0.1
256	2-methylpropanoic acid	4.86	4.85	0.1
257	pentanoic acid	4.86	4.78	0.2
258	3-methylbutanoic acid	4.78	4.78	0.1
259	2,2-dimethylpropanoic acid	5.05	4.94	0.1
260	cyanoacetic acid	2.45	2.47	0.1
261	2-bromobutanoic acid	2.55	2.95	0.1
262	hydroxyacetic acid	3.83	3.74	0.11
263	2-hydroxypropanoic acid	3.86	3.91	0.11
264	2-hydroxybutanoic acid	3.68	3.83	0.1
265	ethanedioic acid	1.27	1.38	0.54
266	propanedioic acid	2.83	2.92	0.32
267	butanedioic acid	4.2	4.24	0.1
268	pentanedioic acid	4.35	4.33	0.1
269	2-chlorobutanoic acid	2.84	2.95	0.1
270	4-chlorobutanoic acid	4.52	4.51	0.1
271	nitroacetic acid	1.68	2.07	0.1
272	difluoroacetic acid	1.24	1.34	0.1
273	fluoroacetic acid	2.59	2.62	0.1
274	2-bromopropanoic acid	2.97	3	0.1
275	3-bromopropanoic acid	3.99	4	0.1
276	4-bromobutanoic acid	4.58	4.51	0.1
277	(2Z)-but-2-enedioic acid	1.94	3.15	0.1

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This page was last updated 13 May 2008