org.openscience.*
-
-
-
"cdk:ACDLabsAtomLabel"
"cdk:AllRings"
"cdk:Annotations"
"cdk:AtomAtomMapping"
"cdk:AutonomName"
"cdk:BeilsteinRN"
"cdk:CasRN"
"cdk:Chemical Group"
"cip.label"
"cdk:Comment"
"cdk:CtabSgroups"
"cdk:Description"
public static final int
1
"cdk:EssentialRings"
"cdk:Formula"
public static final int
1
public static final int
2
public static final int
3
public static final int
4
public static final int
5
public static final int
6
public static final int
7
public static final int
8
public static final int
0
"cdk:InChI"
public static final int
512
public static final int
256
public static final int
2048
public static final int
8
public static final int
32
public static final int
64
public static final int
2
public static final int
4
"cdk:IsotropicShielding"
public static final int
1
"cdk:Lone Pair Count"
public static final int
128
public static final int
13
public static final int
1
"cdk:Names"
"carbon nmr shift"
"deuterium nmr shift"
"fluorine nmr shift"
"hydrogen nmr shift"
"nitrogen nmr shift"
"phosphorus nmr shift"
"sulfur nmr shift"
"nmr signal intensity"
"nmr signal multiplicity"
"1D NMR spectrum"
"1D NMR spectrum: DEPT135"
"1D NMR spectrum: DEPT90"
"2D NMR spectrum: HHCOSY"
"2D NMR spectrum: HMBC"
"2D NMR spectrum: HSQC"
"2D NMR spectrum: INADEQUATE"
"cdk:Part of ring of size"
"cdk:Pi Bond Count"
"cdk:ReactionConditions"
"cdk:ReactionGroup"
"cdk:ReactionRole"
public static final int
1024
"cdk:RelevantRings"
"cdk:Remark"
"cdk:RestH"
"cdk:RingConnections"
"cdk:RingSizes"
"cdk:Single Electron Count"
public static final int
4096
"cdk:SmallestRings"
"cdk:SMILES"
"cdk:HOSE code spherical matcher"
"cdk:SpinMultiplicity"
public static final int
-1
public static final int
1
public static final int
0
"cdk:Title"
"cdk:TotalConnections"
"cdk:TotalHydrogenCount"
public static final int
16
-
-
-
public static final double
0.529177249
public static final double
9.109534E-31
public static final double
1.6726485E-27
-
-
-
public static final int
2
public static final int
1
-
"jmol"
"modeling"
"structgen"
-
protected static final double
2.0
"eps"
"gif"
"jpg"
protected static final double
2.83464566751
"pdf"
"png"
"ps"
"svg"
"mm"
"px"
-
public static final double
-1.0
public static final double
0.56
public static final double
4.0
-
"org.openscience.cdk.dict"
-
public static final int
1
public static final int
2
public static final int
3
public static final int
4
public static final int
5
public static final int
6
public static final int
7
public static final int
8
-
public static final int
7
public static final int
1024
-
public static final int
881
-
public static final int
1024
-
org.openscience.cdk.geometry.cip.CIPTool
public static final int
-1
-
public static final boolean
false
-
org.openscience.cdk.graph.invariant.CanonOpts
public static final int
8
public static final int
0
-
public static final int
89
public static final int
47
public static final int
13
public static final int
95
public static final int
18
public static final int
33
public static final int
85
public static final int
79
public static final int
5
public static final int
56
public static final int
4
public static final int
107
public static final int
83
public static final int
97
public static final int
35
public static final int
6
public static final int
20
public static final int
48
public static final int
58
public static final int
98
public static final int
17
public static final int
96
public static final int
112
public static final int
27
public static final int
24
public static final int
55
public static final int
29
public static final int
105
public static final int
110
public static final int
66
public static final int
68
public static final int
99
public static final int
63
public static final int
9
public static final int
26
public static final int
114
public static final int
100
public static final int
87
public static final int
31
public static final int
64
public static final int
32
public static final int
1
public static final int
2
public static final int
72
public static final int
80
public static final int
67
public static final int
108
public static final int
53
public static final int
49
public static final int
77
public static final int
19
public static final int
36
public static final int
57
public static final int
3
public static final int
103
public static final int
71
public static final int
116
public static final int
115
public static final int
101
public static final int
12
public static final int
25
public static final int
42
public static final int
109
public static final int
7
public static final int
11
public static final int
41
public static final int
60
public static final int
10
public static final int
113
public static final int
28
public static final int
102
public static final int
93
public static final int
8
public static final int
118
public static final int
76
public static final int
15
public static final int
91
public static final int
82
public static final int
46
public static final int
61
public static final int
84
public static final int
59
public static final int
78
public static final int
94
public static final int
88
public static final int
37
public static final int
75
public static final int
104
public static final int
111
public static final int
45
public static final int
86
public static final int
44
public static final int
16
public static final int
51
public static final int
21
public static final int
34
public static final int
106
public static final int
14
public static final int
62
public static final int
50
public static final int
38
public static final int
73
public static final int
65
public static final int
43
public static final int
52
public static final int
90
public static final int
22
public static final int
81
public static final int
69
public static final int
117
public static final int
92
public static final int
23
public static final int
74
public static final int
0
public static final int
54
public static final int
39
public static final int
70
public static final int
30
public static final int
40
-
public static final int
17152
public static final int
17152
public static final int
17408
public static final int
17408
public static final int
255
public static final int
8448
public static final int
65280
public static final int
8448
public static final int
8704
public static final int
8704
public static final int
0
public static final int
16711680
public static final int
16515072
public static final int
18
public static final int
65536
public static final int
327680
public static final int
589824
public static final int
851968
public static final int
1114112
public static final int
1376256
public static final int
131072
public static final int
393216
public static final int
655360
public static final int
917504
public static final int
1179648
public static final int
1441792
public static final int
196608
public static final int
33024
public static final int
37120
public static final int
37120
public static final int
33024
public static final int
1
public static final int
24832
public static final int
24832
public static final int
1
public static final int
28928
public static final int
28928
public static final int
2
public static final int
17664
public static final int
17666
public static final int
17665
public static final int
20736
public static final int
17667
public static final int
17664
public static final int
20736
public static final int
20992
public static final int
16896
public static final int
16896
public static final int
2
public static final int
20992
-
public static final boolean
false
public static final double
0.529177249
public static final boolean
true
"Unexpected end of input!"
-
"Unexpected end of input"
-
"Unexpected end of input"
-
-
"ForceWriteAs2DCoordinates"
"ProgramName"
"WriteAromaticBondTypes"
"WriteDefaultProperties"
"WriteMajorIsotopes"
"WriteQueryFormatValencies"
-
"%-5s"
"%8.3f"
"%s"
"%5d"
-
"writeV3000"
"TruncateLongData"
"writeProperties"
-
-
public final boolean
false
public final boolean
true
-
"PC-Conformer"
"PC-Conformer_x"
"PC-Conformer_x_E"
"PC-Conformer_y"
"PC-Conformer_y_E"
"PC-Conformer_z"
"PC-Conformer_z_E"
"PC-Atoms"
"PC-AtomInt"
"PC-AtomInt_aid"
"PC-AtomInt_value"
"PC-Atoms_charge"
"PC-Atoms_element"
"PC-Bonds"
"PC-Bonds_aid1"
"PC-Bonds_aid2"
"PC-Bonds_order"
"PC-Coordinates_aid"
"PC-Coordinates_aid_E"
"PC-Compound_coords"
"PC-Element"
"PC-Compound"
"PC-CompoundType_id_cid"
"PC-Compound_id"
"PC-Compounds"
"PC-ID_id"
"PC-Substance"
"PC-Substance_sid"
"PC-InfoData_value_binary"
"PC-InfoData_value_fval"
"PC-InfoData"
"PC-InfoData_value_sval"
"PC-Urn_label"
"PC-Urn_name"
"PC-Compound_props"
-
org.openscience.cdk.isomorphism.matchers.Expr
public static final int
-1
-
org.openscience.cdk.isomorphism.matchers.RGroup
-
org.openscience.cdk.isomorphism.matchers.RGroupList
-
public static final int
2
public static final int
7
public static final int
4
public static final int
1
-
public static final int
25
public static final int
69
public static final int
49
public static final int
103
public static final int
41
public static final int
135
public static final int
50
public static final int
51
public static final int
40
public static final int
27
public static final int
111
public static final int
110
public static final int
64
public static final int
137
public static final int
60
public static final int
112
public static final int
85
public static final int
35
public static final int
9
public static final int
101
public static final int
62
public static final int
138
public static final int
116
public static final int
58
public static final int
33
public static final int
78
public static final int
90
public static final int
5
public static final int
2
public static final int
24
public static final int
97
public static final int
23
public static final int
136
public static final int
32
public static final int
4
public static final int
22
public static final int
0
public static final int
31
public static final int
3
public static final int
14
public static final int
77
public static final int
124
public static final int
44
public static final int
11
public static final int
139
public static final int
28
public static final int
0
public static final int
1
public static final int
126
public static final int
7
public static final int
121
public static final int
140
public static final int
34
public static final int
59
public static final int
122
public static final int
104
public static final int
107
public static final int
99
public static final int
72
public static final int
89
public static final int
13
public static final int
12
public static final int
19
public static final int
18
public static final int
125
public static final int
43
public static final int
105
public static final int
36
public static final int
92
public static final int
86
public static final int
68
public static final int
143
public static final int
109
public static final int
54
public static final int
42
public static final int
129
public static final int
61
public static final int
82
public static final int
102
public static final int
93
public static final int
141
public static final int
6
public static final int
79
public static final int
118
public static final int
133
public static final int
94
public static final int
75
public static final int
48
public static final int
37
public static final int
142
public static final int
21
public static final int
53
public static final int
20
public static final int
46
public static final int
45
public static final int
52
public static final int
88
public static final int
38
public static final int
47
public static final int
95
public static final int
17
public static final int
39
public static final int
96
public static final int
134
public static final int
115
public static final int
56
public static final int
117
public static final int
119
public static final int
8
public static final int
131
public static final int
65
public static final int
84
public static final int
91
public static final int
57
public static final int
87
public static final int
73
public static final int
120
public static final int
66
public static final int
81
public static final int
113
public static final int
98
public static final int
55
public static final int
26
public static final int
63
public static final int
76
public static final int
83
public static final int
114
public static final int
123
public static final int
16
public static final int
106
public static final int
130
public static final int
127
public static final int
108
public static final int
70
public static final int
15
public static final int
80
public static final int
10
public static final int
132
public static final int
74
public static final int
30
public static final int
29
public static final int
128
public static final int
67
public static final int
100
public static final int
71
-
public static final boolean
false
-
public static final boolean
true
"Weight"
-
"http://www.xml-cml.org/schema"
-
org.openscience.cdk.libio.jena.CDK
"http://cdk.sourceforge.net/model.owl#"
-
public static final double
1.0
-
"data/ringTemplateStructures.sdf.gz"
-
-
public static final int
0
public static final int
1
public static final int
2
public static final int
3
public static final int
4
public static final int
5
public static final int
6
public static final int
7
public static final int
8
public static final int
9
public static final int
13
public static final int
14
public static final int
15
public static final int
16
public static final int
17
public static final int
18
public static final int
10
public static final int
11
public static final int
12
-
public static final double
30.0
-
public static final int
1
public static final int
0
public static final int
2
-
public static final int
0
public static final int
1
-
"stdgen.annotation.label"
"stdgen.hidden"
"stdgen.hidden.fully"
"stdgen.highlight.color"
"std.itl:"
-
public static final boolean
false
-
-
-
-
-
-
public static final int
1
public static final int
2
-
-
"Cannot compute Tanimoto of two empty fingerprints!"
-
org.openscience.cdk.smarts.Smarts
public static final int
4
public static final int
1
public static final int
64
public static final int
2
public static final int
1
public static final int
8
public static final int
16
-
-
"CanonicalLabel"
"InvariancePair"
-
public static final int
1801
public static final int
4
public static final int
33554437
public static final int
8
public static final int
2048
public static final int
1
public static final int
4096
public static final int
8192
public static final int
32768
public static final int
65536
public static final int
12288
public static final int
4194304
public static final int
8388864
public static final int
1048576
public static final int
2097152
public static final int
262144
public static final int
524288
public static final int
131072
public static final int
12550400
public static final int
12562688
public static final int
12551944
public static final int
0
public static final int
3
public static final int
1800
public static final int
1792
public static final int
512
public static final int
1280
public static final int
1024
public static final int
256
public static final int
1
public static final int
1803
public static final int
16
-
public static final boolean
false
-
public static final int
34
public static final int
35
public static final int
117
public static final int
90
public static final int
61
public static final int
122
public static final int
14
public static final int
63
public static final int
13
public static final int
21
public static final int
77
public static final int
113
public static final int
0
public static final int
107
public static final int
23
public static final int
98
public static final int
57
public static final int
111
public static final int
124
public static final int
31
public static final int
16
public static final int
24
public static final int
65
public static final int
36
public static final int
91
public static final int
132
public static final int
125
public static final int
30
public static final int
123
public static final int
71
public static final int
68
public static final int
97
public static final int
73
public static final int
46
public static final int
11
public static final int
1
public static final int
38
public static final int
10
public static final int
8
public static final int
43
public static final int
139
public static final int
0
public static final int
141
public static final int
126
public static final int
136
public static final int
27
public static final int
70
public static final int
127
public static final int
115
public static final int
52
public static final int
75
public static final int
137
public static final int
76
public static final int
45
public static final int
54
public static final int
3
public static final int
55
public static final int
100
public static final int
108
public static final int
140
public static final int
53
public static final int
32
public static final int
92
public static final int
105
public static final int
64
public static final int
79
public static final int
2
public static final int
39
public static final int
40
public static final int
99
public static final int
56
public static final int
130
public static final int
144
public static final int
128
public static final int
60
public static final int
69
public static final int
85
public static final int
17
public static final int
25
public static final int
59
public static final int
84
public static final int
133
public static final int
58
public static final int
72
public static final int
129
public static final int
5
public static final int
131
public static final int
18
public static final int
26
public static final int
4
public static final int
104
public static final int
20
public static final int
28
public static final int
119
public static final int
110
public static final int
89
public static final int
44
public static final int
134
public static final int
112
public static final int
145
public static final int
106
public static final int
121
public static final int
37
public static final int
48
public static final int
47
public static final int
15
public static final int
42
public static final int
41
public static final int
116
public static final int
80
public static final int
103
public static final int
88
public static final int
114
public static final int
87
public static final int
19
public static final int
29
public static final int
6
public static final int
94
public static final int
146
public static final int
22
public static final int
78
public static final int
62
public static final int
135
public static final int
93
public static final int
81
public static final int
12
public static final int
101
public static final int
138
public static final int
86
public static final int
95
public static final int
118
public static final int
66
public static final int
109
public static final int
142
public static final int
120
public static final int
9
public static final int
7
public static final int
49
public static final int
67
public static final int
102
public static final int
33
public static final int
1
public static final int
51
public static final int
50
public static final int
96
public static final int
82
public static final int
143
public static final int
74
public static final int
83
-
public static final int
31
public static final int
34
public static final int
33
public static final int
4
public static final int
35
public static final int
22
public static final int
24
public static final int
37
public static final int
38
public static final int
11
public static final int
21
public static final int
7
public static final int
14
public static final int
2
public static final int
23
public static final int
20
public static final int
8
public static final int
15
public static final int
5
public static final int
12
public static final int
32
public static final int
9
public static final int
16
public static final int
6
public static final int
13
public static final int
26
public static final int
1
public static final int
17
public static final int
25
public static final int
36
public static final int
29
public static final int
10
public static final int
30
public static final int
3
public static final int
0
public static final int
27
public static final int
19
public static final int
28
public static final int
18
-
protected static final int
A
0
protected static final int
B
1
protected static final int
C
2
protected static final int
D
3
protected static final int
E
4
protected static final int
F
5
-
protected static final int
A
0
protected static final int
B
1
protected static final int
C
2
protected static final int
D
3
protected static final int
E
4
protected static final int
F
5
-
protected static final int
A
0
protected static final int
B
1
protected static final int
C
2
protected static final int
D
3
protected static final int
E
4
protected static final int
F
5
-
protected static final int
A
0
protected static final int
B
1
protected static final int
C
2
protected static final int
D
3
protected static final int
E
4
protected static final int
F
5
-
protected static final int
A
0
protected static final int
B
1
protected static final int
C
2
protected static final int
D
3
protected static final int
E
4
protected static final int
F
5
-
protected static final int
A
0
protected static final int
B
1
protected static final int
C
2
protected static final int
D
3
protected static final int
E
4
protected static final int
F
5
-
public static final double
0.95
public static final double
0.05
public static final double
0.05
-
protected static final int
A
0
protected static final int
B
1
protected static final int
C
2
protected static final int
D
3
protected static final int
E
4
protected static final int
F
5
-
protected static final int
A
0
protected static final int
B
1
protected static final int
C
2
protected static final int
D
3
protected static final int
E
4
protected static final int
F
5
-
public static final int
2
public static final int
1
public static final int
0
-
public static final int
1
public static final int
2
-
"id"
"noOfAtoms"
"noOfBonds"
"residueName"
"residueNameShort"
-
public static final int
5
public static final int
6
public static final int
10
public static final int
12
public static final int
4
public static final int
8
-
public static final int
1
public static final int
2
public static final int
8
public static final int
32
public static final int
64
public static final int
256
public static final int
128
public static final int
16
public static final int
1024
public static final int
4
public static final int
512
public static final int
4096
public static final int
2048
public static final int
0
-
public static final int
1
-
public static final int
1
public static final int
0
-
public static final int
1
public static final int
5
public static final int
4
public static final int
5
public static final int
2
public static final int
6
public static final int
0
public static final int
3
-
"org.openscience.cdk.tools.Slf4jLoggingTool"
-
public static final boolean
false
-
public static final int
1
public static final int
2
public static final int
3
public static final int
4
-
public static final int
1
public static final int
2
public static final int
3
public static final int
4
-
public static final int
1
public static final int
2
-
"org.openscience.cdk.validate.error"
"org.openscience.cdk.validate.warning"