lazar 0.0.5 → 0.0.6

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Files changed (64) hide show
  1. checksums.yaml +4 -4
  2. data/.gitignore +10 -0
  3. data/.yardopts +4 -0
  4. data/Gemfile +2 -0
  5. data/LICENSE +674 -0
  6. data/README.md +44 -0
  7. data/Rakefile +1 -0
  8. data/VERSION +1 -0
  9. data/ext/lazar/Makefile +5 -0
  10. data/java/CdkDescriptorInfo.class +0 -0
  11. data/java/CdkDescriptorInfo.java +22 -0
  12. data/java/CdkDescriptors.class +0 -0
  13. data/java/CdkDescriptors.java +141 -0
  14. data/java/Jmol.jar +0 -0
  15. data/java/JoelibDescriptorInfo.class +0 -0
  16. data/java/JoelibDescriptorInfo.java +15 -0
  17. data/java/JoelibDescriptors.class +0 -0
  18. data/java/JoelibDescriptors.java +60 -0
  19. data/java/Rakefile +15 -0
  20. data/java/cdk-1.4.19.jar +0 -0
  21. data/java/joelib2.jar +0 -0
  22. data/java/log4j.jar +0 -0
  23. data/lazar.gemspec +28 -0
  24. data/lib/SMARTS_InteLigand.txt +983 -0
  25. data/mongoid.yml +8 -0
  26. data/test/data/CPDBAS_v5c_1547_29Apr2008part.sdf +13553 -0
  27. data/test/data/CPDBAS_v5d_cleaned/CPDBAS_v5d_20Nov2008_mouse_TD50.csv +436 -0
  28. data/test/data/CPDBAS_v5d_cleaned/CPDBAS_v5d_20Nov2008_rat_TD50.csv +568 -0
  29. data/test/data/CPDBAS_v5d_cleaned/DSSTox_Carcinogenic_Potency_DBS_Hamster.csv +87 -0
  30. data/test/data/CPDBAS_v5d_cleaned/DSSTox_Carcinogenic_Potency_DBS_Mouse.csv +978 -0
  31. data/test/data/CPDBAS_v5d_cleaned/DSSTox_Carcinogenic_Potency_DBS_MultiCellCall.csv +1120 -0
  32. data/test/data/CPDBAS_v5d_cleaned/DSSTox_Carcinogenic_Potency_DBS_MultiCellCall_no_duplicates.csv +1113 -0
  33. data/test/data/CPDBAS_v5d_cleaned/DSSTox_Carcinogenic_Potency_DBS_Mutagenicity.csv +850 -0
  34. data/test/data/CPDBAS_v5d_cleaned/DSSTox_Carcinogenic_Potency_DBS_Mutagenicity_no_duplicates.csv +829 -0
  35. data/test/data/CPDBAS_v5d_cleaned/DSSTox_Carcinogenic_Potency_DBS_Rat.csv +1198 -0
  36. data/test/data/CPDBAS_v5d_cleaned/DSSTox_Carcinogenic_Potency_DBS_SingleCellCall.csv +1505 -0
  37. data/test/data/EPAFHM.csv +618 -0
  38. data/test/data/EPAFHM.medi.csv +100 -0
  39. data/test/data/EPAFHM.mini.csv +22 -0
  40. data/test/data/EPA_v4b_Fathead_Minnow_Acute_Toxicity_LC50_mmol.csv +581 -0
  41. data/test/data/FDA_v3b_Maximum_Recommended_Daily_Dose_mmol.csv +1217 -0
  42. data/test/data/ISSCAN-multi.csv +59 -0
  43. data/test/data/LOAEL_log_mg_corrected_smiles.csv +568 -0
  44. data/test/data/LOAEL_log_mmol_corrected_smiles.csv +568 -0
  45. data/test/data/acetaldehyde.sdf +14 -0
  46. data/test/data/boiling_points.ext.sdf +11460 -0
  47. data/test/data/cpdb_100.csv +101 -0
  48. data/test/data/hamster_carcinogenicity.csv +86 -0
  49. data/test/data/hamster_carcinogenicity.mini.bool_float.csv +11 -0
  50. data/test/data/hamster_carcinogenicity.mini.bool_int.csv +11 -0
  51. data/test/data/hamster_carcinogenicity.mini.bool_string.csv +11 -0
  52. data/test/data/hamster_carcinogenicity.mini.csv +11 -0
  53. data/test/data/hamster_carcinogenicity.ntriples +618 -0
  54. data/test/data/hamster_carcinogenicity.sdf +2805 -0
  55. data/test/data/hamster_carcinogenicity.xls +0 -0
  56. data/test/data/hamster_carcinogenicity.yaml +352 -0
  57. data/test/data/hamster_carcinogenicity_with_errors.csv +88 -0
  58. data/test/data/kazius.csv +4070 -0
  59. data/test/data/multi_cell_call.csv +1067 -0
  60. data/test/data/multi_cell_call_no_dup.csv +1057 -0
  61. data/test/data/multicolumn.csv +8 -0
  62. data/test/data/rat_feature_dataset.csv +1179 -0
  63. data/test/data/wrong_dataset.csv +8 -0
  64. metadata +108 -8
@@ -0,0 +1,1505 @@
1
+ STRUCTURE_SMILES,ActivityOutcome_CPDBAS_SingleCellCall
2
+ FCC(F)(F)F,active
3
+ C1(CCN(C1)N=O)O,active
4
+ ClCCOCCCl,active
5
+ N1/C(=N\C2=C(C1=S)N=CN2[C@]3(C([C@@]([C@](O3)(CO)[H])(O)[H])([H])[H])[H])N,active
6
+ N1=C(N=C(N(CO)CO)N=C1N(CO)CO)N(CO)CO,active
7
+ CCC(C)=NO,active
8
+ OC1=CC=C2C(=C1/N=N/C3=CC=CC=C3)C=CC=C2,active
9
+ N1=CC=CC=C1,active
10
+ C(/C1=CC=C(C=C1)N(CC2=CC(=CC=C2)S(=O)(=O)[O-])CC)(=C3\C=C/C(C=C3)=[N+](\CC4=CC(=CC=C4)S(=O)(=O)[O-])CC)C5=CC=CC=C5.[Na+],active
11
+ N=C(N(CC)N=O)N[N+]([O-])=O,active
12
+ N=C(N(N=O)C)N[N+](=O)[O-],active
13
+ BrC(CCl)CBr,active
14
+ N=C(C2=CC=C(N(C)C)C=C2)C1=CC=C(N(C)C)C=C1.[H]Cl,active
15
+ N1(=C2C(=CC(=C1)C3=CC=CC=C3)N(C(=N2)N)C).[H]Cl,active
16
+ N1(CC(N(C(C1)C)C(C2C=CC=CC=2)=O)C)N=O,active
17
+ C1(=CC=C(N)C=C1)C.[H]Cl,active
18
+ N=C(N)NCCC[C@H](NC([C@@H](NC([C@@H](NC(C)=O)CC(C)C)=O)CC(C)C)=O)C=O,active
19
+ NC(=O)NC1=CC=C(C=C1)C,active
20
+ NC(=O)NNC1=CC=CC=C1,active
21
+ NC(=O)N(CC)N=O,active
22
+ NC(=O)N(CC=C)N=O,active
23
+ O=C(N(CC(C)O)N=O)NCCCl,active
24
+ CC(C)(O)CC[C@@H](O)[C@@H](C)[C@H]2CC[C@@]1(O)C/3=C/C(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]\3CC[C@@]12C,active
25
+ NC(=O)OC,active
26
+ NC(=O)OCC,active
27
+ N1C2=C(C3=C1C=CC=C3)C(=NC(=C2)N)C.CC(=O)O,active
28
+ N1C2=C(C3=C1C=CC=C3)C(=NC(=C2C)N)C.CC(=O)O,active
29
+ N1C=CC=C(C=1)C2N(N=O)CCC2,active
30
+ N1C=NN(C=1)CC(CN2N=CN=C2)(C3=C(C=C(C=C3)F)F)O,active
31
+ NC(=O)Cc2c([O-])on[n+]2Cc1ccccc1,active
32
+ NC(=O)CCCCC,active
33
+ NC(=O)C=C,active
34
+ OC(=O)C(Cl)Cl,active
35
+ N(CC(CO)O)(C)N=O,active
36
+ N(CC(CO)O)(CC(C)=O)N=O,active
37
+ CN(C1=CC=C(C=C1)/N=N/C2=CC(=CC=C2)C)C,active
38
+ N(CC(C)O)(CCO)N=O,active
39
+ C1CC=C2[C@](C1)([C@@]3([C@@](CC2)([C@]4([C@](CC3)([C@](CC4)(C#C)O)C)[H])[H])[H])[H],active
40
+ CCC(CCCC)CO,active
41
+ N(CC(CO)O)(CC=C)N=O,active
42
+ N(CC(CO)O)(CCO)N=O,active
43
+ N(C(=O)N)(N=O)CC(C)=O,active
44
+ N(C(=O)NCC(C)O)(N=O)C(C)Cl,active
45
+ NC1=C(C=CC(=C1)N)C,active
46
+ N(C(=O)N)(N=O)CC(=O)O,active
47
+ N(C1=CC=CC=C1)NC2=CC=CC=C2,active
48
+ N(CC(=O)[O-])(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].O,active
49
+ O=NN(CC=C1)CC1,active
50
+ N(C)[N+].S(=O)(=O)([O-])O,active
51
+ N(NC(C)=O)C1=CC=C(C=C1)CO,active
52
+ N(CCCCO)(CCCC)N=O,active
53
+ ClC1=CC=CC(C2=CC(Cl)=CC=C2)=C1,active
54
+ N(NC(C)=O)C(C1=CC=NC=C1)=O,active
55
+ N/1C(N(\C=C\1)C)=S,active
56
+ N#[N+]C1=CC=CC=C1.O=S([O-])(O)=O,active
57
+ N(NCC=C)CC=C.[H]Cl.[H]Cl,active
58
+ CC1=CC=CC=C1,active
59
+ N(NC(CC[C@H](N)C(=O)O)=O)C1C=CC(=CC=1)C(=O)O,active
60
+ N(CCN(C)C)(C)N=O,active
61
+ N(CCCCCCCCCC)(C)N=O,active
62
+ N(CCCCCCCCCCCCCC)(C)N=O,active
63
+ N(N)(CC=C)CC=C,active
64
+ N(N)(CCCC)C=O,active
65
+ CC=CCl,active
66
+ N(N)(CC)C=O,active
67
+ NC1=NC(/C=C/C2=CC=C([N+]([O-])=O)O2)=NO1,active
68
+ NC1=NN=C(C2=CC=C([N+]([O-])=O)O2)S1,active
69
+ NC1C=CC2=C(N=1)NC3=CC=CC=C23,active
70
+ NC1=NC(C2=CC=C([N+]([O-])=O)O2)=CS1,active
71
+ NC1=NC(C3=C(N=CC=C3)C=C2)=C2N1C,active
72
+ NC2=CC=C(C=C2N)C1=CC=C(N)C(N)=C1.Cl.Cl.Cl.Cl,active
73
+ O=C(N(CCO)N=O)N,active
74
+ N/C1=N/C(=O)N(/C=N1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O,active
75
+ NC2=C(O)C=C(C=C2)C(C=C1O)=CC=C1N.Cl.Cl,active
76
+ NC1=CC=CC2=C1C=CC=C2,active
77
+ NC1=CC2=C(C=CC=C2)C=C1,active
78
+ NC1=CC=CC(C)=C1.[H]Cl,active
79
+ NC1=CC=CC=C1[H]Cl,active
80
+ CC(C(O)=O)(OC1=CC=C(C=C1)C2CCCC3=C2C=CC=C3)C,active
81
+ NC1=NC(C2=CC=C([N+]([O-])=O)C=C2)=CS1,active
82
+ NC1=NC(=NC(=N1)C2=CC=C(O2)[N+]([O-])=O)N,active
83
+ NC1=NC(=NC(=N1)N)N,active
84
+ N#CN(C)N=O,active
85
+ O.O.O.O.[Co+2].O.O.O.[O-]S([O-])(=O)=O,active
86
+ NNCCC.[H]Cl,active
87
+ NS(C1=C(Cl)C=C(NCC2=CC=CO2)C(C(O)=O)=C1)(=O)=O,active
88
+ O(C1=CC=CC=C1)CC2CO2,active
89
+ O(CC1(C)C)C1=O,active
90
+ C(CC(=O)O)C(=O)O.C(OCCN(C)C)(C)(C1=CC=CC=C1)C2=CC=CC=N2,active
91
+ OC1=CC=C(C=C1)O,active
92
+ NC1=C5C(C=C(S(=O)([O-])=O)C(/N=N/C6=CC=CC=C6)=C5O)=CC(S(=O)([O-])=O)=C1/N=N/C2=CC=C(C3=CC=C(/N=N/C4=C(N)C=C(N)C=C4)C=C3)C=C2.[Na+].[Na+],active
93
+ C=O,active
94
+ NC3=CC1=C(C=C3)OC2=C1C=CC=C2,active
95
+ NCC(O)=O,active
96
+ NNC1=NC(=CS1)C2=CC=C(O2)[N+]([O-])=O,active
97
+ NC1=CC=C(C=C1OC)/N=N/C2=CC=CC=C2,active
98
+ NN(CCCC)CCCC,active
99
+ NNC1=CC=CC=C1.[H]Cl,active
100
+ ClC1=CC=C2C(=C1)C(=NC(O)C(=O)N2)C3=CC=CC=C3,active
101
+ NC1=C(C=CC(=C1)Cl)N,active
102
+ NC1=C(C=C(C=C1)N)[N+](=O)[O-],active
103
+ O=C(O[C@@H]1CC[N+]2([O-])[C@@]([H])1C3=CC2)\C(C[C@@H](C)[C@](O)(CO)C(OC3)=O)=C([H])/C,active
104
+ NC1=C(C=CC(=C1)NC(=O)C)OCC,active
105
+ ClC1/C=C\C2C1C3(Cl)C(/Cl)=C(/Cl)C2(Cl)C3(Cl)Cl,active
106
+ O=C1C2=C(C(=CC=C2C(=O)C3=C1C=CC=C3)C)[N+](=O)[O-],active
107
+ NC1=C(C=CC(=C1)N)Cl,active
108
+ O=C(N(C)C)Cl,active
109
+ NC(NC1=CC=C(C=C1)OCC)=O,active
110
+ [C@]24([C@@](C(COC(=O)CCCc1ccc(cc1)N(CCCl)CCCl)=O)(CC[C@H]2[C@@H]3CCC=5[C@@]([C@H]3[C@H](C4)O)(\C=C/C(C=5)=O)C)O)C,active
111
+ NC(CCSCC)C(=O)O,active
112
+ OC1=C(C=CC(=C1)C)O,active
113
+ O=[C@@]([C@@H]1C=C([C@]4([H])N(C)C1)C3=C2C(C4)=C(NC2=CC=C3)Br)N[C@@]5([C@H](C)C)C(N([C@@H](CC(C)C)C(N7CCC[C@@]67[H])=O)[C@@]6(O)O5)=O.O=S(O)(C)=O,active
114
+ NC1(=C(C=CC(=C1)N)C).[H]Cl.[H]Cl,active
115
+ NC1(=CC=C(C=C1)C2=CC=CC=C2).[H]Cl,active
116
+ NC1=CC=C(C=C1)C2=CC=C(C=C2)F,active
117
+ O=NN1CCCCCCC1,active
118
+ C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)C\C=C/C2,active
119
+ NC1=CC=C(C=C1)C2=CC=CC=C2,active
120
+ NC1=CC=C(OC2=CC=C(N)C=C2)C=C1N,active
121
+ NC1=CC=C2C3=C(C=CC=C3)OC2=C1,active
122
+ CN(CCCCCCCCCCC)N=O,active
123
+ NC1=CC=C(C2=CC=C(N)C(OC)=C2)C=C1OC.Cl.Cl,active
124
+ NC1=C2C(=NC(=N1)N)N=C(C(=N2)C3=CC=CC=C3)N,active
125
+ NC1=CC(=CC=C1C)Cl,active
126
+ C(=C/C=O)\[O-].[Na+],active
127
+ [N+](=N/CCC)(/CCC)[O-],active
128
+ NC1=CC=C(/C=C/C2=CC(OC)=CC=C2OC)C=C1,active
129
+ NC1=CC=C(/N=N/C2=CC=CC=C2)C(N)=N1.Cl,active
130
+ NC1=CC(=CC=C1OC)C,active
131
+ C=CCN(CC=C)N=O,active
132
+ CCBr,active
133
+ CN(CC(C)=O)N=O,active
134
+ ClC/C=C/CCl,active
135
+ ClC(Cl)Br,active
136
+ ClC(Cl)C(F)(F)F,active
137
+ ClC1(=C(C=CC(=C1)CC2=CC(=C(C=C2)N)Cl)N).[H]Cl.[H]Cl,active
138
+ ClC1(C(C2=CC=C(C=C2)OC(C(=O)O)(C)C)C1)Cl,active
139
+ ClC/C=C/CCl,active
140
+ OC([C@H](CC1=CC=C(N(CCCl)CCCl)C=C1)N)=O,active
141
+ ClC(C(Cl)Cl)(Cl)Cl,active
142
+ ClC(C(Cl)Cl)Cl,active
143
+ OO,active
144
+ ClC(C(Cl)(Cl)Cl)(Cl)Cl,active
145
+ ClC(CCl)(Cl)Cl,active
146
+ ClC(Cl)(Cl)Cl,active
147
+ ClC(C1=CC=CC=C1)(Cl)Cl,active
148
+ O=NN(C)CCOS(C1=CC=C(C)C=C1)(=O)=O,active
149
+ O=C(N(CCCCC)N=O)N,active
150
+ ClC1=CC(=NC(=N1)SCC(=O)O)NC2=CC=CC(=C2C)C,active
151
+ ClC1=C(Cl)C(Cl)=CC2=C1OC3=C(C=C(Cl)C(Cl)=C3Cl)O2,active
152
+ O=C(CC(CCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCCC,active
153
+ ClC1=CC=C(C=C1)Cl,active
154
+ O=[N+](C1=CC=CC2=CC=CN=C12)[O-],active
155
+ ClC1=CC(C2=CC(Cl)=C(N)C=C2)=CC=C1N.Cl.Cl,active
156
+ ClC1=CC(Cl)=C(/C(OP(=O)(OC)OC)=C/Cl)C=C1Cl,active
157
+ NC1=C(C=C(C=C1Cl)N)Cl,active
158
+ ClC1=C(C(=C(C(=C1OC)Cl)Cl)Cl)Cl,active
159
+ ClC1=C(C(=C(C(=C1C#N)Cl)Cl)Cl)C#N,active
160
+ ClC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)[N+](=O)[O-],active
161
+ ClC1=C(C=CC(=C1)Cl)OC2=CC=C(C=C2)[N+](=O)[O-],active
162
+ O=C1C(C(OCC5)=O)=C5C(C(OC)=C4)=C(C2=C4OC3C2C=CO3)O1,active
163
+ NC(=O)C1=C(C=CC=C1)OCC,active
164
+ ClC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)Cl)N,active
165
+ C1(C(N\C(=N/C1=O)[O-])=O)(CC)CC.[Na+],active
166
+ CCOC(=O)N(C)N=O,active
167
+ CCN1(C2C(=CC=CC=2)C3=C1C=CC(=C3)N).[H]Cl,active
168
+ CCNN.[H]Cl,active
169
+ O=C(OC[C@@H](C(=O)O)N)C=[N+]=[N-],active
170
+ Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl,active
171
+ CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(NC(C)=O)C=C2,active
172
+ Cl.Cl.Cl.Cc1ccc(cn1)C\C2=C\N/C(=N\C2=O)NCCSCc3ccc(CN(C)C)o3,active
173
+ N(C1C=CC(=CC=1)N=O)C2=CC=CC=C2,active
174
+ CCCCOCCO,active
175
+ CCCCC/C=N/N(C=O)C,active
176
+ CCCCCC,active
177
+ ClCCN(C)CCCl,active
178
+ CCN1(C2C(=CC=CC=2)C3=C1C=CC(=C3)N),active
179
+ CCCCOP(=O)(OCCCC)OCCCC,active
180
+ CCCl,active
181
+ ClC(=CCl)Cl,active
182
+ ClC(C(=O)O)(Cl)Cl,active
183
+ OC(=O)C(C)(C)CCCOc1ccc(OCCCC(C)(C)C(O)=O)c(c1)c2ccccc2,active
184
+ ClC(=C(Cl)Cl)Cl,active
185
+ OCC1CO1,active
186
+ ClC(C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl)Cl,active
187
+ ClC(C(C)=C2)=CC(S(=O)([O-])=O)=C2/N=N/C1=C3C(C=CC=C3)=CC=C1O.ClC(C(C)=C5)=CC(S(=O)([O-])=O)=C5/N=N/C4=C6C(C=CC=C6)=CC=C4O.[Ba+2],active
188
+ C=CCC1=CC=C2C(=C1)OCO2,active
189
+ O=C1C2=CC(=CC=C2C(=O)C3=C1C=CC=C3)N,active
190
+ CC(N(C1=CC=CC2=C1CC3=C2C=CC=C3)C(C)=O)=O,active
191
+ Cl[C@@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl,active
192
+ NC(N3C)=NC2=C3C(C)=CC1=NC=CC=C12,active
193
+ Cl\C2=C(/Cl)C3(Cl)C1C4CC(C1C2(Cl)C3(Cl)Cl)C5OC45,active
194
+ ClC(=C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl)Cl,active
195
+ Cl\C=C\CCl,active
196
+ Cl\C=C\CCl,active
197
+ ClC1=CC=CC=C1,active
198
+ CC(C)(C)NCC(O)C1=CC(O)=CC(=C1)O,active
199
+ CN1CC[C@H]2OC(=O)C3(C[C@@H](C)[C@@](C)(O)C(=O)OC\C(=C\C1)C2=O)O[C@@H]3C,active
200
+ NNC1=NC(C2=CC=C([N+]([O-])=O)C=C2)=CS1,active
201
+ N(NC)C.[H]Cl.[H]Cl,active
202
+ CN[N+](=O)[O-],active
203
+ CN1C2=C(C(OC)=CC3=C2C=CC(O3)(C)C)C(C4=C1C=CC=C4)=O,active
204
+ CN(N=O)C(=O)NCCC[C@H](N)C(O)=O,active
205
+ CN(N=O)C1=C(C(NC)=O)N(C)C=N1,active
206
+ N(CC(C)=O)(CC=C)N=O,active
207
+ CN(C1=CC=C(C=C1)/N=N/C2=CC=CC=C2)C,active
208
+ CN(C)N,active
209
+ CN(C)P(=O)(N(C)C)N(C)C,active
210
+ C1(=CC=CC=C1)CCNN.S(O)(O)(=O)=O,active
211
+ CN(CC)N=O,active
212
+ CN(C1=CC=CC=C1)C,active
213
+ CN(C1=CC=CC=C1)N=O,active
214
+ COC1C=C(C=CC=1C2NC3=CN=CC=C3N=2)S(C)=O,active
215
+ COC2=CC=C(C=C2)CN(CCN(C)C)C1=NC=CC=C1.OC(\C=C/C(O)=O)=O,active
216
+ COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2,active
217
+ COC1=CC=C(C=C1)O,active
218
+ CC(C)(C)O,active
219
+ F[C@@]([C@](C=C4)(C)C3=CC4=O)2[C@@H](O)C[C@]([C@](C5)([H])[C@@]([H])2CC3)(C)[C@@]1([C@](CO)=O)[C@@H]5OC(C)(C)O1,active
220
+ CP(=O)(OC)OC,active
221
+ CS(=O)(=O)OC,active
222
+ CN1N(C2=CC=CC=C2)C(=O)C=C1C,active
223
+ Cn3nc(CO)nc3NCCCOc2cc(CN1CCCCC1)ccc2,active
224
+ CN1C2=C(C3=NC(=CN=C3C=C2)C)N=C1N,active
225
+ CN(N=O)C,active
226
+ COC1=C(C=CC=C1)[N+](=O)[O-],active
227
+ COC1=C(O)C=CC(=C1)C=NNC(=O)C2=CC=NC=C2,active
228
+ CNNCC1(=CC=C(C=C1)C(=O)NC(C)C).[H]Cl,active
229
+ CC1=C(C2=C(C=CC(=C2)OC)N1C(=O)C3=CC=C(C=C3)Cl)CC(=O)O,active
230
+ ClC2(Cl)C1(Cl)C(=C)C(CCl)(CCl)C2(Cl)C(Cl)C1Cl,active
231
+ ClC2=C(C=CC(Cl)=C2Cl)C1=C(Cl)C(Cl)=C(Cl)C=C1,active
232
+ Clc1nc(NCC)nc(NC(C)(C)C#N)n1,active
233
+ ClC2(Cl)C1(Cl)C(\Cl)=C(\Cl)C2(Cl)C(C1C(O)=O)C(O)=O,active
234
+ ClC54C(=O)C1(Cl)C2(Cl)C5(Cl)C3(Cl)C4(Cl)C1(Cl)C2(Cl)C3(Cl)Cl,active
235
+ NC(=O)OC=C,active
236
+ ClC2=C(C=CC=C2Cl)C1=C(Cl)C=C(Cl)C=C1,active
237
+ C1(=CC(=NC(=N1)C2=CC=C(O2)[N+]([O-])=O)C)C,active
238
+ ClC1=NC(=NC(=N1)NC(C)C)NCC,active
239
+ [O-]C(C)=O.[O-]C(C)=O.[Pb+2].[OH-].[OH-].[Pb+2].[OH-].[OH-].[Pb+2],active
240
+ F/C(F)=C(\F)F,active
241
+ ClC1=CC2=C(C=C1Cl)OC3=C(C=C(C(=C3)Cl)Cl)O2,active
242
+ ClC1C(C(C(Cl)C(C1Cl)Cl)Cl)Cl,active
243
+ Clc1ccc(cc1)c2ccc(COC(C)(C)C(O)=O)cc2,active
244
+ ClC1=NC(SCC(NCCO)=O)=NC(NC2=CC=CC(C)=C2C)=C1,active
245
+ ClC13C5(Cl)C2(Cl)C4C(Cl)(C(Cl)(Cl)C12Cl)C3(Cl)C4(Cl)C5(Cl)Cl,active
246
+ ClCCN[P]1(=O)OCCCN1CCCl,active
247
+ ClCOC,active
248
+ ClCCN(CCCl)[P]1(=O)NCCCO1,active
249
+ ClCCN(CCCl)C1=CC=C(CC(OC3=CC=C(C4=C3)[C@]2([H])[C@](CC4)([H])[C@@](CC[C@@H]5OC(CC6=CC=C(N(CCCl)CCCl)C=C6)=O)([H])[C@]5(C)CC2)=O)C=C1,active
250
+ CN(C)CCN(CC2=CC=CS2)C1=NC=CC=C1.Cl,active
251
+ O=NN(CCC)CCC,active
252
+ ClCOCCl,active
253
+ CN(C)/N=N/C1=CC=CC=C1,active
254
+ O=C(O[C@H](C)C2)C1=C2C(Cl)=CC(C(N[C@@H](CC3=CC=CC=C3)[C@@](O)=O)=O)=C1O,active
255
+ O=[N+](C1=CC(=C(C=C1)OC)N)[O-],active
256
+ C=C(Cl)Cl,active
257
+ ClCC1=CC=CC=C1,active
258
+ O=N(=O)c1ccc(C)cc1,active
259
+ CN(C)CNc2nnc(/C=C/c1ccc(o1)[N+]([O-])=O)o2,active
260
+ ClCCl,active
261
+ [O-]\[N+](CC)=N/C,active
262
+ C1(NC(CN1N=O)=O)=O,active
263
+ O=S(=O)([O-])[O-].[Cd+2],active
264
+ NC1=CC=C(C2=CC=C(N)C=C2)C=C1,active
265
+ O=C(C(C)=C4N)C2=C(C4=O)[C@](COC(N)=O)([H])[C@@](N2C3)(OC)[C@@]1([H])N[C@@]31[H],active
266
+ O=S(\N=C(NCCSCC2=CC=C(CNC)O2)/NCC(C1=CC=C(O)C=C1)O)(C)=O,active
267
+ O=S(=O)(C1=CC=C(C=C1)C(=O)O)N(CCC)CCC,active
268
+ O=S(=O)(C1=CC=C(C=C1)N)C2=CC=C(C=C2)N,active
269
+ [N+](=N\C(C)C)(/C(C)C)[O-],active
270
+ O=S(=O)(C1=CC=C(C=C1)/C(=C2\C=C/C(=[N+](/CC3=CC(=CC=C3)S(=O)(=O)[O-])CC)C=C2)C4=CC=C(C=C4)N(CC5=CC(=CC=C5)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+],active
271
+ O=P(N1C(C1)C)(N1C(C1)C)N1C(C1)C,active
272
+ O=C(OC1=C2C(=CC=C1)C=CC=C2)NC,active
273
+ O=NN1CCSCC1,active
274
+ O=P(H)(OC)OC,active
275
+ O=P(OCC(CBr)Br)([O-])OCC(CBr)Br.O=P(OCC(CBr)Br)([O-])OCC(CBr)Br.[Mg+2],active
276
+ O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC,active
277
+ O=P(OC)(OC)OC,active
278
+ O=P(OC=C(Cl)Cl)(OC)OC,active
279
+ N[C@@H](CCSCC)C(=O)O,active
280
+ Cl.CC(=O)O[C@@H](CC)C(C[C@H](C)N(C)C)(c1ccccc1)c2ccccc2,active
281
+ [Cl-].C/[N+](C)=C1\C=C/C(C=C1)=C(\c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C,active
282
+ OC(=O)C1=CC=C(C=C1)[N+](=O)[O-],active
283
+ OC(=O)CCCCCCCCCCN,active
284
+ C1/C=C\CN(O1)N=O,active
285
+ CC(COC1=CC=C(C=C1)C(C)(C)C)OS(=O)OCCCl,active
286
+ O=C1OC2=C(C=CC=C2)CC1,active
287
+ O=S(N1C[C@@H](C)C[C@H](C1)C)(C2=CC(C(O)=O)=C(Cl)C=C2)=O,active
288
+ ClC(C(O)O)(Cl)Cl,active
289
+ O=S(=O)(C1=CC=C(C=C1)N)NC2=NC(=CC(=N2)C)C,active
290
+ O=S(C1=C3C(C=CC=C3)=C(O)C(/N=N/C2=CC(S(=O)([O-])=O)=C(C)C=C2C)=C1)([O-])=O.[Na+].[Na+],active
291
+ N(CCCC(F)(F)F)(CCCC(F)(F)F)N=O,active
292
+ ON=C1C=CC(=NO)C=C1,active
293
+ O=S1(=O)CCCO1,active
294
+ O1C(N(CC1C)N=O)=O,active
295
+ O=C(C[C@@H](C[C@@H](/C=C/C1=C(C2=C(N1C(C)C)C=CC=C2)C3=CC=C(C=C3)F)O)O)O,active
296
+ C1=CC=CC=C1C(O)C(N(C)N=O)C,active
297
+ CCN(CC)N=O,active
298
+ O=N[O-].[Na+],active
299
+ C=CF,active
300
+ O=NN(CC(=O)C)CC(=O)C,active
301
+ O=NN(C)C1=NC=NC2=C1N=CN2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O,active
302
+ O=NN(C)CCCCCCCCCCCC,active
303
+ [O-][N+](C(N=C3)=C(SC1=NC=NC2=C1NC=N2)N3C)=O,active
304
+ O=CC1=CC=CC=C1,active
305
+ FCCl,active
306
+ O=C3C[C@@H]4CC[C@@H]1[C@H](CC[C@]2(C)[C@@](C)(O)CC[C@@H]12)[C@@]4(C)C\C3=C\O,active
307
+ O=CNN,active
308
+ O=CNNC=O,active
309
+ O=[N+](C1=CC=C(O1)/C=N/NC(=O)N)[O-],active
310
+ C(CCCN(N=O)C)(O)C1C=NC=CC=1,active
311
+ O=NN1CCC(=O)NC1=O,active
312
+ O=NN1CCCC1,active
313
+ O=C(N(CCO)N=O)NCCCl,active
314
+ O=NN(CCO)CCO,active
315
+ O=NN1CCN(N=O)CC1,active
316
+ O=NN1CCOCC1,active
317
+ C1(N=C(SC=1)NN)C2=CC=C(C=C2)N,active
318
+ C1CO1,active
319
+ ClCCN(C1=CC=C(C=C1)CCCC(=O)O)CCCl,active
320
+ O=NN(CCCC)CCCC,active
321
+ OC2=NN=C(O2)C1=CC=C([N+]([O-])=O)O1,active
322
+ [O-][N+](=O)c1ccc2c3ccccc3Cc2c1,active
323
+ O=NN(CCN(C)C)C(=O)[NH2+]CC.[O-]N=O,active
324
+ O=NN(CCN1)CC1,active
325
+ NN,active
326
+ O=NN(CCCCCC1)CCCCCC1,active
327
+ OC(=O)CN(CC(=O)O)CC(=O)O,active
328
+ OCCOCCO,active
329
+ CC(=S)N,active
330
+ OCCNC2=C1C=CC=CC1=NC(C3=CC=C([N+]([O-])=O)S3)=N2,active
331
+ OCCNN,active
332
+ NC1=C(C=C2C3=C(C=CC=C3)OC2=C1)OC,active
333
+ S(CC)(=O)(=O)C1C2=C(C(=CC=1)S(N)(=O)=O)C=CC=C2,active
334
+ ClC(C(Cl)(Cl)C43Cl)(C(Cl)=C4Cl)C1C3C2C=CC1C2,active
335
+ P(=O)(OC)(OC)N1CCOCC1,active
336
+ OCC(CO)(CBr)CBr,active
337
+ OC1=CC=C(C=C1C(C)(C)C)OC,active
338
+ CC=O,active
339
+ OCC(=O)[C@@]54OC(O[C@@H]5C[C@@H]1[C@]4(C)C[C@H](O)[C@@H]2[C@@]3(C)/C=C\C(=O)\C=C3\CC[C@@H]12)CCC,active
340
+ OCCBr,active
341
+ OCCN(CCO)CCO,active
342
+ OC1=C(O)C=C4C(C[C@](COC2=C3C=CC(O)=C2O)([C@@]34[H])O)=C1,active
343
+ ClC#CCl,active
344
+ C1=CC=C(C=[N+]1[O-])C2CCCN2N=O,active
345
+ S=C1NCCN1,active
346
+ S=C(NCC)NCC,active
347
+ NN(C=O)CCC,active
348
+ S=P(SCN1C(=O)SC(=N1)OC)(OC)OC,active
349
+ SC1=NC2=C(C=CC=C2)S1,active
350
+ O=C(N(CCCCC)N=O)OCC,active
351
+ CC(=NO)C,active
352
+ S=C(N(C)C)NC,active
353
+ [K+].C1(=CC=C2C(=N1)N(C=C(C2=O)C([O-])=O)C)/C=C/C3=CC=C(O3)[N+]([O-])=O,active
354
+ S=C([S-])NCCNC([S-])=S.[Zn+2],active
355
+ C1(NNC(C)=O)=CC=CC=C1,active
356
+ S=C(N1CCOCC1)SN1CCOCC1,active
357
+ NCC1(CC(=O)O)CCCCC1,active
358
+ S=C(N(CC)CC)SCC(=C)Cl,active
359
+ C1=COC=C1,active
360
+ [O-][N+](C3=CC=C(O3)C1=CN=C2N1C=CC=C2)=O,active
361
+ OC1=C(C=C(C=C1)Cl)CC2=CC=CC=C2,active
362
+ OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl,active
363
+ OC1=C(C=C(C=C1)C)/N=N/C2=CC=C(C=C2)NC(=O)C,active
364
+ OC1=C(C=C(C=C1Cl)Cl)Cl,active
365
+ OC1=C(C=CC(=C1)/C=C/C(=O)O)O,active
366
+ C[C@@H](CC)C(=O)O[C@H]2C[C@@H](C)\C=C3\C=C/[C@H](C)[C@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@@H]23,active
367
+ OC1=C(C=C(C=C1C(C)(C)C)C)C(C)(C)C,active
368
+ OC(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl,active
369
+ CC(=O)NN,active
370
+ OC(C1=CC=C(C(=C1)CO)O)CNC(C)(C)C,active
371
+ OC(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)C(=O)OCC,active
372
+ CC(NC(=O)C1=CC(=CC(=C1)Cl)Cl)(C#C)C,active
373
+ OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl,active
374
+ OC(COC(C)(C)C)C,active
375
+ C1COCCO1,active
376
+ OC2=C(C)C1=C(C(C)=C2)OC(CCCC(C)CCCC(C)CCCC(C)C)(C)CC1,active
377
+ ClCCCl,active
378
+ OC1=CC2=C(C=C1)OCO2,active
379
+ N1(C(=CN=C1C)[N+](=O)[O-])CCO,active
380
+ O=NN(CC(C)O)CC(C)O,active
381
+ O=C1C=C(NC(=S)N1)CCC,active
382
+ O=C(N(C)N=O)C1=C(N(N=O)C)N=CN1C,active
383
+ ClC1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)Cl)N,active
384
+ OC1=C(C=CC=C1OC)O,active
385
+ [H][C@]12N(CC=C2COC([C@@](O)(C(O)(C)C)[C@H](C)OC)=O)CC[C@@H]1OC(\C(C)=C/C)=O,active
386
+ ClC1=C(C=C(C=C1C(=O)O)Cl)N,active
387
+ OC1=C(C=CC=C1)O,active
388
+ CC1=CC(=C(C=C1C)N)C,active
389
+ OC1=CC=C2C(=C1/N=N/C3=C(C=C(C=C3)C)[N+](=O)[O-])C=CC=C2,active
390
+ OC1=CC(=CC2=C1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O,active
391
+ O(C)c1cc(CC=C)ccc1OC,active
392
+ N=C(N)NC1=NC(CSCCNC2=NSN=C2N)=CS1,active
393
+ O=C(N(CC(C)C)N=O)N,active
394
+ O=C(C1=CC=CC=C1)NN,active
395
+ C1(C2=C(C=CC=C2)N)(=CC=CC=C1).[H]Cl,active
396
+ O=C(C1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)N(C)C,active
397
+ O=C(C1=CC=NC=C1)NN,active
398
+ O=C=NC1=CC(N=C=O)=CC=C1C,active
399
+ OS(=O)(=O)O.NN,active
400
+ O=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)N1,active
401
+ O=C1[C@H]3[C@H](C3)[C@@]([C@]4([H])[C@@]([C@@]5([H])[C@]([C@@](CC5)(OC(C)=O)[C@@](C)=O)(C)CC4)([H])C=C2Cl)(C)C2=C1,active
402
+ O=C(C)OC(C2=CC1=C(C=C2)OCO1)C=C,active
403
+ O=C(C)NC3=CC=C(C2=C3)C1=C(C2=O)C=CC=C1,active
404
+ O=C(C)NCC1=NC(=NO1)C2=CC=C(O2)[N+]([O-])=O,active
405
+ O=C(C1=C(C=CC=C1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC,active
406
+ C12(C(=CC(=C(C=1/N=N/C3=C4C(=C(C=C3)S(=O)(=O)[O-])C=CC=C4)O)S(=O)(=O)[O-])C=C(C=C2)S(=O)(=O)[O-]).[Na+].[Na+].[Na+],active
407
+ O=C(C[C@@H]([C@@](O)=O)CC(O)=O)O[C@H]([C@@H](C)CCCC)[C@@H](C[C@H](C)C[C@@H](O)CCCC[C@@H](O)C[C@H](O)[C@@H](N)C)OC(C[C@@H]([C@@](O)=O)CC(O)=O)=O,active
408
+ O=NN(C(=O)N)CCC,active
409
+ OC2=CC=C(C=C2)/C(CC)=C(CC)/C1=CC=C(O)C=C1,active
410
+ O=C(N(C)N=O)NC1=NC2=C(S1)C=CC=C2,active
411
+ C1CCCN(O1)N=O,active
412
+ CC/C(C2=CC=CC=C2)=C(C1=CC=CC=C1)/C(C=C3)=CC=C3OCCN(C)C.OC(C(CC(O)=O)(O)CC(O)=O)=O,active
413
+ O=C(N(CC)N=O)NCC(=O)C,active
414
+ O=C(N(CC)N=O)NCCO,active
415
+ O=C(N(CC(C)=O)N=O)NCCCl,active
416
+ NC(=S)C1=CC(=NC=C1)CC,active
417
+ O=C(C4=CC(OC)=C(OC)C(OC)=C4)O[C@@H]1C[C@@]3([H])[C@@](C[C@](N5C3)([H])C2=C(CC5)C(C=C6)=C(C=C6OC)N2)([H])[C@H]([C@](OC)=O)[C@H]1OC,active
418
+ O=C(N)\C(C2=CC=CO2)=C/C1=CC=C([N+]([O-])=O)O1,active
419
+ O=C(C3=CC=C6C2=C34)C1=CC=CC=C1C4=CC=C2C(C5=CC=CC=C56)=O,active
420
+ ClC(CCl)Cl,active
421
+ O=C(CCCN(C)N=O)O,active
422
+ O=C(CN=C2C3=CC=CC=C3)NC1=C2N(N=C1C)CC,active
423
+ NC(=S)N,active
424
+ C1CCC[C@@H](N1N=O)C,active
425
+ O\N=C1\CCCC1,active
426
+ O=[Cr](=O)(O[Cr](=O)(=O)[O-])[O-].[Na+].[Na+],active
427
+ O=NN(CCCCC)CCCCC,active
428
+ O=C1C2=C(C=CC=C2O)C(=O)C3=CC=CC(=C13)O,active
429
+ O=[N+]([O-])C1=CC=C(O1)/C=N/N2C(N(CCO)CC2)=O,active
430
+ O=[N+]([O-])C3=CC=C(O3)/C=N/N1C(O[C@@H](CN2CCOCC2)C1)=O.Cl,active
431
+ O=[Mo](=O)=O,active
432
+ O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl,active
433
+ O[C@@H]([C@@H](O)[C@H](O)CBr)[C@@H](O)CBr,active
434
+ CC(CC1=CC2=C(C=C1)OCO2)S(=O)CCCCCCCC,active
435
+ O[C@]1(C(C)2C)[C@]2([H])[C@@](C=C(CO)C4)([H])[C@]([C@@](C=C3C)([H])[C@@]4(O)C3=O)(O)[C@H](C)[C@H]1O,active
436
+ O=NN(C1=CC=CC=C1)C2=CC=CC=C2,active
437
+ O[C@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)[C@@H]1OC/N=[N+](C)\[O-],active
438
+ O[C@H]([C@H](O)CBr)[C@H](O)[C@H](O)CBr,active
439
+ O[C@@H]3C\C4=C\C[C@@H]2[C@H](CC[C@]1(C)C(=O)CC[C@H]12)[C@@]4(C)CC3,active
440
+ C1(=C(C=CC=C1)N)N.[H]Cl.[H]Cl,active
441
+ O=P(OCCCl)(OCCCl)OCCCl,active
442
+ O=C4C=C2[C@@](CC4)([H])[C@]1([H])[C@](CC2)([H])[C@@](CC3)([H])[C@@](CC1)(C)[C@]3(OC(C)=O)C#C,active
443
+ O=[N+](C1=CN=C(S1)N)[O-],active
444
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445
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446
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447
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448
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449
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450
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451
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452
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453
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454
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455
+ C=CCN=C=S,active
456
+ O=[N+](C1=CC=CC=C1)[O-],active
457
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458
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459
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460
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461
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462
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463
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464
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465
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466
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467
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468
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469
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470
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471
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472
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473
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474
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475
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476
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477
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478
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479
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480
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481
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482
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483
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484
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485
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486
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487
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488
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489
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490
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491
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492
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493
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494
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495
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496
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497
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498
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499
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500
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501
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502
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503
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504
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505
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506
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507
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508
+ O=C1[N-]S(=O)(=O)C2=CC=CC=C12.[Na+],active
509
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510
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511
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512
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513
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514
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515
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516
+ O=[N+](C1=CC(=C(C=C1)O)N)[O-],active
517
+ ClCC1CO1,active
518
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519
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520
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521
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522
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523
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524
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525
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526
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527
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528
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529
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530
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531
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532
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533
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534
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535
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536
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537
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538
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539
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540
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541
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542
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543
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544
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545
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546
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547
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548
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549
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550
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551
+ CC1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-],active
552
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553
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554
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555
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556
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557
+ C=CCOCC1CO1,active
558
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559
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560
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561
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562
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563
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564
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565
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566
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567
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568
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569
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570
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571
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572
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573
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574
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575
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576
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577
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578
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579
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580
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581
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582
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583
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584
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585
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586
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587
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588
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589
+ CC(=O)N(O)C1=CC2=C(C=C1)C3=CC=CC=C3C2,active
590
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591
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592
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593
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594
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595
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596
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597
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598
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599
+ CC(=C)CCl,active
600
+ CC(=C)CCl,active
601
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602
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603
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604
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605
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606
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607
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608
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609
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610
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611
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612
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613
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614
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615
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616
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617
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618
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619
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620
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621
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622
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623
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624
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625
+ CCC(CC)[N+]([O-])=O,active
626
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627
+ C=CCNN.HCl,active
628
+ [O-][N+](C1=CC(C(OC)=CC=C4)=C4C2=C1C(C([O-])=O)=CC3=C2OCO3)=O.[Na+],active
629
+ O1C(=NN=C1C2OC(=CC=2)[N+](=O)[O-])N,active
630
+ [O-][N+](C=C2)=CC=C2/N=N/C1=CC=C(N(CC)CC)C=C1,active
631
+ [O-][N+](C1=CN=C(NC(NCC)=O)S1)=O,active
632
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633
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634
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635
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636
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637
+ [O-][N+](=O)C1=CC=C(O1)C2=CSC(=N2)NC=O,active
638
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639
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640
+ CNN,active
641
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642
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643
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644
+ [Se]=S,active
645
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646
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647
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648
+ O=C(N(CCC1=CC=CC=C1)N=O)N,active
649
+ [O-][N+](C2=CC=C(O2)C1=CSC=N1)=O,active
650
+ [O-][N+](C2=CC=C(O2)C1=CSC(NN(C)C)=N1)=O,active
651
+ [O-]\[N+](CC)=N/CC,active
652
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653
+ [O-]\[N+](C)=N/CC,active
654
+ [H][C@]12C3=CCN1CC[C@H]2OC(/C(CC([C@@](CO)(O)C(OC3)=O)=C)=C\C)=O,active
655
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656
+ [Cl-].[Cd+2].[Cl-],active
657
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658
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659
+ [H][C@]14[C@@]([C@]3([H])CC[C@@](O)(C#C)[C@](C)3CC4)([H])CCC2=CC(O)=CC=C12,active
660
+ O=C(/C=C(C(C1=CC=C(C=C1)OC)=O)/Br)[O-].[Na+],active
661
+ OC(=O)C1=C(C=CC(=C1)OC2=CC=C(C=C2Cl)C(F)(F)F)[N+](=O)[O-],active
662
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663
+ O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br,active
664
+ [C@@H]1(NC(N(N=O)C)=O)[C@H]([C@H](O)[C@H](O[C@@H]1O)CO)O,active
665
+ C\C1=C\N(C(=O)NC1=O)[C@H]2C[C@H](/N=[N+]=[N-])[C@@H](CO)O2,active
666
+ [C@]13([C@@](C(=O)CO)(CC[C@H]1[C@@H]2CCC=4[C@@]([C@H]2[C@H](C3)O)(\C=C/C(C=4)=O)C)O)C,active
667
+ [Na+].C1(=C(C=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-])NC3=CC=CC=C3,active
668
+ CC(=C)C=C,active
669
+ S=C([S-])N(C)C.[S-]C(N(C)C)=S.[Zn+2],active
670
+ [O-][N+](=O)C1=CC=C(O1)C=NN2CCNC2=O,active
671
+ O=[N+](C1=CC=C2C3=C1C=CC=C3CC2)[O-],active
672
+ [NH3+]C2=C(C)C=C(C3=N2)C1=C(N3)C=CC=C1.O=C([O-])C,active
673
+ O=C(C1=CC=CN=C1)NN,active
674
+ C1=CC(=CC=C1N(C)N=O)N=O,active
675
+ [Mn+2].[S-]C(=S)NCCNC(=S)[S-],active
676
+ [K+].[I-],active
677
+ [N+](CCCl)(CCCl)(C)[O-],active
678
+ [N+](=O)([O-])c1ccccc1C,active
679
+ Cl[C@@]1(C(C)2C)C(Cl)(Cl)C(Cl)([C@](Cl)(C2=C)C1Cl)Cl,active
680
+ O=[N+](C1=CC=C2C3=C4C(=CC=C13)C=CC=C4C=C2)[O-],active
681
+ C[As](C)(C)=O,active
682
+ C[As](=O)(C)O,active
683
+ C\C(C)=C/Cl,active
684
+ N(CC(F)(F)F)(CC)N=O,active
685
+ C[N+](=NC)[O-],active
686
+ C(O)(=O)[O-].[K+],active
687
+ C(CCl)(F)(F)F,active
688
+ O=CCCl,active
689
+ CN(C(=O)N)N=O,active
690
+ C(NN)(N)=O.Cl,active
691
+ CNNCC1=CC=C(C=C1)C(=O)NC(C)C,active
692
+ C(N)(=O)OC(C#C)(C1C=CC=CC=1)C2C=CC(=CC=2)Cl,active
693
+ C=CCC1=CC=C(C=C1)OC,active
694
+ C=CC1CCC=CC1,active
695
+ C=CC1=CC=CC=C1,active
696
+ C[Hg]Cl,active
697
+ NC1=CC(S(=O)([O-])=O)=CC2=C1C(O[Cu]OC4=C(C=CC(C5=CC(O[Cu]OC7=C(C(S(=O)([O-])=O)=CC8=C7C(N)=CC(S(=O)([O-])=O)=C8)\N=N6)=C/6C=C5)=C4)\N=N3)=C/3C(S(=O)([O-])=O)=C2.[Na+].[Na+].[Na+].[Na+],active
698
+ C=CCl,active
699
+ CC1CO1,active
700
+ C=CBr,active
701
+ ClCC(Cl)CCl,active
702
+ C=C(Cl)C=C,active
703
+ C=CC=C,active
704
+ C=CC#N,active
705
+ C=CC(C1=CC=C(C=C1)OC)O,active
706
+ C(/C)(C)=N\NC1=NC=C(S1)C2=CC=C(O2)[N+](=O)[O-],active
707
+ ClC(=CCl)Cl,active
708
+ OC1=C(C=C(C=C1)N)[N+](=O)[O-],active
709
+ NC1=C(C=CC=C1)C(=O)OC/C=C/C2=CC=CC=C2,active
710
+ C(/C1=CC=C(C=C1)N(CC2=CC(=CC=C2)S(=O)(=O)[O-])CC)(=C3\C=C/C(C=C3)=[N+](/CC4=CC(=CC=C4)S(=O)(=O)[O-])CC)C5=CC=C(C=C5)N(C)C.[Na+],active
711
+ C1(=C(C=CC=C1)N)OC.[H]Cl,active
712
+ BrCCBr,active
713
+ NC(C=C(C=C1)N)=C1OC.O=S(O)(O)=O,active
714
+ BrC(Br)Br,active
715
+ CC(=O)OC=C,active
716
+ BrC2=C(C=C(Br)C(Br)=C2)C1=C(Br)C=C(Br)C(Br)=C1,active
717
+ C1(=C(C(OCCCCCCC(C)C)=O)C=CC=C1)C(OCCCCCCC(C)C)=O,active
718
+ BrC1=C(OC2=C(Br)C(Br)=C(Br)C(Br)=C2Br)C(Br)=C(Br)C(Br)=C1Br,active
719
+ O=C1NC(=O)NC=C1,active
720
+ O=C(O[C@@H]1CCN2[C@@]([H])1C3=CC2)\C(C[C@@H](C)[C@](O)(CO)C(OC3)=O)=C([H])/C,active
721
+ C(C1=CC=CC=C1)(C2CCCCN2)C(OC)=O.[H]Cl,active
722
+ C1(C(=CC=C(C=1)C)N)C.[H]Cl,active
723
+ C(CCC)(CCC)C(=O)[O-].C(CCC)(CCC)C(=O)[O-].[Ca+2],active
724
+ ClC53C1(Cl)C4(Cl)C2(Cl)C1(Cl)C(Cl)(Cl)C5(Cl)C2(Cl)C3(Cl)C4(Cl)Cl,active
725
+ O=S(C1=C(/N=N/C2=CC=C(C3=CC=C(\N=N/C4=C(S(=O)([O-])=O)C=C5C(C(N)=CC(S(=O)([O-])=O)=C5)=C4O)C=C3)C=C2)C(O)=C(C(N)=CC(S(=O)([O-])=O)=C6)C6=C1)([O-])=O.[Na+].[Na+].[Na+].[Na+],active
726
+ C1(NS(=O)(=O)[O-])CCCCC1.[Na+],active
727
+ C(C(COCCl)OCCl)OCCl,active
728
+ C([O-])(C)=O.[Pb+2].[O-]C(C)=O,active
729
+ C(C1=CC=C(C=C1)N)C2=CC=C(C=C2)N.[H]Cl.[H]Cl,active
730
+ C(C1=CC=C(C=C1)N)(C2=CC=C(C=C2)N)=C3C=CC(C=C3)=N.[H]Cl,active
731
+ C(C1)N1C(=CC(=O)C=2N(C3)C3)C(=O)C=2N(C4)C4,active
732
+ CC(OC1=CC=C(C=C1)Cl)(C(=O)OCC)C,active
733
+ CC/C(=C/CC)[N+](=O)[O-],active
734
+ O=C(N(C)C)NC1=CC=C(C=C1)Cl,active
735
+ N1C2=C(N3C=1/C(=C\C=C/3)C)N=C(C=C2)N,active
736
+ Cl\C(Cl)=C(Cl)/C(Cl)=C(Cl)\Cl,active
737
+ OC1=C(C([O-])=O)C=C(N=NC2=CC=C(C3=CC=C(N=NC4=C([O-])C(/N=N/C(C=C(S([O-])(=O)=O)C=C5)=C5[O-])=CC=C4O)C=C3)C=C2)C=C1.[Na+].[Na+].[Cu+2],active
738
+ CC(NC1=CC=C(C2=CC=C(F)C=C2)C=C1)=O,active
739
+ CC(O)CN(C)N=O,active
740
+ N(CC(C)O)(CC=C)N=O,active
741
+ CC1=C(C=C(C=C1)C)OCCCC(C(=O)O)(C)C,active
742
+ CC1=C(C=CC(=C1)C)C,active
743
+ CC1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)C)N,active
744
+ CC1(C(=C(CCC1)C)C=CC(=CC=CC(=CCOC(=O)C)C)C)C,active
745
+ CC1(CC(=CC(=O)C1)C)C,active
746
+ CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],active
747
+ CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],active
748
+ CC(C)N(C(=O)SCC(\Cl)=C\Cl)C(C)C,active
749
+ N#CN(CC)N=O,active
750
+ CC(C)OC1=CC=CC=C1OC(=O)N(C)N=O,active
751
+ CC(C/C=N/N(C=O)C)C,active
752
+ O=S(C1=NC2=C(C=CC(=C2)OC)N1)CC3=C(C(=C(C=N3)C)OC)C,active
753
+ CC(C)=C,active
754
+ CC(C)C(O)(C(C)O)C(=O)OC\C1=C\CN2CC[C@@H](OC(=O)C(\C)=C\C)[C@@H]12,active
755
+ CC(C)CC(=O)O[C@H]1C[C@]2(COC(C)=O)[C@@]4(C)[C@H](OC(C)=O)[C@@H](O)[C@@H](O[C@@H]2/C=C1/C)[C@]34CO3,active
756
+ CC(CCl)OC(C)CCl,active
757
+ CC(Cl)(Cl)F,active
758
+ ClC(C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl)(Cl)Cl,active
759
+ CC(CON=O)C,active
760
+ CC(C=O)Cl,active
761
+ CC(C1=C(C(=C(C(=C1[N+](=O)[O-])C)[N+](=O)[O-])C)[N+](=O)[O-])(C)C,active
762
+ CC(CC)[N+]([O-])=O,active
763
+ CC1SC(SC(N1N=O)C)C,active
764
+ N12C3=C(C=CC(=N3)N)N=C1C=CC=C2,active
765
+ Cl.CCCCNN,active
766
+ N(CC=C)(CCO)N=O,active
767
+ N(NCCCC)CCCC.Cl.Cl,active
768
+ C1(C2=CC(=C(N)C=C2)C)(=CC(=C(N)C=C1)C).[H]Cl.[H]Cl,active
769
+ CC1CC(=O)O1,active
770
+ CC1CC(OC(O1)C)OC(=O)C,active
771
+ CCCC(Cl)CCC(Cl)CCC(Cl)CCC(Cl)CCC(Cl)CCC(Cl)CCC(Cl)C,active
772
+ CCCC/C=N/N(C=O)C,active
773
+ CCCC1=CC2=C(C=C1)OCO2,active
774
+ CCCC1=CC2=C(C=C1COCCOCCOCCCC)OCO2,active
775
+ CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC,active
776
+ S=C(N(CCO)CCO)[S-].[K+],active
777
+ CCC1=CC=CC=C1,active
778
+ CCC1CO1,active
779
+ CC1=C(C=CC=C1)S(=O)(=O)N,active
780
+ C1(=C(C(=C(C=C1)C(C)=O)O)CCC)OCCCCC2NN=NN=2,active
781
+ COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)OC)N=C=O,active
782
+ FC(F)(F)CNC(=N)Nc1ccn(CCCCC(N)=O)n1,active
783
+ ClC(Br)Br,active
784
+ C1=C(C=CC=C1OCC2CO2)OCC3CO3,active
785
+ CC1=C(C=CC=C1)/N=N/C2=CC(=C(C=C2)N)C,active
786
+ CC1=C(C=CC=C1)N=O,active
787
+ CC1=CC(=O)NC(=S)N1,active
788
+ CC1=CC(C)=C(/N=N/C2=C(C(S([O-])(=O)=O)=CC3=C2C=CC(S([O-])(=O)=O)=C3)O)C=C1C.[Na+].[Na+],active
789
+ O=C1CCO1,active
790
+ CC1=CC=CC(C)=C1,active
791
+ CC1=C2C(=CO[C@H]([C@@H]2C)C)C(=C(C1=O)C(=O)O)O,active
792
+ CC1=C2C=CC=CC2=C(C3=CC=C4C(=C13)C=CC=C4)C,active
793
+ NC1=CC=C(C=C1)OC2=CC=C(C=C2)N,active
794
+ CC1=C2C3=C(C=C4C(=C3CC2)C=CC5=CC=CC=C45)C=C1,active
795
+ [N+].C1(N(N=O)[O-])=CC=CC=C1,active
796
+ CN(CCO)N=O,active
797
+ CC(C)(C)NC(=O)[C@H]4CC[C@@H]3[C@]4(C)CC[C@H]1[C@H]3CC[C@H]2NC(=O)\C=C/[C@]12C,active
798
+ C1=CC=C2C(=C1)N=C(N=C2N(CCO)CCO)C3=CC=C(S3)[N+]([O-])=O,active
799
+ CC(=O)OCC1=CC=CC=C1,active
800
+ CC1=CC=CC(C)=C1,inactive
801
+ C([O-])(=O)CN(CC(=O)O)CCN(CC([O-])=O)CC([O-])=O.[Na+].[Na+].[Na+].[H]O[H].[H]O[H].[H]O[H],inactive
802
+ C1(=C(C=CC(=C1)N(CCO)CCO)NCCO)[N+]([O-])=O,inactive
803
+ C([N+](C)(C)C)CCl.[Cl-],inactive
804
+ FC(C(OC(F)F)Cl)(F)F,inactive
805
+ C([O-])(C)=O.[O-]C(C)=O.[Ni+2],inactive
806
+ C(C(=O)[O-])(O[Ti](OC(C(=O)[O-])=O)=O)=O.[K+].[K+],inactive
807
+ O=[As](O)(O)[O-].[Na+],inactive
808
+ C(C(F)(Cl)Cl)(F)(F)Cl,inactive
809
+ CCCOC(=O)[CH]1[CH](C)CC2=C(C=C3OCOC3=C2)[CH]1C(=O)OCCC,inactive
810
+ CC(CO)O,inactive
811
+ C([S-])#N.[Na+],inactive
812
+ ClC1=CC(=CC=C1OCC(=O)OC(C)C)Cl,inactive
813
+ ClC1=NC(=NC(=N1)NC2=CC=CC=C2Cl)Cl,inactive
814
+ C=C(F)F,inactive
815
+ FC(C(F)Cl)(OC(F)F)F,inactive
816
+ C1N2CN3CN(C2)CN1C3,inactive
817
+ O=NN1CCC[C@H]1[C@@](O)=O,inactive
818
+ C1(=CC(=C(C(=C1)N)C)N).[H]Cl.[H]Cl,inactive
819
+ O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO,inactive
820
+ N1=C(SNC2CCCCC2)SC3=C1C=CC=C3,inactive
821
+ CC(=O)O[C@@H]3CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O)[C@H](C)C[C@H](CC=O)[C@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]1C[C@@](C)(O)[C@H](OC(=O)CC(C)C)[C@H](C)O1)[C@H](N(C)C)[C@H]2O)C3OC,inactive
822
+ IC(I)I,inactive
823
+ C(C(C)O)(O[Ca]OC(C(C)O)=O)=O,inactive
824
+ C1CCNCC1,inactive
825
+ O=NN(/C(=N\C#N)NCCSCC1=C(N=CN1)C)C,inactive
826
+ ClC1=CC2=C(C=C1)OC3=C(C=CC(=C3)Cl)O2,inactive
827
+ O=CCBr,inactive
828
+ O=C(C1=CC=CC=C1)OOC(=O)C2=CC=CC=C2,inactive
829
+ OC1=C(C=C(C=C1)CC=C)OC,inactive
830
+ O=C3[C@@]2(C)CC[C@]1([H])[C@](CC[C@H](OS(=O)(O)=O)C4)(C)C4=CC[C@]([H])1[C@@]([H])2CC3,inactive
831
+ O=S(=O)(C1=CC=C(C=C1)Cl)NC(=O)NCCC,inactive
832
+ OC(=O)[C@]3(C)C[C@H]4/C5=C/C(=O)[C@H]2[C@@](C)(CC[C@@H]1[C@]2(C)CC[C@H](O)C1(C)C)[C@]5(C)CC[C@@]4(C)CC3,inactive
833
+ C(=O)(/C=C/C)OC1=C(C(CCCCCC)C)C=C(C=C1[N+]([O-])=O)[N+]([O-])=O,inactive
834
+ FC(Cl)(Cl)Cl,inactive
835
+ ClC(C(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC)(Cl)Cl,inactive
836
+ N1=CC=CC2=CC=CC(=C12)O[Cu]OC3=CC=CC4=CC=CN=C34,inactive
837
+ O=NN(C)C2=NC1=CC=C(Cl)C=C1C(C3=CC=CC=C3)=[N+]([O-])C2,inactive
838
+ CC1=C2C(=CC=C1)C=CC=C2,inactive
839
+ O[C@@]12[C@]3([H])C(O[C@@](C[C@]5(CC[C@H](C)[C@]([C@@H](C)CC)([H])O5)O4)([H])C[C@@]4([H])C/C=C(C)/[C@@H](O[C@]6([H])O[C@@H](C)[C@H](O[C@@]7([H])C[C@H](OC)[C@@H](O)[C@H](C)O7)[C@@H](OC)C6)[C@@H](C)/C=C/C=C1\CO[C@@]([H])2[C@H](O)C(C)=C3)=O,inactive
840
+ OC1=C(C=CC(=C1)O)CCCCCC,inactive
841
+ C(=O)([O-])/C1=C/C(=O)NC(N1)=O.[Na+],inactive
842
+ O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].Cl[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],inactive
843
+ C1=C(Cl)C=C3C(=C1)N(CCO)C(=O)C(O)N=C3C2=CC=CC=C2F,inactive
844
+ [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1,inactive
845
+ O=S(=O)(C1=CC=C(C=C1)C)NC(=O)NCCCC,inactive
846
+ O=S(C1=CC=C(C(C)CCCCCCCCCC)C=C1)([O-])=O.[Na+],inactive
847
+ CC(=O)O[C@H]\1CC[C@H]4C(=C/1)/CC[C@@H]2[C@@H]4CC[C@]3(C)[C@@](CC[C@@H]23)(C#C)OC(C)=O,inactive
848
+ C(C1=CC=C(O)C=C1)(C)(C)C,inactive
849
+ [O-]P(=O)=O.[Na+],inactive
850
+ O=C(NN)OC,inactive
851
+ O=S(=O)(C1=CC=C(C=C1)Cl)OC2=CC=C(C=C2)Cl,inactive
852
+ O=C1C2=C(C=CC=C2)N=NN1CSP(=S)(OC)OC,inactive
853
+ O=S(=O)(C1=CC=C(C=C1)C)NC(=O)NN2CCCCCC2,inactive
854
+ Cl/C2=C(\Cl)C3(Cl)C1C(Cl)OC(Cl)C1C2(Cl)C3(Cl)Cl,inactive
855
+ O=S1(=O)CC=CC1,inactive
856
+ CC1CC(OC(O1)C)OC(=O)C,inactive
857
+ OCC1=CC=CC=C1,inactive
858
+ ClC1=C(C=C(C=C1)Cl)OC(C(=O)O)C,inactive
859
+ O=S1OCCO1,inactive
860
+ CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)COC(=O)C)S[Au]=P(CC)(CC)CC)OC(=O)C,inactive
861
+ O=S(C1=CC=C2C(C=CC(O)=C2\N=N/C3=CC=C(S(=O)([O-])=O)C=C3)=C1)([O-])=O.[Na+].[Na+],inactive
862
+ F[B-](F)(F)F.[Na+],inactive
863
+ O=S(O)(O)=O.O[C@@H]([C@H](C)NC)[C@@]1=CC=CC=C1.O[C@@H]([C@H](C)NC)[C@@]2=CC=CC=C2,inactive
864
+ O=S(O)(O)=O.C1(=CC=CC=C1CC(N)C).C2=CC=CC=C2CC(N)C,inactive
865
+ [Sn+2].[Cl-].[Cl-],inactive
866
+ O=C(C(=C)C)OC,inactive
867
+ Br/C(Br)=C/[C@H]3[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc1ccccc1)c2)C3(C)C,inactive
868
+ C=CC1=CC=C(C=C1)C,inactive
869
+ O=CCCCC=O,inactive
870
+ .[Cl-].[Ca+2].[Cl-],inactive
871
+ C=CC(OCC)OCC,inactive
872
+ BrC(C(=O)NC(=O)N)(CC)CC,inactive
873
+ [Ti+2](C1=CC=CC1)C2(=CC=CC2).[Cl-].[Cl-],inactive
874
+ CC1=CC=CC2=CC=CN=C12,inactive
875
+ O=[N],inactive
876
+ Cl\C2=C(/Cl)C3(Cl)C1COS(=O)OCC1C2(Cl)C3(Cl)Cl,inactive
877
+ O=S(=O)([O-])[O-].O.O.O.O.O.O.[Ni+2],inactive
878
+ ClC([N+](=O)[O-])(Cl)Cl,inactive
879
+ [O-]S([O-])(=O)=O.S(=O)(=O)([O-])[O-].[Zr+4],inactive
880
+ O=S(=O)(C1=CC(=C(C=C1Cl)Cl)Cl)C2=CC=C(C=C2)Cl,inactive
881
+ O=S(=O)(C1=C(C=CC=C1)/C(=C2\C=C/C(=[N+](/CC3=CC(=CC=C3)S(=O)(=O)[O-])CC)C=C2)C4=CC=C(C=C4)N(CC5=CC(=CC=C5)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+],inactive
882
+ [S-]C1=NC(C=CC=C2)=C2S1.[S-]C3=NC(C=CC=C4)=C4S3.[Zn+2],inactive
883
+ O=S([N-]C1=O)(OC(C)=C1)=O.[K+],inactive
884
+ O=S(=O)([O-])[O-].O.[Mn+2],inactive
885
+ O=S(=O)([O-])[O-].[V+2]=O,inactive
886
+ [O]N=O,inactive
887
+ O=C1C2=C(C=C(C=C2O)O)O/C(=C\1O)C3=CC(=C(C=C3)O)O.O.O,inactive
888
+ C[N+](CCC(C1=CC=C(C=C1)Cl)C2=NC=CC=C2)C.C(\C(=C(/C(=O)[O-])[H])[H])(=O)O,inactive
889
+ C[N+](CCCCCCCCCCCC)(C)[O-],inactive
890
+ C12C3=C(C=CC=C3)CC1=CC=CC=2NC(C)=O,inactive
891
+ O=C1C2=C(C=C(C=C2O)O)OC(=C1O)C3=CC=C(C=C3)O,inactive
892
+ OC1=CC=CC=C1,inactive
893
+ C\1=C/C(O[C@@H](C/C=C/C=C/C=C/C=C/[C@@H](C[C@@H]3O[C@](C[C@H](C[C@H]2O[C@H]/12)O)(C[C@@H]([C@H]3C(O)=O)O)O)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@@H]4O)N)O)C)C)=O,inactive
894
+ Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)CC[C@@H]12)c4cc3,inactive
895
+ O=C(C1=CCCN(N=O)C1)OC,inactive
896
+ CC(=O)NC1=C2CC3=CC=CC=C3C2=CC=C1,inactive
897
+ C/C=C/C1=CC2=C(C=C1)OCO2,inactive
898
+ O=C1C=CC(=O)NN1,inactive
899
+ O=C1OC(=O)CC1,inactive
900
+ C[C@@H]3O[C@]1(CS3)C2CCN(CC2)C1.C[C@@H]6O[C@]4(CS6)C5CCN(CC5)C4.O.Cl.Cl,inactive
901
+ OCCOCCOC1=CC=C(CCCCCCCCC)C=C1,inactive
902
+ Cl[Mg]Cl.O.O.O.O.O.O,inactive
903
+ O=C1C2=C(N=CN2C)N(C(=O)N1C)C,inactive
904
+ Oc1ccc(cc1OC)/C=C/C(=O)OCCc2ccccc2,inactive
905
+ O=C1C2=C(C=CC=C2)C(=O)C(=C1Cl)Cl,inactive
906
+ ClC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=C(Cl)Cl)Cl,inactive
907
+ C[C@H](C\C=C\C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C,inactive
908
+ FC(F)(Cl)Cl,inactive
909
+ O=C1C2=C(C=CC=C2)C(=O)O1,inactive
910
+ CC(=O)N[C@@H](CS)C(=O)O,inactive
911
+ O=C(C(=NOC(=O)NC)SC)N(C)C,inactive
912
+ C=C(Cl)C=C,inactive
913
+ O1C(=CC=C1[N+](=O)[O-])/C(=N/O)N,inactive
914
+ O=C1[C@](C(O)=C2[C@@]3([H])[C@@](O)(C)C4=C(C(O)=CC=C4)C2=O)(O)[C@]([C@H]3O)([H])[C@H](N(C)C)C(O)=C1C(N)=O.Cl,inactive
915
+ CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],inactive
916
+ O=C(OC1=CC=CC=C1)OC2=CC=CC=C2,inactive
917
+ O1C2=C(C=CC=C2)OC3=CC=CC=C13,inactive
918
+ CC2=C(C(C)=CC=C2)NC1=NCCCS1.Cl,inactive
919
+ O=C(OCC)CBr,inactive
920
+ O=C([O-])C(C(/C(CC([O-])=O)=C([C@@H](CCC([O-])=O)[C@@H]5C)\N=C5/C=C4\[N-]\C(C(C=C)=C4C)=C3)=N2)=C(C)/C2=C/C1=C(CC)C(C)=C/3[N-]1.[Na+].[Na+].[Na+].[Cu+2],inactive
921
+ ClC1=C(C=C(C(=C1)Cl)Cl)OCC(=O)O,inactive
922
+ N(CC(=O)[O-])CC(=O)O.[Na+],inactive
923
+ ClC1=C(C=C(C(=C1)Cl)Cl)OC(C(=O)O)C,inactive
924
+ N#CSCC1=CC=CC=C1,inactive
925
+ O=C1C(NC(=O)N1)NC(=O)N,inactive
926
+ O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl,inactive
927
+ C=C/C=N/O,inactive
928
+ CN(CCO)C,inactive
929
+ ClC1=C(C=CC(=C1)Cl)OCC(=O)OCCCC,inactive
930
+ OC(=O)CC1=C2C(=CC=C1)C=CC=C2,inactive
931
+ S=C(N(C)C)SSC(=S)N(C)C,inactive
932
+ O=C2C=1/N=C\NC=1N(C)C(=O)N2C,inactive
933
+ N1(CSCSC1)N=O,inactive
934
+ O=C4[C@@]3(C)CC[C@]2([H])C1=CC=C(OS(=O)([O-])=O)C=C1CC=C2[C@@]([H])3CC4.[Na+],inactive
935
+ N(=NC1=CC=C(C=C1)N(CCC)CCC)C2=CC=[N+](C=C2)[O-],inactive
936
+ O=C2C1=C(N=CN2)N([C@@H]3O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]3O)C=N1.[Na+].[Na+],inactive
937
+ C(CCCCCOCCl)OCCl,inactive
938
+ CC(=O)NNC(=O)C,inactive
939
+ NC1=C(C=CC=C1)C(=O)O,inactive
940
+ O=C2[C@@H](O)[C@]1(CO)[C@]([C@@H]4O)(C)[C@]3(OC3)[C@]([C@@H]4O)([H])O[C@@]([H])1C=C2C,inactive
941
+ C(CCC(=O)O)([O-])=O.[Na+],inactive
942
+ S=C(NC)NC,inactive
943
+ CC(=O)O[Sn](OC(=O)C)(CCCC)CCCC,inactive
944
+ CC1=C(SSC1=S)C2=CN=CC=N2,inactive
945
+ O=CC=C(CCC=C(C)C)C,inactive
946
+ C(C1=CC=CC=C1)(C2=CC=CC=C2)OCCN(C)C.[H]Cl,inactive
947
+ O=C([O-])C(NN1C2=CC=C(S(=O)([O-])=O)C=C2)=C(/N=N/C3=CC=C(S(=O)([O-])=O)C=C3)C1=O.[Na+].[Na+].[Na+],inactive
948
+ O=C2CC3=C(CC2)[C@]1([H])[C@](CC3)([H])[C@@](CC4)([H])[C@]([C@]4(O)C#C)(C)CC1,inactive
949
+ CC1=C(Cl)C(=O)OC2=C1C=CC(=C2)OP(=S)(OCC)OCC,inactive
950
+ C(CC([O-])=O)(CC(O)=O)(C([O-])=O)O.[N+].[N+],inactive
951
+ C12(C(=C(/N=N/C3=C(C4=C(C(=C3)S(=O)(=O)[O-])C=CC=C4)O)C=CC=1S(=O)(=O)[O-])C=CC=C2).[Na+].[Na+],inactive
952
+ S=C(N(C)C)SSC(=S)N(C)C,inactive
953
+ CC(C)NCC(O)COC1(=CC=C(C=C1)CC(=O)N).[H]Cl,inactive
954
+ Clc1c([N+]([O-])=O)c(Cl)c(Cl)c(OC)c1Cl,inactive
955
+ CC1(C(=C(CCC1)C)C=CC(=CC=CC(=CC(=O)O)C)C)C,inactive
956
+ C(CCOCCl)COCCl,inactive
957
+ S=C([S-])N(CCCC)CCCC.[S-]C(N(CCCC)CCCC)=S.[Zn+2],inactive
958
+ C(NC)CC(OC1=CC=C(C=C1)C(F)(F)F)C2=CC=CC=C2.[H]Cl,inactive
959
+ C(S)(=S)N(C)C.N(C)C,inactive
960
+ O=C1c2c(O)cc(C)cc2C(=O)c3cc(O)cc(O)c13,inactive
961
+ N(C1=CC=C(C=C1)NC2=CC=CC=C2)C3=CC=CC=C3,inactive
962
+ O=C1CCCO1,inactive
963
+ O=C1CCCCCN1,inactive
964
+ O=C1CCCCC1,inactive
965
+ C[C@]12[C@@]3(C(OC4[C@@]1(C(C(=O)C(=C4)C)O)CO)[C@@H]([C@@H]2OC(=O)C)O)CO3,inactive
966
+ [O-]C1=C(I)C=C(C(C2=C(C([O-])=O)C=CC=C2)=C3C=C(C(C(I)=C3O4)=O)I)C4=C1I.[Na+].[Na+],inactive
967
+ OC(CNC(C)C)COC1=CC=CC=C1OCC=C.Cl,inactive
968
+ C1(=CC=C2C(=C1)S([N-]C2=O)(=O)=O).C3(=CC=C4C(=C3)S([N-]C4=O)(=O)=O).[Ca+2],inactive
969
+ OC(C(Cl)(Cl)Cl)P(=O)(OC)OC,inactive
970
+ C(S(=O)(=O)[O-])CS.[Na+],inactive
971
+ ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl,inactive
972
+ O=C1N(C2=CC=CC=C2)N(C(=C1N(C)C)C)C,inactive
973
+ O=C1N2C(C3=C(C=CC=C3)CC2)CN(C1)C(=O)C4CCCCC4,inactive
974
+ Cl.Cl.[O-][N+](=O)c1cccc(c1)C/2C(\C(=O)OC)=C(\C)NC(\C)=C\2C(=O)OCCN3CCN(CC3)C(c4ccccc4)c5ccccc5,inactive
975
+ C(N)(N)=O,inactive
976
+ [K+].[K+].[O-]C(=O)C2O[Sb]3OC(C(O[Sb]1OC(=O)C2O1)C([O-])=O)C(=O)O3.O.O.O,inactive
977
+ OCC(O)CO,inactive
978
+ CC1=CC(NC2=C1C=C(C=C2)OCC)(C)C,inactive
979
+ CC(C1=CC(=C(C=C1O)C)SC2=CC(=C(C=C2C)O)C(C)(C)C)(C)C,inactive
980
+ CCN(CC)C(=O)C1=CC=CC(C)=C1,inactive
981
+ OCC(=O)[C@@]4(O)C[C@H](O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1)c5c(O)c3C(=O)c2c(OC)cccc2C(=O)c3c(O)c5C4,inactive
982
+ O=C2C1=C(CCC2)C(OC[C@@H](O)CNC(C)(C)C)=CC=C1.Cl,inactive
983
+ OC1=CC=CC2=CC=CN=C12,inactive
984
+ S=C(N(C)C)S[Bi](SC(=S)N(C)C)SC(=S)N(C)C,inactive
985
+ CCN(CC)C=O,inactive
986
+ N1C2=C(C=CC=C2)N=N1,inactive
987
+ OCCOCCOCCO,inactive
988
+ OC1=CC(=CC=C1)O,inactive
989
+ C1=CC=C(C(C(=O)OC)C2N(N=O)CCCC2)C=C1,inactive
990
+ O=CNNC1=NC(C2=CC=CO2)=CS1,inactive
991
+ COC1=C(C(=CC2=C1C3=CC=C(OC)C(=O)C=C3[C@@H](NC)CC2)OC)OC,inactive
992
+ Cl.CN(C)[C@@H]2C(\O)=C(\C(N)=O)C(=O)[C@@]3(O)C(/O)=C4/C(=O)c1c(cccc1O)[C@@](C)(O)[C@H]4C[C@@H]23,inactive
993
+ CC(=O)O[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,inactive
994
+ OCCN.O=C(C1=C(C=CC(=C1)Cl)O)NC2=CC=C(C=C2Cl)[N+](=O)[O-],inactive
995
+ O=C(C4=CC(OC)=C(C(OC)=C4)OC)O[C@@H]1C[C@@]3([H])[C@@](C[C@](N5C3)([H])C2=C(CC5)C(C=CC=C6)=C6N2)([H])[C@H]([C@](OC)=O)[C@H]1OC,inactive
996
+ [H][C@@]12[C@]([H])(NC([C@H](N)C3=CC=CC=C3)=O)C(N1[C@@H]([C@@](O)=O)C(C)(C)S2)=O.O.O.O,inactive
997
+ [H][N+]([H])([H])[H].[Cl-],inactive
998
+ OC2=CC1=C(C(O)=C2)C(C(O[C@@H]4O[C@@H]([C@H]([C@H](O)[C@H]4O)O)CO[C@H]3[C@H](O)[C@H](O)[C@H]([C@H](C)O3)O)=C(C5=CC(O)=C(C=C5)O)O1)=O.O=S(O)(O)=O,inactive
999
+ COc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C)c4cc3,inactive
1000
+ N1C(=O)C(CC)(CCC(C)C)C(=O)NC1=O,inactive
1001
+ [Na+].[N-]=[N+]=[N-],inactive
1002
+ [Na+].[Na+].OC(=O)[C@]5(C)C[C@H]6/C7=C/C(=O)[C@H]4[C@@](C)(CC[C@@H]3[C@]4(C)CC[C@H](OC2O[C@H](C([O-])=O)[C@@H](O)[C@H](O)[C@H]2O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C([O-])=O)C3(C)C)[C@]7(C)CC[C@@]6(C)CC5,inactive
1003
+ C12=C(C(NC(=N1)N)=O)N(C)C=N2,inactive
1004
+ OC1=CC=C(C=C1)C2=CC=CC=C2,inactive
1005
+ O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[K+],inactive
1006
+ CC(=O)OC(C1=CC=C(O1)[N+](=O)[O-])OC(=O)C,inactive
1007
+ OCC(O)CO,inactive
1008
+ [Na+].[O-]C(=O)[C@@H](N)CC(O)=O,inactive
1009
+ COc3ccccc3N2CCN(CCCN\C1=C\C(=O)N(C)C(=O)N1C)CC2,inactive
1010
+ OC2=CC1=C(C(O)=C2)C(C(O[C@@H]4O[C@@H]([C@H]([C@H](O)[C@H]4O)O)CO[C@H]3[C@H](O)[C@H](O)[C@H]([C@H](C)O3)O)=C(C5=CC(O)=C(C=C5)O)O1)=O,inactive
1011
+ OCC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CC\C1=C\C(=O)/C=C\[C@]1(C)[C@H]4C(=O)C[C@@]23C,inactive
1012
+ OCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CC\C1=C\C(=O)CC[C@]1(C)[C@H]4[C@@H](O)C[C@]23C,inactive
1013
+ CCN(CC)CCOC1=CC=C(C=C1)[C](O)(CC2=CC=C(OC)C=C2)C3=CC=CC=C3,inactive
1014
+ O=C1C2=C(C=CC=C2)C(=O)C3=C1C=CC=C3,inactive
1015
+ Oc1ccc(C[C@](C)(N)C(O)=O)cc1O.OC(=O)[C@@](C)(N)Cc1cc(O)c(O)cc1.O.O.O,inactive
1016
+ C12C(C3C(CC1C3)NC(N(C)C)=O)CCC2,inactive
1017
+ CC(=O)O[Hg]C1=CC=CC=C1,inactive
1018
+ CC(C)(O)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2C(\CCC[C@]12C)=C\C=C3\C[C@@H](O)CCC3=C,inactive
1019
+ CC(=O)O[C@H]\1CC[C@H]4C(=C/1)/CC[C@@H]2[C@@H]4CC[C@]3(C)[C@@](CC[C@@H]23)(C#C)OC(C)=O,inactive
1020
+ S=C=NCC1=CC=CC=C1,inactive
1021
+ S=C=NC1=CC=CC=C1,inactive
1022
+ S=P(SCC(=O)NC)(OC)OC,inactive
1023
+ S=C1NC=NC2=C1N=CN2,inactive
1024
+ S=C=NCCCCCCC1=CC=CC=C1,inactive
1025
+ S=C(NC1CCCCC1)NC1CCCCC1,inactive
1026
+ O[C@@H](CO)[C@@H](O1)C(OCC)=C(O)C1=O,inactive
1027
+ S=C([S-])N(CC)CC.[S-]C(N(CC)CC)=S.[Zn+2],inactive
1028
+ S=C(S[Te](SC(=S)N(CC)CC)(SC(=S)N(CC)CC)SC(=S)N(CC)CC)N(CC)CC,inactive
1029
+ S=C(S[Pb]SC(N(C)C)=S)N(C)C,inactive
1030
+ [O-]C([C@H]([C@H](O)CO)O1)=C(O)C1=O.[Na+],inactive
1031
+ NNC1=CC=CC=C1,inactive
1032
+ S=P(OC1=NC(=NC(=C1)C)C(C)C)(OCC)OCC,inactive
1033
+ Se(=O)=O,inactive
1034
+ S1C=CC(=C1)CN(C2=NC=CC=C2)CCN(C)C,inactive
1035
+ .[Cl-].[Fe+3].[Cl-].[Cl-],inactive
1036
+ S=P(OC1=CC(=C(C=C1)SC)C)(OC)OC,inactive
1037
+ O[C@@H]2C/C(C(CC2)=C)=C/C=C3/[C@@]1([H])[C@@](CCC3)(C)[C@]([C@H](C)/C=C/[C@H](C)C(C)C)([H])CC1,inactive
1038
+ O=P(OC(=C(C(=O)N(CC)CC)Cl)C)(OC)OC,inactive
1039
+ .[K+].[Cl-],inactive
1040
+ S=P(OC1=CC=C(C=C1)[N+](=O)[O-])(OCC)OCC,inactive
1041
+ S=P(OC1=CC=C(C=C1)[N+](=O)[O-])(OC)OC,inactive
1042
+ [Na+].[F-],inactive
1043
+ S=C([S-])N(C)C.[S-]C(N(C)C)=S.[Cu+2],inactive
1044
+ CBr,inactive
1045
+ O=[N+](C1=CC(=C(C=C1)C(=O)O)N)[O-],inactive
1046
+ O=C1N(C2=CC=C(C=C2C(=NC1)C3=CC=CC=C3)Cl)CC4CC4,inactive
1047
+ [Fe+3].O=C([O-])CC(O)(CC(=O)[O-])C([O-])=O.O.O.O.O,inactive
1048
+ P,inactive
1049
+ OS(O)(=O)=O.OCCN(CCO)c1ccc(N)cc1,inactive
1050
+ S(NNC(N)=S)(=O)(=O)C1=CC=CC=C1,inactive
1051
+ [O-][N+](=O)CCCC,inactive
1052
+ [Cl-].OC[P+](CO)(CO)CO,inactive
1053
+ S=C(N(CC)CC)SSC(=S)N(CC)CC,inactive
1054
+ CCCCCl,inactive
1055
+ CCCCCCCN,inactive
1056
+ S=C(N1CCCCC1)SSSSSSC(=S)N1CCCCC1,inactive
1057
+ CCC1(C2=C(C3=C(C(=CC=C3)CC)N2)CCO1)CC(=O)O,inactive
1058
+ C12=CC(=CC(=C1C3=C(C(O2)=O)CCC3=O)OC)OC,inactive
1059
+ [Cd+2].[O-]C(C)=O.[O-]C(C)=O,inactive
1060
+ [Cl-].[Ba+2].[Cl-].O.O,inactive
1061
+ O=NN1CN(C2)CN(N=O)CN2C1,inactive
1062
+ O=C2NC(/N)=N\CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,inactive
1063
+ S=C(N(C)C)SC(=S)N(C)C,inactive
1064
+ OC(=O)CCCC\C=C(\c1cccnc1)c2ccccc2,inactive
1065
+ OC(=O)CCC(=O)OCC2(CCCC)C(=O)N(c1ccccc1)N(C2=O)c3ccccc3,inactive
1066
+ N=C\2/N=C3/O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1N3/C=C/2,inactive
1067
+ Cl.O=P1(OCC(C)(C)CO1)C\4=C(/C)NC(/C)=C(/C(=O)OCCN(Cc2ccccc2)c3ccccc3)C/4c5cccc(c5)[N+]([O-])=O.CCO,inactive
1068
+ C12C(=C(C=CC=1NC(C)=O)S(=O)(=O)[O-])C=C(C(=C2O)/N=N/C3=C4C(=C(C=C3)/N=N\C5=CC=C(C=C5)S(=O)(=O)[O-])C=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],inactive
1069
+ OC(=O)CC[C@@H](C)[C@H]4CC[C@@H]3[C@]4(C)CC[C@H]2[C@H]3[C@H](O)C[C@@H]1C[C@H](O)CC[C@@]12C,inactive
1070
+ O=C(O)COC1=C(C)C=C(Cl)C=C1,inactive
1071
+ N#[N+]C1=CC=CC=C1.F[B-](F)(F)F,inactive
1072
+ CC2(C)OC1(C)CCC2CC1,inactive
1073
+ O=C1C(C(=O)OC(=C1)C)C(=O)C,inactive
1074
+ OC(=O)CC[N+](=O)[O-],inactive
1075
+ O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F,inactive
1076
+ C1=CC=C2C(=C1)C=C(C=C2)C(CNC(C)C)O,inactive
1077
+ Cl,inactive
1078
+ C(/C1=C(C=C(C=C1)O)S(=O)(=O)[O-])(C2=CC=C(C=C2)N(CC3=CC(=CC=C3)S(=O)(=O)[O-])CC)=C4/C=C/C(C=C4)=[N+](\CC5=CC(=CC=C5)S(=O)(=O)[O-])CC.[Na+].[Na+],inactive
1079
+ [O-][N+](C)(C)CCCCCCCCCC,inactive
1080
+ O=C1NCCN1,inactive
1081
+ OC(C(C=CC=C1)=C1S(N2C)(=O)=O)=C2C(NC3=NC=C(C)S3)=O,inactive
1082
+ Cl.O=C(c2cn(C)c1ccccc12)[C@H]3CC=4N\C=N/C=4CC3,inactive
1083
+ OC(C)CCl,inactive
1084
+ OC(C)C,inactive
1085
+ OC(C(SC(Cl)=C1)=C1S(N2C)(=O)=O)=C2C(NC3=NC=CC=C3)=O,inactive
1086
+ N12([C@@H]([C@@H](C1=O)NC(COC3=CC=CC=C3)=O)SC([C@@H]2C(=O)[O-])(C)C).[K+],inactive
1087
+ ClC(C(C1=CC=C(C=C1)CC)C2=CC=C(C=C2)CC)Cl,inactive
1088
+ CC(C=NOC(=O)NC)(SC)C,inactive
1089
+ OC(=O)\C=C/C(O)=O.C(C(C1CCCCC1)C2CCCCC2)C3CCCCN3,inactive
1090
+ OC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],inactive
1091
+ Cl[O-].[Na+],inactive
1092
+ O1C(=O)/C2=C(\C3=C1C=C(C=C3OC)OC)CCC2,inactive
1093
+ O=C(NC1=CC=CC(=C1)Cl)OC(C)C,inactive
1094
+ OB(O)O,inactive
1095
+ O1C2C1CCC(C2)C1CO1,inactive
1096
+ S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC,inactive
1097
+ CS(=O)(=O)OCCCNCCCOS(C)(=O)=O.[H]Cl,inactive
1098
+ OC(=O)C1=CC(=C(C(=C1)O)O)O,inactive
1099
+ CC2(C)CCCC(\C)=C2\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(/C)CCCC1(C)C,inactive
1100
+ Cl[C@@H]1[C@H](OCCO1)Cl,inactive
1101
+ OC(=O)C1=CC=CC=C1,inactive
1102
+ OC(=O)C=C,inactive
1103
+ NC(=O)CC1=C2C(=CC=C1)C=CC=C2,inactive
1104
+ [O-][N+](OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O)=O,inactive
1105
+ OC(=O)C1=C(C=CC=C1)OC(=O)C,inactive
1106
+ [Be+2].O=S(=O)([O-])[O-],inactive
1107
+ O=S1(=O)C2=C(C=C(C(=C2)S(=O)(=O)N)Cl)NCN1,inactive
1108
+ O=C(CN1C(=O)CCC1)NC2=C(C=CC=C2C)C,inactive
1109
+ OC1=C(C=C(C=C1C(C)(C)C)CO)C(C)(C)C,inactive
1110
+ OC1=CC(=CC=C1O)CCN.[H]Cl,inactive
1111
+ C1(CSCCNC(NC)=NC#N)=C(C)NC=N1,inactive
1112
+ O=[N+](C1=CC2=CC=CN=C2C=C1)[O-],inactive
1113
+ C([N+](C)(C)C)CO.[Cl-],inactive
1114
+ [O-][N+](/C=C/C1=CC=CC=C1)=O,inactive
1115
+ OC[C@@H](NC(C(Cl)Cl)=O)[C@H](O)C1=CC=C(S(=O)(C)=O)C=C1,inactive
1116
+ Cl.CC(C)(C)NCC(O)COc1cccc(C)c1C,inactive
1117
+ [Ni],inactive
1118
+ OC1=C(C=C(C=C1C(C)(C)C)C(C)(C)C)C(C)(C)C,inactive
1119
+ CCCC1=CC2=C(C=C1COCCOCCOCCCC)OCO2,inactive
1120
+ OCC1=C(C(=C(C(=C1)/N=N/C2=C3C=CC=CC3=C(C=C2)S(=O)(=O)[O-])O)/N=N/C4=C5C=CC=CC5=C(C=C4)S(=O)(=O)[O-])O.[Na+].[Na+],inactive
1121
+ OC1=CC(O)=C(C[C@H]([C@@H]([C@]3=CC(O)=C(O)C(O)=C3)O2)OC(C4=CC(O)=C(O)C(O)=C4)=O)C2=C1,inactive
1122
+ CN(C)[C@@H]2/C=C\CC[C@@]2(c1ccccc1)C(=O)OCC.OC(=O)\C=C\C(O)=O,inactive
1123
+ [Na+].[O-]Cl=O,inactive
1124
+ Cl\C2=C(/Cl)C3(Cl)C1C4CC(C1C2(Cl)C3(Cl)Cl)C5OC45,inactive
1125
+ OC1=C(C=CC(=C1)CC(C(=O)O)N)O,inactive
1126
+ NC1(=CC=C(C=C1)NC2=CC=CC=C2).[H]Cl,inactive
1127
+ CCOP(=O)(C[CH]1CO1)OCC,inactive
1128
+ [Na+].C1(=CC=C2C(=C1S([O-])(=O)=O)C=CC=C2)/N=N/C3=C(C=CC4=C3C=CC=C4)O,inactive
1129
+ C1=C2C(=CC=C1NC3=CC=CC=C3)C=CC=C2,inactive
1130
+ Cl.CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2Cc3ccccc3C[C@H]2C(O)=O,inactive
1131
+ OC(COC1=CC=CC2=C1C=CC=C2)CNC(C)C.[H]Cl,inactive
1132
+ OC(=O)[C@@H]3[C@]51C[C@@](O)(CC[C@H]1[C@@]24\C=C/[C@H](O)[C@@](C)(C(=O)O2)[C@@H]34)C(=C)C5,inactive
1133
+ OC[P+](CO)(CO)CO.[O-]S([O-])(=O)=O.OC[P+](CO)(CO)CO,inactive
1134
+ OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,inactive
1135
+ OC(CNC(C)C)C1=CC=C(NS(=O)(C)=O)C=C1.[H]Cl,inactive
1136
+ OC(CN(C1=CC=C(N=N1)NN)C)C.Cl.Cl,inactive
1137
+ OC(CC(C1)C)C(C1)C(C)C,inactive
1138
+ CC3=CC=C(C=C3)\C(C2=CC=CC=N2)=C/CN1CCCC1.O.Cl,inactive
1139
+ OC(CO)CCl,inactive
1140
+ CC2=CC1=CC=CC=C1C=C2,inactive
1141
+ OC1=C(C=C(C(=C1CC2=C(C(=CC(=C2Cl)Cl)Cl)O)Cl)Cl)Cl,inactive
1142
+ OC1=C(C(=O)NC2=NC=CC=C2)N(S(=O)(=O)C3=C1C=CC=C3)C,inactive
1143
+ OC(=O)C1=CC=NC=C1,inactive
1144
+ OC=1[C@H](OC(=O)C=1O)[C@@H](O)CO,inactive
1145
+ OC1=C(C=C(C=C1C(C)(C)C)C)CC2=CC(=CC(=C2O)C(C)(C)C)C,inactive
1146
+ O=C(N1)N(C2OCCC2)C=C(F)C1=O,inactive
1147
+ OC1(=C(O)C(=O)O[C@H]1[C@@H](C[O-])O).[Na+],inactive
1148
+ Cl.CC(C)(C)NCC(O)CO/C1=C/N(C)C(=O)c2ccccc12,inactive
1149
+ Cl.CC3CCCC(C)N3CCCC(O)(c1ccccc1)c2ccccn2,inactive
1150
+ NCCS(O)(=O)=O,inactive
1151
+ [Cd+2].[Cl-].[Cl-].[H]O[H],inactive
1152
+ N1=C(SSC2=NC3=C(C=CC=C3)S2)SC4=C1C=CC=C4,inactive
1153
+ CC(Cl)(Cl)Cl,inactive
1154
+ O=C(O)[C@@H](N)CC1=CNC2=C1C=CC=C2,inactive
1155
+ C1=CC(=CC=N1)N(N=O)C,inactive
1156
+ CCCCCC(/C=C/C=C\CCCCCCCC(=O)OC)OO,inactive
1157
+ NC1=CC=C(C=C1)N,inactive
1158
+ NC1=CC=C(C=C1)Cl,inactive
1159
+ ClC(=C(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC,inactive
1160
+ CN(C=O)C,inactive
1161
+ OC1=CC=C(C=C1)OCC2=CC=CC=C2,inactive
1162
+ OC1=CC(C2=NC(N(C(C)C)C3=C2C=CC(C)=C3)=O)=CC=C1,inactive
1163
+ CC(CNCC(C)O)O,inactive
1164
+ NC1=NC(=NC(=N1)N)C2=CC=CC=C2,inactive
1165
+ CC(OC(=O)OC1CCCCC1)OC(=O)c5cccc6nc(OCC)n(Cc2ccc(cc2)c3ccccc3C\4=N\N=N/N/4)c56,inactive
1166
+ ClCC/C(C2=CC=CC=C2)=C(C3=CC=CC=C3)/C1=CC=C(C=C1)OCCN(C)C.OC(C(O)=O)(CC(O)=O)CC(O)=O,inactive
1167
+ C1=C2C(=CC=C1NC3=CC=C(C=C3)NC4=CC=C5C(=C4)C=CC=C5)C=CC=C2,inactive
1168
+ O[C@H]([C@@H]2O)[C@@H](O[C@@H]2CO)N1C(N=CN=C3NC)=C3N=C1,inactive
1169
+ C1=CC(=CC=C1NNC(CC[C@@H](C(O)=O)N)=O)CO,inactive
1170
+ OC(=O)CCCCCN,inactive
1171
+ CC(CN(CC(C)O)CC(C)O)O,inactive
1172
+ NC(=S)NC1=CC=CC=C1,inactive
1173
+ CC(Cl)Cl,inactive
1174
+ CN(C)C(C)=O,inactive
1175
+ S=C(N(CCCC)CCCC)S[Ni]SC(=S)N(CCCC)CCCC,inactive
1176
+ S=C([S-])NCCNC([S-])=S.[Zn+2],inactive
1177
+ C1=CC=C(C=N1)N(N=O)C,inactive
1178
+ BrC1=C(OC2=C(Br)C(Br)=C(Br)C(Br)=C2Br)C(Br)=C(Br)C(Br)=C1Br,inactive
1179
+ OC(=O)CCl,inactive
1180
+ CC(=O)[O-].[O-]C(=O)C.[O-]C(=O)C.[Cr+3],inactive
1181
+ O=C(C1=C(C=CC=C1)C(=O)OCC=C)OCC=C,inactive
1182
+ O=[N+](C1=C2C(=CC=C1)C=CC=C2)[O-],inactive
1183
+ C12(=C(C=C(C=C1C=CC(=C2/N=N/C3=CC=CC=C3)O)S(=O)(=O)[O-])S(=O)(=O)[O-]).[Na+].[Na+],inactive
1184
+ O=C2NC(=O)CCN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,inactive
1185
+ ClCl,inactive
1186
+ C1=CC=C5C(=C1)N(CC2=CC=C(F)C=C2)C(NC4CCN(CCC3=CC=C(OC)C=C3)CC4)=N5,inactive
1187
+ C1=CC=C(NC(=O)C(/N=N/C2=C(Cl)C=C(C3=CC(Cl)=C(/N=N/C(C(=O)NC4=CC=CC=C4)C(=O)C)C=C3)C=C2)C(=O)C)C=C1,inactive
1188
+ CC(CC1=CC=CC=C1)NN.[H]Cl,inactive
1189
+ CC(C)C=O,inactive
1190
+ NC1=C2C(=NC(=N1)N)N=CC(=N2)CN(C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C,inactive
1191
+ CC(C1=CC=C(C=C1)CC(C)C)C(=O)O,inactive
1192
+ ClC(F)C(F)(F)F,inactive
1193
+ CN1C2=CC=C(C=C2C(=NC(C1=O)O)C3=CC=CC=C3)Cl,inactive
1194
+ NC1=CC(=CC=C1)N,inactive
1195
+ N(C([S-])=S)(CC)CC.[S-]C(N(CC)CC)=S.[Cd+2],inactive
1196
+ [Na+].O=C([O-])[C@@H](N)CCC(O)=O,inactive
1197
+ O=C(O)CC[C@@H](C)[C@]3([H])[C@](CC2)(C)[C@](CC3)([H])[C@@](CC4)([H])[C@@]2([H])[C@]1(C)[C@@]4([H])C[C@H](O)CC1,inactive
1198
+ O[C@@H]1[C@@](O[C@@H](O[C@H](CO)[C@@H]2Cl)[C@H](O)[C@H]2O)(CCl)O[C@H](CCl)[C@H]1O,inactive
1199
+ O[C@H]1[C@@H]([C@H](O)CO)O[C@H]2[C@@H]1O[C@@H]([C@@](Cl)(Cl)Cl)O2,inactive
1200
+ O(S(=O)(=O)C)CCCCOS(=O)(C)=O,inactive
1201
+ [O-]S(S(=O)[O-])(=O)=O.[K+].[K+],inactive
1202
+ O.[Na+].O.O.CCN(CC)C([S-])=S,inactive
1203
+ CC(=O)[C@]2(CC[C@H]3[C@@H]4/C=C(/Cl)\C1=C\C(=O)CC[C@]1(C)[C@H]4CC[C@]23C)OC(C)=O,inactive
1204
+ O.O=C(Nc3cccc1c3O/C(=C\C1=O)C2=N\N\N=N2)c5ccc(OCCCCc4ccccc4)cc5.O=C(Nc3cccc1c3O/C(=C\C1=O)/C=2N\N=N/N=2)c5ccc(OCCCCc4ccccc4)cc5,inactive
1205
+ c1(n(cnc1)C)C[C@@H]2[C@@H](C(=O)OC2)CC,inactive
1206
+ N(=C(C=1)C)N(C(C)C)C=1OC(=O)N(C)C,inactive
1207
+ [As]21O[As]3O[As](O1)O[As](O2)O3,inactive
1208
+ C1(CCCCC1[N+]).O=S(=O)([O-])O,inactive
1209
+ ClC1=CC(C2=CC(Cl)=CC(Cl)=C2)=CC(Cl)=C1,inactive
1210
+ O[C@@H]1C2[C@@]34C5=C(C=CC(=C5O2)OC)CC(C3C=C1)N(C)CC4,inactive
1211
+ O[C@@H]1C(=O)C(\C)=C/[C@H]2O[C@@H]4[C@H](O)C[C@](C)([C@@]12CO)[C@@]34CO3,inactive
1212
+ C1(CCNC(NC(N)=N)=N)=CC=CC=C1.[H]Cl,inactive
1213
+ C1(C2=CC=C(C(=C2)Cl)N=NC(C(C)=O)C(=O)NC3=C(C=C(C(=C3)OC)Cl)OC)=CC(=C(C=C1)N=NC(C(C)=O)C(=O)NC4=CC(=C(C=C4OC)Cl)OC)Cl,inactive
1214
+ O[As](=O)(C1=CC=C(C=C1)NC(=O)N)O,inactive
1215
+ N1=C(SC2=C1C=CC=C2)SN3CCOCC3,inactive
1216
+ O[C@@]2([C@](OC)=O)[C@@]1([H])[C@]([C@](N6CC=C5)([H])[C@]5(CC)[C@H]2OC(C)=O)(CC6)C3=C(C=C(OC)[C@]([C@@]([C@@](OC)=O)(C[C@@H]8CN(C[C@](O)(CC)C8)CC7)C4=C7C(C=CC=C9)=C9N4)=C3)N1C,inactive
1217
+ C1(CCN=C=S)=CC=CC=C1,inactive
1218
+ ClC6C4(Cl)C3C1C5C(C3C2OC12)C4(Cl)C(Cl)(Cl)C56Cl,inactive
1219
+ NC2=CC=C(C(OC)=C2)\N=N/C1=CC=CC=C1,inactive
1220
+ NNC1=NC(=CS1)C2=CC=CC=C2,inactive
1221
+ OC(=O)CC1=CNC2=C1C=CC=C2,inactive
1222
+ C1=C(C=CC(=C1)C(C2=CC=C(N)C(=C2)C)=C3C=CC(=N)C=C3)N.[H]Cl,inactive
1223
+ OC(=O)C1=NN(C2=C1C=CC=C2)CC3=CC=C(C=C3Cl)Cl,inactive
1224
+ NC1=NC(N)=NC(C2=CC(Cl)=CC=C2Cl)=N1.O=C(O)/C=C\C(O)=O,inactive
1225
+ C(C\C=C/CCCCCCCC)CCCCCC(=O)[O-].[Na+],inactive
1226
+ CC1=C(C=CC(=C1)O)O,inactive
1227
+ [Hg+].[Cl-],inactive
1228
+ Cl.N#Cc1ccc(cc1)C3CCCc2cncn23,inactive
1229
+ ClC4=C(C=CC=C4)C2=NC(C)C1=NN=C(C)N1C3=C2C=C(CCC5=CC=C(CC(C)C)C=C5)S3,inactive
1230
+ C1(OCC=C)=CC=C(CC(=O)O)C=C1Cl,inactive
1231
+ CC(=O)[O-].[O-]C(=O)C.[Ca+2],inactive
1232
+ CC(=O)[O-].[O-]C(=O)C.[Ba+2],inactive
1233
+ O=S(=O)([O-])[O-].[Na+].[Na+],inactive
1234
+ O[As](=O)(C1=CC(=C(C=C1)O)[N+](=O)[O-])O,inactive
1235
+ C(CC(=O)O)(CC(=O)O)(C(=O)O)O.C(=C(/Cl)C1=CC=CC=C1)(/C2=CC=C(C=C2)OCCN(CC)CC)C3=CC=CC=C3,inactive
1236
+ C1=C(C(=C(C=C1O)C)N(C)C)C,inactive
1237
+ S=P(SC1C(SP(=S)(OCC)OCC)OCCO1)(OCC)OCC,inactive
1238
+ C1(SC2=C(C(=CC(=C2)Cl)Cl)[O-])(=C(C(=CC(=C1)Cl)Cl)[O-]).[Na+].[Na+],inactive
1239
+ S=C(S[Se](SC(=S)N(C)C)(SC(=S)N(C)C)SC(=S)N(C)C)N(C)C,inactive
1240
+ O=C(C(Cl)Cl)N[C@H](CO)[C@@H](C1=CC=C([N+]([O-])=O)C=C1)O,inactive
1241
+ CC(C)(CO)CCCCCCC(C)(C)CO,inactive
1242
+ FC(F)Cl,inactive
1243
+ CN(CCC2)[C@@H]2[C@]1=CN=CC=C1.Cl,inactive
1244
+ C1CCCNCCC1,inactive
1245
+ O=S(=O)(C1=CC=C(C=C1)C(=O)C)NC(=O)NC2CCCCC2,inactive
1246
+ [Na+].[Na+].S=C(NCCNC(=S)[S-])[S-],inactive
1247
+ OC1C2=C3C(C(OC4C3=C(C=C(C=4O)O)C(=O)O2)=O)=CC=1O,inactive
1248
+ [Na+].[O-]S(=O)(=O)c4ccc(c1c3cc(C)c(cc3[o+]c2cc(c(C)cc12)N(CC)CC)N(CC)CC)c(c4)S([O-])(=O)=O,inactive
1249
+ O.O.O.O.NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C(=O)N1)C\C2=C\N=C/N2,inactive
1250
+ C1CN(CC(O1)O)N=O,inactive
1251
+ N1(C2C(SC3=C1C=CC=C3)=CC=CC=2)CC(N(C)C)C.[H]Cl,inactive
1252
+ N1C(N(CC(C1=O)C)N=O)=O,inactive
1253
+ O=C(COC1=C(Cl)C=C(Cl)C=C1)OCC(CC)CCCC,inactive
1254
+ NC(=S)NN,inactive
1255
+ [N+].[O-],inactive
1256
+ CN(CCC2)[C@@H]2[C@]1=CN=CC=C1,inactive
1257
+ NC(=S)NNC(=S)N,inactive
1258
+ c1cccc2N\C=C/c12,inactive
1259
+ C3(S(N)(=O)=O)=CC=C(N2N=C(C(F)(F)F)C=C2C1=CC=C(C)C=C1)C=C3,inactive
1260
+ N1C(=NC2=C1C=CC=C2)C3=CSC=N3,inactive
1261
+ N1C(=NC(=C2C=CC=CC=12)N(CCO)CCO)C3=CC=CS3,inactive
1262
+ NC1=NC(C(C2=CC=CC=C2)O1)=O.O[Mg]O,inactive
1263
+ OC(=O)[C@@H](N)CSCC,inactive
1264
+ N#[N+][O-],inactive
1265
+ O[As](O)(C)=O,inactive
1266
+ O.[Zn+2].O.[O-]C(C)=O.[O-]C(C)=O,inactive
1267
+ N#CC(C1=CC=CC=C1)C2=CC=CC=C2,inactive
1268
+ N[C@@H](C\C1=C\N=C/N1)C(O)=O.Cl,inactive
1269
+ O=C(C)NCCSP(=S)(OC)OC,inactive
1270
+ ClC1=CC(=C(C=C1SC2=CC=C(C=C2)Cl)Cl)Cl,inactive
1271
+ NC(=O)CI,inactive
1272
+ C1OC1C2CO2,inactive
1273
+ OC(=O)C1=CC=CN=C1,inactive
1274
+ CC(C)\C1=C\C=C(/C)CC\C=C(/C)CC\C=C(/C)C[C@@H]1O,inactive
1275
+ OC(OC(O)CC)CC,inactive
1276
+ CN(N=O)C(=O)C1=C(C=CC=C1)C(=O)N(C)N=O,inactive
1277
+ OCCNC1=C(OCCO)C=C([N+]([O-])=O)C=C1,inactive
1278
+ C1CNCCN1,inactive
1279
+ C1(=CC=CC=C1)C(=O)[O-].[Na+],inactive
1280
+ S=C=NCCCC1=CC=CC=C1,inactive
1281
+ O=C2CC3=C(CC2)[C@]1([H])[C@](CC3)([H])[C@@](CC4)([H])[C@]([C@]4(O)C#C)(C)CC1,inactive
1282
+ N=C(N(CCCC)N=O)N[N+](=O)[O-],inactive
1283
+ C=CCO,inactive
1284
+ O=C(CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)NC(=N)N)OCC(=O)N(C)C.O=S(=O)(C)O,inactive
1285
+ [Cd+2].[Cd+2].[Cd+2].[O-]S(=O)(=O)[O-].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.O.O.O.O.O.O.O.O,inactive
1286
+ NC(=S)NC1=C2C(=CC=C1)C=CC=C2,inactive
1287
+ NC(=O)NCCCC,inactive
1288
+ NC(=S)NNC=O,inactive
1289
+ O=[N+](CCC)[O-],inactive
1290
+ C12C(=CC=CC=1NCCN)C=CC=C2.[H]Cl.[H]Cl,inactive
1291
+ ClCC(=O)C1=CC=C(NC(=O)C)C=C1,inactive
1292
+ NC(=O)C1=CC=CN=C1,inactive
1293
+ NC1=CC=CC=C1,inactive
1294
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1295
+ NC(=S)C(=S)N,inactive
1296
+ CC1=C(C(=CC(=C1)OC(=O)NC)C)N(C)C,inactive
1297
+ O=[N+](CC)[O-],inactive
1298
+ NC1=C(C(=NC(=N1)N)CC)C2=CC=C(C=C2)Cl,inactive
1299
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1300
+ c12[C@H]([C@@H](C(=O)NNCC)[C@@H]([C@H](c1cc3c(c2)OCO3)O)CO)c4cc(c(c(c4)OC)OC)OC,inactive
1301
+ C1C(CC(CC1(OOC(C)(C)C)OOC(C)(C)C)(C)C)C,inactive
1302
+ Nc(c(ccc1)C)c1C,inactive
1303
+ NC(C(=O)O)CCSC,inactive
1304
+ N(N(CC(O)=O)CC(O)=O)=O,inactive
1305
+ NC(CCCN)(C(=O)O)C(F)F,inactive
1306
+ NC(CC1=CNC2=C1C=CC=C2)C(=O)O,inactive
1307
+ O=C([C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)N)OC,inactive
1308
+ NC(=O)C1=C(C=CC=C1)C(=O)N,inactive
1309
+ CN(C)CCN(CC1=CC=CS1)C2=CC=CC=C2,inactive
1310
+ NC(=O)C1=NC=CN=C1,inactive
1311
+ NC(=O)C1=CC=NC=C1,inactive
1312
+ [Ca+2].[N-2]C#N,inactive
1313
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1314
+ N1C2=C(C=CC=C2)SC3=CC=CC=C13,inactive
1315
+ C1(=C(/C=C/C2=C(S(=O)(=O)[O-])C=C(C=C2)N)C=CC(=C1)N)S(=O)(=O)[O-].[Na+].[Na+],inactive
1316
+ NC(=N)NC#N,inactive
1317
+ CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],inactive
1318
+ CS(=O)(=O)OC1=C(C=C(C=C1C(C)(C)C)[N+]([O-])=O)[N+](=O)[O-],inactive
1319
+ CC(C)NCC(O)COc1ccc(cc1)NC(C)=O,inactive
1320
+ CC(=C)C#N,inactive
1321
+ OC1C2=CC(=O)OC2=CCO1,inactive
1322
+ NC(=O)NN=CC1=CC=CO1,inactive
1323
+ CC([N+](=O)[O-])C,inactive
1324
+ C13=C(C=CC=C3)NC2=CN=CC=C12,inactive
1325
+ C13CC(C4C3O4)C2C1C5C(O5)C2,inactive
1326
+ OC(CC(=O)O)(CC(=O)O)C(=O)O,inactive
1327
+ Nc1cc(Cl)c(N)cc1.OS(O)(=O)=O,inactive
1328
+ NC(=O)CCCCC(=O)N,inactive
1329
+ NC1=CC=C(C=C1)/N=N/C2=CC=C(C=C2)N,inactive
1330
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1331
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1332
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1333
+ CC1(C(=C(CCC1)C)C=CC(=CC=CC(=CCOC(=O)CCCCCCCCCCCCCCC)C)C)C,inactive
1334
+ O=C(CCCCCCCC/C=C/C(CCCCCC)=O)OC,inactive
1335
+ C1(=C(C=CC(=C1)NC(N(CC)CC)=O)OCC(CNC(C)(C)C)O)C(C)=O,inactive
1336
+ C1(=CC(=C(C(=C1C)C)O)C)OCCCCCC,inactive
1337
+ OC1=C(C=C(C=C1C(CC)C)[N+](=O)[O-])[N+](=O)[O-],inactive
1338
+ CC=NO,inactive
1339
+ BrC1=C(Br)C(Br)=CC(C2=CC=C(Br)C(Br)=C2Br)=C1,inactive
1340
+ O=C(N(CCCC)CC)SCCC,inactive
1341
+ [O-][N+]1=CC=CC=C1C=C,inactive
1342
+ O=C(O[C@@H]1[C@@](O[C@@H](O[C@H](COC(C)=O)[C@H]2OC(C(C)C)=O)[C@H](OC(C(C)C)=O)[C@H]2OC(C(C)C)=O)(COC(C)=O)O[C@H](COC(C(C)C)=O)[C@H]1OC(C(C)C)=O)C(C)C,inactive
1343
+ CC1=CC=CC(C=C)=C1,inactive
1344
+ C1=CC=CC(=C1)C(C(C2=CC=CC=C2)=O)O,inactive
1345
+ C1(=C(C)C2OC(CCC=2C(=C1OC(=O)C)C)(CCCC(CCCC(CCCC(C)C)C)C)C)C,inactive
1346
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1347
+ C1(=C(C=C(N)C=C1)[N+](=O)[O-])NCCO,inactive
1348
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1349
+ O=C(OCC)C4=C(C=CC=C4)C(C(C=C(C)C(NCC)=C3)=C3O1)=C(C=C2C)C1=C/C2=N/CC.Cl,inactive
1350
+ CC1(C(=O)N(C)C(=O)O1)C,inactive
1351
+ C1(=CC(=C(O)C=C1)O)C(O)=O,inactive
1352
+ C1(=CC(=C2C(=C1)N=CC=C2)Br)Br,inactive
1353
+ O=C1CC(=O)NC(=O)N1,inactive
1354
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1355
+ [Na+].[As](=O)[O-],inactive
1356
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1357
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1358
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1359
+ O=C(C1=CC=CC=C1)CCl,inactive
1360
+ O=C(C1=CC=CC(=C1)C(C(=O)O)C)C2=CC=CC=C2,inactive
1361
+ CC1=CC2=CC=CN=C2C=C1,inactive
1362
+ O=C(CC(/C=C/C2=CC=C(O)C(OC)=C2)=O)/C=C/C1=CC=C(O)C(OC)=C1,inactive
1363
+ O=C(CC(/C=C/C2=CC=C(O)C(OC)=C2)=O)/C=C/C1=CC=C(O)C(OC)=C1,inactive
1364
+ ClC1=CC(Cl)=C(/N=N/C(C(=O)NC2=C(C=C(C3=CC(C)=C(NC(=O)C(/N=N/C4=C(Cl)C=C(Cl)C=C4)C(=O)C)C=C3)C=C2)C)C(=O)C)C=C1,inactive
1365
+ O=C1N(C2=CC=CC=C2)N=C(C1)C,inactive
1366
+ O=C(CC(C3=C2C=CC(F)=C3)=C(C)/C2=C/C1=CC=C(S(=O)(C)=O)C=C1)O,inactive
1367
+ O=C(C3)C(C(O)=CC(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)O4)=C2)=C2O[C@@H]3[C@@]1=CC(OC)=C(OC)C=C1,inactive
1368
+ O=C(C2=CC=CC=C2)S\C(CCOC(C3=CC=CC=C3)=O)=C(C)/N(C=O)CC1=CN=C(C)N=C1N.Cl,inactive
1369
+ C1(=C2C(=CC=C1N)C=CC=C2)S(=O)(O)=O,inactive
1370
+ C(CO)O,inactive
1371
+ C1(=C(C=CC=C1N)N).[H]Cl.[H]Cl,inactive
1372
+ O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC,inactive
1373
+ [O-][N+](C1=CC=CC(C2C(C(OC3CN(C(C5=CC=CC=C5)C4=CC=CC=C4)C3)=O)=C(NC(C)=C2C(OC(C)C)=O)N)=C1)=O,inactive
1374
+ O=C(O)Cc1ccc(cc1)NC(C)=O,inactive
1375
+ O=C(OC)C1=C(C)NC(C)=C(C(OCCC3=CC=C(N4CCN(C(C6=CC=CC=C6)C5=CC=CC=C5)CC4)C=C3)=O)C1C2=CC([N+]([O-])=O)=CC=C2.Cl.Cl,inactive
1376
+ C(C1C=CC(=CC=1)O)(C2=CC=C(C=C2)O)(C)C,inactive
1377
+ CC(C1=C(C=CC(=C1)C)O)(C)C,inactive
1378
+ O=C(O)[C@H](CS)N.Cl,inactive
1379
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1380
+ ClC1=C(C=CC=C1)Cl,inactive
1381
+ ClC1=C(C=CC(=C1)Cl)OCC(=O)O,inactive
1382
+ CC1=C(C(=C(C2=C1OC(CCCC(CCCC(CCCC(C)C)C)C)(C)CC2)C)O)C,inactive
1383
+ O=C(O)\C=C/C(O)=O.O=C(NC3CC(N4C)CCC4C3)C1=C2C(CC(C)(C)O2)=CC(Cl)=C1,inactive
1384
+ O=C(C(C1=CC=C(C=C1)Cl)C(C)C)OC(C2=CC=CC(=C2)OC3=CC=CC=C3)C#N,inactive
1385
+ C/C=C/C1=CC=C(C=C1)OC,inactive
1386
+ O=C/C=C/C1=CC=CC=C1,inactive
1387
+ C1=C(Cl)C=C3C(=C1)N4C(CN=C3C2=CC=CC=C2)=NN=C4,inactive
1388
+ O=C(NC3=CC2=C(C=C3)C1=CC=C(NC(C)=O)C=C1C2)C,inactive
1389
+ ClC1=C(C=CC(=C1)Cl)O,inactive
1390
+ C1=C(C=CC=C1)C2=CC=CC=C2,inactive
1391
+ O=C(O[C@@H]2C[C@@H](CC3)N(C)[C@H]3C2)C(CO)C1=CC=CC=C1,inactive
1392
+ C=CC=O,inactive
1393
+ O=C(O[C@H](CC)C(/C=C(C)/C=C/C4=O)CO[C@H](O[C@H](C)[C@H]2O)[C@H](OC)[C@@H]2OC)C[C@@H](O)[C@H](C)[C@H]([C@@H](CC=O)C[C@H]4C)O[C@H]1[C@H](O)[C@@H](N(C)C)[C@H](O[C@H](O[C@@H](C)[C@@H]3O)C[C@@]3(C)O)[C@@H](C)O1.OC(C)C(O)=O,inactive
1394
+ O=C(O[C@H](CC)[C@](O)(C)[C@H](O)[C@@H](C)C2=O)[C@H](C)[C@@H](O[C@H]3C[C@](OC)(C)[C@@H](O)[C@H](C)O3)[C@H](C)[C@H]([C@@](O)(C)C[C@H]2C)O[C@H]1[C@H](O)[C@@H]([N@H+](C)C)C[C@@H](C)O1.[O-]C(CCCCCCCCCCCCCCCCC)=O,inactive
1395
+ ClC1=C(Cl)N=C(C(O)=O)C(Cl)=C1N,inactive
1396
+ C(C1=CC=C(C=C1)O)(=O)OCCCC,inactive
1397
+ ClC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=CC=C2,inactive
1398
+ O=C(N[C@@H]([C@H](OC([C@@H]5[C@@H](C)C)=O)C)C(N[C@H]([C@@H](C)CC)C(N4CCC[C@@](C(N(C)CC(N5C)=O)=O)4[H])=O)=O)C(C(C(OC2=C(C)C=C3)=C(C)C1=O)=NC2=C3C(N[C@@H]([C@H](OC([C@@H]7[C@H](C)C)=O)C)C(N[C@H](C(C)C)C(N6CCC[C@@](C(N(C)CC(N7C)=O)=O)6[H])=O)=O)=O)=C1N,inactive
1399
+ O=C(N)NC(C(CC)CC)=O,inactive
1400
+ C1([C@H](CNC)O)(=CC(=CC=C1)O).[H]Cl,inactive
1401
+ ClC1=C(OC(C)C(O)=O)C=CC(Cl)=C1,inactive
1402
+ C1(=C2/C(C3=CC(S(=O)(=O)[O-])=CC=C3N2)=O)/C(C4=CC(S(=O)(=O)[O-])=CC=C4N1)=O.[Na+].[Na+],inactive
1403
+ ClC1=C(Cl)C=CC([C@H]2C3=C(C=CC=C3)[C@@H](NC)CC2)=C1.Cl,inactive
1404
+ CC1(C2=CC=CC=C2)C(O1)C(=O)OCC,inactive
1405
+ C1=CC=C(C(OC)C(=O)O)C=C1,inactive
1406
+ ClC1=C(C=CC(=C1)N)C,inactive
1407
+ ClC1=C(C=CC(=C1)NC(=O)N(C)C)Cl,inactive
1408
+ CC(=O)[C@]2(CC[C@H]3[C@@H]4/C=C(/Cl)\C1=C\C(=O)CC[C@]1(C)[C@H]4CC[C@]23C)OC(C)=O,inactive
1409
+ C=CCCl,inactive
1410
+ O=C(NCCCN(CC)CC)CN1N=CC(C3=CC=CC=C3)=C1C2=CC=CC=C2.O=C(O)/C([H])=C([H])/C(O)=O,inactive
1411
+ C1COS(O1)(=O)=O,inactive
1412
+ O=C(NC)OC1=CC=CC(C2)=C1OC2(C)C,inactive
1413
+ N(C)(C)C([S-])=S.[Fe+3].[S-]C(=S)N(C)C.[S-]C(=S)N(C)C,inactive
1414
+ C1(C2=CC=CC=C2)=CC(=C(C=C1)N)O,inactive
1415
+ [O-][N+](C1=CC([N+]([O-])=O)=CC([N+]([O-])=O)=C1)=O,inactive
1416
+ O=C(NC1=CC=CC(=C1)C(F)(F)F)N(C)C,inactive
1417
+ C1(C(NCC2CCCCN2)=O)=C(C=CC(=C1)OCC(F)(F)F)OCC(F)(F)F.CC(=O)O,inactive
1418
+ C1(C(OCC(C)C)=O)=CC=C(O)C=C1,inactive
1419
+ C12=C(C(=O)NS1(=O)=O)C=CC=C2,inactive
1420
+ [O-][N+](=O)C1=C(Cl)C(=C(Cl)C(=C1)[N+]([O-])=O)Cl,inactive
1421
+ CCCCCN(N=O)C(=N)N[N+]([O-])=O,inactive
1422
+ O=[N+](C1=CC(=C(C(=C1)Cl)N)Cl)[O-],inactive
1423
+ C1(C[C@H]([C@@H]([C@H]1CCCCCCC(=O)OC)/C=C/CC(O)(CCCC)C)O)=O,inactive
1424
+ C1(C=CC=CN=1)CCl.Cl,inactive
1425
+ OC(=O)C=CC=CC,inactive
1426
+ C1(C)(C)C(=O)NC(=O)NC1=O,inactive
1427
+ .[Na+].[Cl-],inactive
1428
+ O=[N+]([O-])[O-].[Na+],inactive
1429
+ O=CC1CO1,inactive
1430
+ O=[N+](C1=CC=C(C=C1)N)[O-],inactive
1431
+ O=C(C(O)(C2=CC=CC=C2)C1CCCCC1)OC(C)(C)C#CCN(CC)CC.O.Cl,inactive
1432
+ CNC1=NC=NC2=C1N=CN2,inactive
1433
+ C(O)(=O)[O-].[Na+],inactive
1434
+ C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO,inactive
1435
+ O=[N+](C1=CC(=C(C=C1)N)N)[O-],inactive
1436
+ C1(C(=CC=C(C=1)NC(C(C)=C)=O)Cl)Cl,inactive
1437
+ C1(=C(C=CC(=C1)CCNC)OC(C(C)C)=O)OC(C(C)C)=O.[H]Cl,inactive
1438
+ OC2=C1[C@@](C=C(C)CC3)([H])[C@]3([H])C(C)(C)OC1=CC(CCCCC)=C2,inactive
1439
+ [O-][N+](=O)C1=CC=CC(=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)/N=N/C4=CC(=CC=C4OC)[N+]([O-])=O,inactive
1440
+ O[C@H]([C@H](O)CNCCCl)[C@H](O)[C@H](O)CNCCCl,inactive
1441
+ C12=CC(=CC(=C1C3=C(C(O2)=O)C(CC3)=O)OC)OC,inactive
1442
+ O=[C@](O[C@H](O[C@H](CO)[C@H]1O)[C@H](O)[C@H]1O)[C@@]5(C)[C@](CC3)([H])[C@](CCC5)(C)[C@@](CC4)([H])[C@@](C2)3C[C@]4(O[C@H]6[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O7)[C@@H](O)[C@H](O)[C@@H](CO)O6)[C@@]2=C,inactive
1443
+ O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O,inactive
1444
+ O[C@H]1[C@@H](NC(CO)CO)C[C@](O)(CO)[C@@H](O)[C@@H]1O,inactive
1445
+ O[C@@H]8[C@@H](O)[C@@H]1O[C@H](CO)[C@H]8O[C@H]7O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O1)[C@H](O)[C@H]2O)[C@H](O)[C@H]3O)[C@H](O)[C@H]4O)[C@H](O)[C@H]5O)[C,inactive
1446
+ C1(CCCCC1)N.[H]Cl,inactive
1447
+ CCCCC/C=C\C/C=C\CCCCCCCC(OC)=O,inactive
1448
+ O=C(NC1=CC=CC=C1)OC(C)C,inactive
1449
+ C1(C2=CC=CC=C2)=CC(=C(C=C1)NC(=O)C)O,inactive
1450
+ O[C@H]([C@@H]2O)[C@@H](O[C@@H]2CO)N(N=CC(N)=N1)C1=O,inactive
1451
+ O=[C@]([C@@H]1C[C@@H](O)CN1N=O)O,inactive
1452
+ O=[Bi]Cl,inactive
1453
+ O=[Cr]O[Cr]=O,inactive
1454
+ O=C(C1=CC(=C(C(=C1)O)O)O)OCCC,inactive
1455
+ NC1=C(C)C=C(N)C=C1.O=S(O)(O)=O,inactive
1456
+ O[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,inactive
1457
+ CC(OC1=CC=C(C=C1)NC2=CC=CC=C2)C,inactive
1458
+ O[C@H]1[C@H](OC[C@H]2O[C@@H](OC(/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)O3)=O)=O)[C@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,inactive
1459
+ O=NN(CCC1)C(C1)C(=O)O,inactive
1460
+ CC(C)(C)c1cc(O)ccc1O,inactive
1461
+ O\C1=C(/OCC(=O)CCCCCCCCCCCC)[C@H](OC1=O)[C@@H](O)CO,inactive
1462
+ ClC1=NC(=NC(=N1)NC(C)C)NC(C)C,inactive
1463
+ CN(N=O)C1=CC=C(C=C1)[N+]([O-])=O,inactive
1464
+ O=C(C=C)C1=CC=C2C(OCO2)=C1,inactive
1465
+ S(=O)(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2,inactive
1466
+ O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC,inactive
1467
+ O=C(OC)C1=C(C)NC(C)=C(C(OCC(C)(C)CN(CC3=CC=CC=C3)C)=O)C1C2=CC([N+]([O-])=O)=CC=C2F.Cl,inactive
1468
+ ClC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],inactive
1469
+ O=C1C[C@H](C\C=C1\C)C(C)=C,inactive
1470
+ O=C(C(CCC([O-])=O)N)O.[Na+],inactive
1471
+ O=C(C(C1=CC=CC=C1)CC)NC(=O)N,inactive
1472
+ O=C(C(C1=CC=CC=C1)(C2=CC=CC=C2)CC(N(C)C)C)CC.[H]Cl,inactive
1473
+ CCCC[Sn](O[Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC,inactive
1474
+ ClC1=CC=CC=C1C=C(C#N)C#N,inactive
1475
+ C1(=CC(=CC=C1N)N).[H]Cl.[H]Cl,inactive
1476
+ C1(=CC(=CC=C1N)OC)OC.[H]Cl,inactive
1477
+ Clc3cc(Cl)cnc3Oc1ccc(cc1)Oc2ncc(Cl)cc2Cl,inactive
1478
+ C1(=CC=C(N)C=C1)OC.[H]Cl,inactive
1479
+ N(N(CC(F)(F)F)CC(F)(F)F)=O,inactive
1480
+ C1(=CC=C2C(=C1)N(C(\N=C/2C3=CC=CC=C3)=O)C(C)C)C,inactive
1481
+ O=C(C)OC/C=C(C)/CC/C=C(C)/C,inactive
1482
+ O=C(O)CC[C@H](N)C(O)=O,inactive
1483
+ N=C(N)NC,inactive
1484
+ O=[Nb](=O)[O-].[Na+],inactive
1485
+ C1(=N\CCN/1)C(C)OC2C(=CC=CC=2Cl)Cl.[H]Cl,inactive
1486
+ O=P(OC2=CC=C(C)C=C2)(OC3=CC=C(C)C=C3)OC1=CC=C(C)C=C1,inactive
1487
+ O=[W](=O)([O-])[O-].[Na+].[Na+],inactive
1488
+ O=[Ti]=O,inactive
1489
+ OC1=C(C=C(C=C1SC2=C(C(=CC(=C2)Cl)Cl)O)Cl)Cl,inactive
1490
+ CC#N,inactive
1491
+ C(CCCCCCCC)CCCNC(N)=N.CC(=O)O,inactive
1492
+ [Se],inactive
1493
+ C12=C(C=CC(=C1)C(CNC(C)C)O)C=CC=C2.[H]Cl,inactive
1494
+ ClC1=NC(=NC(=N1)NCC)NCC,inactive
1495
+ O=C(/C=C\C(=O)OCC)OCC,inactive
1496
+ O=C(/C=C/C6=CC=C(O)C(OC)=C6)O[C@@H]4C(C)(C)[C@@]5([H])[C@]1(CC4)[C@]3([C@](CC5)([H])[C@]2(C)CC[C@@]([C@H](C)CC/C=C(C)\C)([H])[C@](C)2CC3)C1,inactive
1497
+ O=C(C(C)=C2C)C(C(CCCCCC(O)=O)C1=CC=CC=C1)=C(C)C2=O,inactive
1498
+ CC=CC1=CC=C(C=C1)OC,inactive
1499
+ CC1=CC=CC=C1OCC(O)CNCCN2/C=C(/C)C(=O)NC2=O.[H]Cl,inactive
1500
+ O=C([C@H](CO)[C@]2=CC=CC=C2)O[C@@H]1C[C@H](N4C)[C@@H](O3)[C@@H]3[C@@H]4C1.Br.O.O.O,inactive
1501
+ O=CC(\Cl)=C(\Cl)C(O)=O,inactive
1502
+ O=C([C@](C(C=C4OC)=C(C=C4OC)OC3)([H])[C@]3([H])O2)C(C=C5)=C2C1=C5O[C@@H]([C@@](C)=C)C1,inactive
1503
+ OC(=O)C1=CC=C(C=C1)NN,inactive
1504
+ CC=C,inactive
1505
+ CC1(C(=O)NC(=O)O1)C,inactive