lazar 0.9.3 → 1.0.0

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (88) hide show
  1. checksums.yaml +4 -4
  2. data/.gitignore +1 -4
  3. data/README.md +5 -15
  4. data/VERSION +1 -1
  5. data/ext/lazar/extconf.rb +1 -1
  6. data/ext/lazar/rinstall.R +9 -7
  7. data/java/CdkDescriptorInfo.class +0 -0
  8. data/java/CdkDescriptorInfo.java +3 -2
  9. data/java/CdkDescriptors.class +0 -0
  10. data/java/CdkDescriptors.java +28 -28
  11. data/java/Rakefile +3 -3
  12. data/java/{cdk-1.4.19.jar → cdk-2.0-SNAPSHOT.jar} +0 -0
  13. data/lazar.gemspec +6 -7
  14. data/lib/algorithm.rb +2 -11
  15. data/lib/caret.rb +96 -0
  16. data/lib/classification.rb +14 -22
  17. data/lib/compound.rb +21 -87
  18. data/lib/crossvalidation.rb +80 -279
  19. data/lib/dataset.rb +105 -174
  20. data/lib/feature.rb +11 -18
  21. data/lib/feature_selection.rb +42 -0
  22. data/lib/import.rb +122 -0
  23. data/lib/lazar.rb +14 -4
  24. data/lib/leave-one-out-validation.rb +46 -192
  25. data/lib/model.rb +319 -128
  26. data/lib/nanoparticle.rb +98 -0
  27. data/lib/opentox.rb +7 -4
  28. data/lib/overwrite.rb +24 -3
  29. data/lib/physchem.rb +11 -10
  30. data/lib/regression.rb +7 -137
  31. data/lib/rest-client-wrapper.rb +0 -6
  32. data/lib/similarity.rb +65 -0
  33. data/lib/substance.rb +8 -0
  34. data/lib/train-test-validation.rb +69 -0
  35. data/lib/validation-statistics.rb +223 -0
  36. data/lib/validation.rb +17 -100
  37. data/scripts/mg2mmol.rb +17 -0
  38. data/scripts/mirror-enm2test.rb +4 -0
  39. data/scripts/mmol2-log10.rb +32 -0
  40. data/test/compound.rb +4 -94
  41. data/test/data/EPAFHM.medi_log10.csv +92 -0
  42. data/test/data/EPAFHM.mini_log10.csv +16 -0
  43. data/test/data/EPAFHM_log10.csv +581 -0
  44. data/test/data/loael_log10.csv +568 -0
  45. data/test/dataset.rb +195 -133
  46. data/test/descriptor.rb +27 -18
  47. data/test/error.rb +2 -2
  48. data/test/experiment.rb +4 -4
  49. data/test/feature.rb +2 -3
  50. data/test/gridfs.rb +10 -0
  51. data/test/model-classification.rb +106 -0
  52. data/test/model-nanoparticle.rb +128 -0
  53. data/test/model-regression.rb +171 -0
  54. data/test/model-validation.rb +19 -0
  55. data/test/nanomaterial-model-validation.rb +55 -0
  56. data/test/setup.rb +8 -4
  57. data/test/validation-classification.rb +67 -0
  58. data/test/validation-nanoparticle.rb +133 -0
  59. data/test/validation-regression.rb +92 -0
  60. metadata +50 -121
  61. data/test/classification.rb +0 -41
  62. data/test/data/CPDBAS_v5c_1547_29Apr2008part.sdf +0 -13553
  63. data/test/data/CPDBAS_v5d_cleaned/CPDBAS_v5d_20Nov2008_mouse_TD50.csv +0 -436
  64. data/test/data/CPDBAS_v5d_cleaned/CPDBAS_v5d_20Nov2008_rat_TD50.csv +0 -568
  65. data/test/data/CPDBAS_v5d_cleaned/DSSTox_Carcinogenic_Potency_DBS_Hamster.csv +0 -87
  66. data/test/data/CPDBAS_v5d_cleaned/DSSTox_Carcinogenic_Potency_DBS_Mouse.csv +0 -978
  67. data/test/data/CPDBAS_v5d_cleaned/DSSTox_Carcinogenic_Potency_DBS_MultiCellCall.csv +0 -1120
  68. data/test/data/CPDBAS_v5d_cleaned/DSSTox_Carcinogenic_Potency_DBS_MultiCellCall_no_duplicates.csv +0 -1113
  69. data/test/data/CPDBAS_v5d_cleaned/DSSTox_Carcinogenic_Potency_DBS_Mutagenicity.csv +0 -850
  70. data/test/data/CPDBAS_v5d_cleaned/DSSTox_Carcinogenic_Potency_DBS_Mutagenicity_no_duplicates.csv +0 -829
  71. data/test/data/CPDBAS_v5d_cleaned/DSSTox_Carcinogenic_Potency_DBS_Rat.csv +0 -1198
  72. data/test/data/CPDBAS_v5d_cleaned/DSSTox_Carcinogenic_Potency_DBS_SingleCellCall.csv +0 -1505
  73. data/test/data/EPA_v4b_Fathead_Minnow_Acute_Toxicity_LC50_mmol.csv +0 -581
  74. data/test/data/FDA_v3b_Maximum_Recommended_Daily_Dose_mmol.csv +0 -1217
  75. data/test/data/LOAEL_log_mg_corrected_smiles.csv +0 -568
  76. data/test/data/LOAEL_log_mmol_corrected_smiles.csv +0 -568
  77. data/test/data/boiling_points.ext.sdf +0 -11460
  78. data/test/data/cpdb_100.csv +0 -101
  79. data/test/data/hamster_carcinogenicity.ntriples +0 -618
  80. data/test/data/hamster_carcinogenicity.sdf +0 -2805
  81. data/test/data/hamster_carcinogenicity.xls +0 -0
  82. data/test/data/hamster_carcinogenicity.yaml +0 -352
  83. data/test/dataset-long.rb +0 -114
  84. data/test/lazar-long.rb +0 -92
  85. data/test/lazar-physchem-short.rb +0 -31
  86. data/test/prediction_models.rb +0 -20
  87. data/test/regression.rb +0 -43
  88. data/test/validation.rb +0 -108
@@ -1,1505 +0,0 @@
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
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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
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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
- O=[N+](OC(CO[N+](=O)[O-])CO[N+](=O)[O-])[O-],active
445
- O=C(C(F)(F)F)NC1=CC3=C(C2=CC=CC=C2C3)C=C1,active
446
- O=C(C)CN(N=O)CCO,active
447
- O=C(C(C)(OC1=CC=C(C=C1)C2=CC=C(C=C2)Cl)C)OC,active
448
- CN(N)C=O,active
449
- O=[N+](C1=CC(=C(C=C1)C)N)[O-],active
450
- O=[N+](C1=CC(=C(C=C1)N)O)[O-],active
451
- O=[N+](C1=C(C(=CC(=C1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-],active
452
- C1=COC2=C1C=CC=C2,active
453
- N(N1CCCCC1C2=CC=CN=C2)=O,active
454
- O=[N+](C1=CC2=C(C=C1)NC=N2)[O-],active
455
- C=CCN=C=S,active
456
- O=[N+](C1=CC=CC=C1)[O-],active
457
- O=C(N(CC)N=O)OCC,active
458
- O=C1C2=CC3=C(C=C2N(C=C1C(=O)O)CC)OCO3,active
459
- O=C1C23C4C5C6(C(=O)C7=C(O)C(C)=CC(=C7C(C6=C(C2C5O)O)=O)O)C(C4O)C(=C3C(=O)C8=C1C(O)=C(C)C=C8O)O,active
460
- O=C1C2=C(C3=C(C=C2OC)OC4C3C=CO4)OC5=C1C(=CC(=C5OC)OC)O,active
461
- O=C1C2=C(N=C(C=C2)C)N(C=C1C(=O)O)CC,active
462
- O=C1N(C(=O)C2=C1C=CC=C2)SC(Cl)(Cl)Cl,active
463
- O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl,active
464
- O=C1[C@H](OC(\C(C[C@@]([H])(C)[C@](C)2O)=C/C)=O)CCN(C)C/C=C1/COC2=O,active
465
- CC1=CC(C4=CC(C)=C(/N=N/C5=CC=C(OS(=O)(C6=CC=C(C)C=C6)=O)C=C5)C=C4)=CC=C1/N=N/C2=C(O)C=CC3=CC(S(=O)([O-])=O)=CC(S(=O)([O-])=O)=C23.[Na+].[Na+],active
466
- O=C1C2=C(C(=CC=C2C(=O)C3=C1C=CC=C3)C)N,active
467
- O=C1C2=C(C(=CC=C2N)N)C(=O)C3=C(C=CC(=C13)N)N,active
468
- O=C1C2=C(C(=CC(=C2C(=O)C3=C1C=CC=C3)Br)Br)N,active
469
- ClC2=C(C=CC(Cl)=C2Cl)C1=C(Cl)C(Cl)=CC=C1,active
470
- NC1=CC=C(C=C1)OC2=CC=C(C=C2)Cl,active
471
- C1CCCO1,active
472
- N1(C2=CC=CC=C2)C(C(N(CS(=O)(=O)[O-])C)=C(N1C)C)=O.[Na+],active
473
- O=C1C2=C(C=C3C(=C2OC4=CC=CC(=C14)O)C5C(O3)OC=C5)OC,active
474
- O=C1OC(O)C(C(Cl)Cl)=C1Cl,active
475
- O=C1OC2=C(C=CC=C2)C=C1,active
476
- OC1=C(C=C(C=C1)CNC(=O)CCCC/C=C/C(C)C)OC,active
477
- O=C1OC(C2=C1C=CC=C2)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O,active
478
- O=C2C1=C(OC)C=C(OC)C(Cl)=C1O[C@]32C(OC)=CC(C[C@@](C)3[H])=O,active
479
- O=C2c1ccccc1C(=O)c3c2c(O)cc(O)c3O,active
480
- C1=C(C(=CC(=C1N)C)C)C.[H]Cl,active
481
- O=C2C(CO)NC(=O)CC(NC(=O)C(CO)NC(=O)C(NC(=O)C1C(Cl)C(Cl)CN12)CC)c3ccccc3,active
482
- O=C(C1=CC=CN=C1)CCCN(N=O)C,active
483
- O=C1N(CCC1)C,active
484
- O=C1N(C=C)CCC1,active
485
- O=C1N(C2=CC=CC=C2)N(C3=CC=CC=C3)C(=O)C1CCCC,active
486
- O=C1NC(=S)NC=C1,active
487
- O=C1O[C@@H]3CCN2C\C=C(\COC(=O)[C@](C)(O)[C@](C)(O)[C@H]1C)[C@@H]23,active
488
- O=C1N2CC3=CC=CC=C3C(=O)N2CC4C=CC=CC1=4,active
489
- C(C1C=CC=CC=1)(=O)N(N=O)C,active
490
- O=C(NC2=C1C=C(C3=NNC(CC3)=O)C=C2)C1(C)C,active
491
- O=C(OC)C1=CCCN(C)C1.[H]Cl,active
492
- O=C(NC1=CC=C(C=C1)OCC)CC(C)O,active
493
- O=C(NC2=C(Cl)C=NC=C2Cl)C1=CC(OC3CCCC3)=C(OC)C=C1,active
494
- CN(C)C2=CC=C(C=C2)CC1=CC=C(N(C)C)C=C1,active
495
- CC=NN(C)C=O,active
496
- O=C(NCO)C=C,active
497
- OC1=C(C=CC=C1)C2=CC=CC=C2,active
498
- O=C(N(CCCCCC)N=O)N,active
499
- O=C(N(CCCO)N=O)N,active
500
- O=C(N(CCCC)N=O)N,active
501
- S=P(N1CC1)(N1CC1)N1CC1,active
502
- O=NN(CCN1N=O)CCC1,active
503
- O=C(N)C1=C(N=CN1)/N=N/N(C)C,active
504
- NC2=NC(C3=CC=CC=C3)=C(CCOCC)C1=NC=NN12,active
505
- O=C(N(CCO)N=O)NCC,active
506
- O=C1C(C2=C(C(O)=C3C)C(O)=C(NC(\C(C)=C/C=C/[C@@H]5C)=O)C(/C=N/N4CCN(C)CC4)=C2O)=C3O[C@@](C)1O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H]5O,active
507
- O=C1C(C2=CC=CC=C2)(C(=O)NC(=O)N1)CC,active
508
- O=C1[N-]S(=O)(=O)C2=CC=CC=C12.[Na+],active
509
- O=C1C(=CNC(=O)N1)F,active
510
- O=[O+1][O-1],active
511
- O=C1C=CC(=O)C=C1,active
512
- O=C1N(CC(=O)N1)/N=C/C2=CC=C(O2)[N+](=O)[O-],active
513
- O=C1C(O)=COC(CO)=C1,active
514
- O=C(O2)C([C@@H](CC3)O)=C3C1=C2C4=C(O[C@@]5([H])[C@]([H])4C=CO5)C=C1OC,active
515
- [Al+3].[O-]P(=O)OCC.[O-]P(=O)OCC.[O-]P(=O)OCC,active
516
- O=[N+](C1=CC(=C(C=C1)O)N)[O-],active
517
- ClCC1CO1,active
518
- CCCCCNN.[H]Cl,active
519
- O=C(CC(C)C)OCC=C,active
520
- O=C(OCC)C=C,active
521
- O=C/C=C/C,active
522
- CC(=O)OCC(=O)[C@@]53/N=C(/C)O[C@@H]5C[C@H]2[C@@H]4CC\C1=C\C(=O)\C=C/[C@]1(C)[C@H]4[C@@H](O)C[C@@]23C,active
523
- O=NN1CCCCC1,active
524
- C1(N(C(C)=NC=1)C)[N+](=O)[O-],active
525
- O=C1C2=C(C=C(C=C2O)O)OC(=C1O)C3=CC(=C(C=C3)O)O,active
526
- NC1=NC(C3=C(N=CC=C3)C=C2)=C2N1C.[H]Cl,active
527
- O=C2CC3=C(CC2)[C@]1([H])[C@](CC3)([H])[C@@](CC4)([H])[C@]([C@]4(O)C#C)(C)CC1,active
528
- C1(NC(CN1/N=C/C2=CC=C(O2)[N+](=O)[O-])C)=O,active
529
- C1(CN(CC(N1N=O)C)N=O)C,active
530
- C1(=CC(=CC(=C1N)C)C)C.[H]Cl,active
531
- CCO,active
532
- C1(C(=CC=C(C=1)N)O)N.[H]Cl.[H]Cl,active
533
- C1(C2=CC=CC=C2)(C(NC(=NC1=O)[O-])=O)CC.[Na+],active
534
- C1(C2=CC=C(C=C2)N)=CC=C(C=C1)N.[H]Cl.[H]Cl,active
535
- CC(OC)(C)C,active
536
- NC1=C2C(=CC=C1)C(=CC=C2)N,active
537
- C1=CC(=CC=C1COCCl)COCCl,active
538
- C1=CC(=CC(=C1OCC)[N+]([O-])=O)NC(=O)C,active
539
- O=C(N(CCF)N=O)N,active
540
- C1=CC=C(C(O)C)C=C1,active
541
- C1=CC(=CC=C1N(N=O)C)F,active
542
- C1=C2C=CC3=CC=CC=C3C2=CC4=CC=C5C(=C14)C=CC=C5,active
543
- C1=C(C=CC=C1N)C.[H]Cl,active
544
- O=C(O[C@@H]5CC([C@@](CC5)(C)[C@]([H])3CC4)=CC[C@@]3([H])[C@@]2([H])[C@@]4(C)[C@]([C@H](C)CCCC(C)C)([H])CC2)CC1=CC=C(N(CCCl)CCCl)C=C1,active
545
- NC1=C(C=C(C=C1Cl)Cl)Cl,active
546
- C1=C2C(=CC=C1)C=CC=C2,active
547
- C1=C(CO)OC=C1,active
548
- CC1=NC=CN1,active
549
- O=[N+](C1=CC=C(C=C1)Cl)[O-],active
550
- C1=CC=CC=C1C(COC(N)=O)COC(N)=O,active
551
- CC1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-],active
552
- C1(=C(C=CC(=C1)N(CCO)CCO)NC)[N+]([O-])=O,active
553
- C1(=C(C=CC(=C1)N(CCO)CCO)NC)[N+]([O-])=O,active
554
- C1(=C(C=CC(=C1)Cl)N)C.[H]Cl,active
555
- C1(=C(C(=C(C(=C1N)F)N)F)F)F.[H]Cl.[H]Cl,active
556
- ClC(CC(Cl)C(Cl)CCC(Cl)CC)C(Cl)C(Cl)CCl,active
557
- C=CCOCC1CO1,active
558
- N=C(N(CCC)N=O)N[N+](=O)[O-],active
559
- C1C(C2=CC=CC=C2)O1,active
560
- C1(/C=C(\C=C/C1=O)CCN)=[N+]=[N-].[H]Cl,active
561
- OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl,active
562
- ClC(Cl)Cl,active
563
- CC(=O)NC1=NN=C(S1)C2=CC=C(O2)[N+]([O-])=O,active
564
- C1(=CC=C(NN)C=C1)C(O)=O.[H]Cl,active
565
- C1(C(=CC=C(C=1)C)C)N.[H]Cl,active
566
- C1(=NC(=NC(=N1)NC(C)=O)C2=CC=C(O2)[N+](=O)[O-])NC(C)=O,active
567
- C1(=CC=CC=C1)CNN.[H]Cl.[H]Cl,active
568
- C1(=CC=C(Cl)C=C1)N.[H]Cl,active
569
- C1(/N=N/C2=CC=CC=C2)=CC=CC=C1,active
570
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571
- C1(=C(C=CC=C1)C(OCCCC)=O)C(OCC2=CC=CC=C2)=O,active
572
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573
- C1(=CC=C(C=C1)O)NC(C)=O,active
574
- O=C1C2=C(C=CC=C2C(=O)C3=C1C=CC=C3)O,active
575
- C1N(C(OC1)=O)N=O,active
576
- ClC1=C(C=CC=C1)[N+](=O)[O-],active
577
- O=NN1CCCCCC1,active
578
- C2C(=O)NC(=O)CN2CC(C)N1CC(=O)NC(=O)C1,active
579
- C2(=O)C(C1=CC=CC=C1)(CC)C(=O)NCN2,active
580
- O=NN1CCC1,active
581
- C1CN1,active
582
- C1CCC[C@H](N1N=O)C,active
583
- O=C(CCC(=O)O)NN(C)C,active
584
- O=C(OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC)CCCCCCC,active
585
- C1CCN(CN1N=O)N=O,active
586
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587
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588
- CC(=O)NC1=CC=C(C=C1)C2=CC=CC=C2,active
589
- CC(=O)N(O)C1=CC2=C(C=C1)C3=CC=CC=C3C2,active
590
- CC(=O)N(CC)CC,active
591
- Br(=O)(=O)[O-].[K+],active
592
- C1(CN(N=O)CC(O1)C)C,active
593
- CC(=O)NC1=CC=C(C=C1)OCC,active
594
- CC(=O)N,active
595
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596
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597
- C3=CC=CC(NS(=O)(=O)C2=CC=C(N=NC1=CC=C(O)C(C(O)=O)=C1)C=C2)=N3,active
598
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599
- CC(=C)CCl,active
600
- CC(=C)CCl,active
601
- O=NN(C)C1=NC=NC2=C1N=CN2,active
602
- C1=CC=CC=C1,active
603
- C1=CC=CC(=N1)N(N=O)C,active
604
- C12(C(=CC(=CC=1S(=O)(=O)[O-])S(=O)(=O)[O-])C=CC(=C2/N=N/C3=C4C(=C(C=C3)S(=O)(=O)[O-])C=CC=C4)O).[Na+].[Na+].[Na+],active
605
- C12(C(=CC(=C(C=1/N=N/C3=C(C=C(C=C3)C)C)O)S(=O)(=O)[O-])C=C(C=C2)S(=O)(=O)[O-]).[Na+].[Na+],active
606
- C1=CC2=CC=CC3=CC=C4C(=C23)C1=C5C(=C4)C=CC=C5,active
607
- C1=CC=CC(=C1)CCN(C)N=O,active
608
- C1=CC=C2C(=C1)N(C(\C=C/2C)(C)C)N=O,active
609
- OC(C=C)C1=CC=C2OCOC2=C1,active
610
- C1N(COC1)N=O,active
611
- O=C(N(CCCC)N=O)NCCCC,active
612
- C1=CC=C2C(=C1)NC(NC2=O)C3=CC=C(S3)[N+]([O-])=O,active
613
- C1=CC=C2C(=C1)N=C(N=C2N3CCOCC3)C4=CC=C(S4)[N+]([O-])=O,active
614
- C12C3=C(C=CC=C3)NC1=CC=CC=2,active
615
- C12C3=C(C=CC=C3)CC1=CC(=CC=2)NC(C)=O,active
616
- C12C(OC3=C(N=1)C(=CC=C3C)C(N[C@@H]4C(N[C@@H](C(N5[C@@H](CCC5)C(N(CC(N([C@H](C(O[C@H]4C)=O)C(C)C)C)=O)C)=O)=O)C(C)C)=O)=O)=C(C(C(=C2C(N[C@@H]6C(N[C@@H](C(N7[C@@H](CCC7)C(N(CC(N([C@H](C(O[C@H]6C)=O)C(C)C)C)=O)C)=O)=O)C(C)C)=O)=O)N)=O)C,active
617
- C1C(OC(O1)C(C)I)CO,active
618
- C1C(N(C(CN1N=O)C)C)C,active
619
- N(N(CCCO)C)=O,active
620
- ClC1=CC(C2=CC(Cl)=CC(Cl)=C2)=CC=C1,active
621
- C12=C3C(C4=C(C(O3)=O)C(=O)CC4)=C(C=C1OC5C2C=CO5)OC,active
622
- [Na+].[O-]C1=C(C=CC=C1)C2=CC=CC=C2,active
623
- O=[N+](C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])[O-],active
624
- C12C(=CC(=C(C=1O)/N=N/C3=C(C=C(C=C3)C4=CC(=C(C=C4)/N=N/C5=C(C=C6C(=C5O)C(=CC(=C6)S(=O)(=O)[O-])N)S(=O)(=O)[O-])OC)OC)S(=O)(=O)[O-])C=C(C=C2N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],active
625
- CCC(CC)[N+]([O-])=O,active
626
- ClC2(C(Cl)3Cl)C(Cl)=C(Cl)C3(Cl)C1CC(Cl)C(Cl)C12,active
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
- [O-][N+](C1=CC=C(C2=CSC(NC(C)=O)=N2)O1)=O,active
633
- [O-][N+](C1=CC=C(C2=CSC(NC(C(F)(F)F)=O)=N2)O1)=O,active
634
- [O-][N+](C)=O,active
635
- ClC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl,active
636
- [O-][N+](=O)C1=CC=C(O1)C2=CSC(=N2)NNC=O,active
637
- [O-][N+](=O)C1=CC=C(O1)C2=CSC(=N2)NC=O,active
638
- C1(=CC=CN=C1)CCl.[H]Cl,active
639
- [O-][N+](=O)N(C)C,active
640
- CNN,active
641
- [O-]C12[C@@H](CC[N+](C)1CC=C2COC([C@](OC(C)=O)(C)[C@@H](C)\C=C3C=C)=O)OC/3=O,active
642
- C(COCCl)OCCl,active
643
- CC(=O)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
644
- [Se]=S,active
645
- [S-]C(N(CC)CC)=S.[S-]C(N(CC)CC)=S.[S-]C(N(CC)CC)=S.[S-]C(N(CC)CC)=S.[Se+4],active
646
- C1(N=CNN=1)N,active
647
- COC1=CC(=C(C=C1)N)C,active
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
- ClCCN(C(COC2=CC=CC=C2)C)CC1=CC=CC=C1.Cl,active
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
- N(CC(CO)O)(CC(O)C)N=O,active
656
- [Cl-].[Cd+2].[Cl-],active
657
- [Hg+2].[Cl-].[Cl-],active
658
- O=CC1=CC=CO1,active
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
- C1(C)=CSC(=N1)NNC=O,active
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
- CN1CCN(CC1)/C2=N/C3=CC=CC=C3SC4C=CC(C)=CC2=4,inactive
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
- CN(C)CCN(CC1=CC=CO1)C2=CC=CC=N2,inactive
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
- CC(C)CN(N=O)C(=N)N[N+]([O-])=O,inactive
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
- CN1C2=C(C=C(C=C2)Cl)C(=NCC1=O)C3=CC=CC=C3,inactive
1331
- ClC1=CC(=C(C=C1C2=C(C=C(C(=C2)Cl)N)Cl)Cl)N,inactive
1332
- C1(=C(C=CC(=C1)[C@H](CN[C@@H](CCC2=CC=CC=C2)C)O)O)C(N)=O.[H]Cl,inactive
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
- O=C(C1=CC=C(C=C1)N)NC2=CC=C(C=C2)N,inactive
1347
- C1(=C(C=C(N)C=C1)[N+](=O)[O-])NCCO,inactive
1348
- C2=C(N)C=CC(S(=O)(=O)NC1ON=C(C)C=1C)=C2,inactive
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
- OCC(=O)[C@@]4(O)[C@H](C)C[C@@H]1[C@]4(C)C[C@H](O)[C@]2(F)[C@@]3(C)/C=C\C(=O)/C=C3/CC[C@@H]12,inactive
1355
- [Na+].[As](=O)[O-],inactive
1356
- C1(=CC(=CC=C1[O-])[N+](=O)[O-])[N+](=O)[O-].[Na+],inactive
1357
- O=C(C1=CC=C(C=C1)C(=O)OC)OC,inactive
1358
- O=C(C1=CC(=CC=C1O)/N=N/C2=CC=C(C=C2)C(=O)O)O,inactive
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
- ClC(C(C1=C(C=CC=C1)Cl)C2=CC=C(C=C2)Cl)Cl,inactive
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