1. CH₂Cl₂
   • Dichloromethane : pdb
2. CH₂O
   • Methanal : pdb
3. CH₂O₂
   • Methanoic acid, Formic acid : pdb
4. CH₃F
   • Fluoromethane : pdb
5. CH₃NO
   • Methanamide, Formamide : pdb
6. CH₃NO₂
   • Nitromethane : pdb
7. CH₄
   • Methane : pdb
8. CH₄O
   • Methanol : pdb
9. CH₅N
   • Methanamine : pdb
10. CBrClFI
    • Bromochlorofluoroiodomethane : pdb
11. C₂HCl₂F₃
    • 2,2-Dichloro-1,1,1-trifluoroethane : pdb
12. C₂H₂
    • Ethyne : pdb
13. C₂H₂Br₂F₂
    • 1,1-Dibromo-2,2-difluoroethane : pdb
14. C₂H₂Cl₃NO
    • 2,2,2-Trichloroethanamide : pdb
15. C₂H₂O₄
    • Ethanedioic acid, Oxalic acid : pdb
16. C₂H₄
    • Ethene : pdb
17. C₂H₄O
    • Ethanal : pdb
18. C₂H₄O₂
    • Ethanoic acid, Acetic acid : pdb
19. C₂H₄O₂
    • Methyl methanoate, Methyl formate : pdb
20. C₂H₅NO
    • Ethanamide, Acetamide : pdb
21. C₂H₅NO₂
    • Nitroethane : pdb
22. C₂H₆
    • Ethane : pdb
23. C₂H₆O
    • Ethanol : pdb
    • Methoxymethane : pdb
24. C₂H₆O₂
    • Ethane-1,2-diol : pdb
25. C₂H₇N
    • Ethanamine : pdb
    • N-Methylmethanamine : pdb
26. C₂H₈N₂
    • Ethane-1,2-diamine : pdb
27. C₃H₄
    • Propyne : pdb
    • Prop-1,2-diene (Allene) : pdb
28. C₃H₄BrCl
    • (Z)-1-Bromo-1-chloroprop-1-ene : pdb
    • (E)-1-Bromo-1-chloroprop-1-ene : pdb
29. C₃H₄Cl₂O
    • 1,3-Dichloropropanone : pdb
30. C₃H₄O₂
    • Propanedial : pdb
31. C₃H₄O₄
    • Propanedioic acid, Malonic acid : pdb
32. C₃H₄O₅
    • 2-Hydroxypropanoic acid : pdb
33. C₃H₅FI₂
    • 2-Fluoro-1,3-diiodopropane : pdb
34. C₃H₅NO₃
    • 3-hydroxy-2-oxopropanamide : pdb
35. C₃H₆
    • Cyclopropane: pdb
    • Propene : pdb
36. C₃H₆ClF
    • 2-Chloro-2-fluoropropane : pdb
37. C₃H₆O
    • (R)-Methyloxirane : pdb
    • (S)-Methyloxirane : pdb
    • Propanone, Acetone : pdb
38. C₃H₆O₂
    • Ethyl methanoate, Ethyl formate : pdb
    • 3-Hydroxypropanal : pdb
    • Hydroxypropanone : pdb
    • Methyl ethanoate, Methyl acetate : pdb
    • Propanoic acid : pdb
    • Propanoic acid : pdb
39. C₃H₇Br
    • 1-Bromopropane : pdb
40. C₃H₇NO
    • N,N-Dimethylmethanamide, DMF : pdb
41. C₃H₈
    • Propane : pdb
42. C₃H₈O
    • Methoxyethane : pdb
    • Propan-1-ol : pdb
    • 1-Propanol : pdb
    • 2-Propanol : pdb
43. C₃H₉N
    • N,N-Dimethylmethanamine : pdb
    • N-Methylethanamine : pdb
    • Propan-1-amine : pdb
    • Propan-2-amine : pdb
44. C₃H₉NO
    • 3-Aminopropan-1-ol : pdb
45. C₄H₆
    • But-1-yne : pdb
    • But-2-yne : pdb
46. C₄H₆0
    • Cyclobutanone : pdb
47. C₄H₆O₆
    • (+)-(2R,3R)-Tartaric Acid : pdb
    • (2R,3S)-Tartaric Acid (meso): pdb
    • (-)-(2S,3S)-Tartaric Acid : pdb
48. C₄H₇Cl
    • 4-Chlorobut-1-ene : pdb
49. C₄H₈
    • But-1-ene : pdb
    • trans-But-2-ene : pdb
    • cis-But-2-ene : pdb
    • Cyclobutane: pdb
    • Methylpropene : pdb
50. C₄H₈O
    • Butanone, Methyl ethyl ketone : pdb
51. C₄H₈O₂
    • Methyl propanoate : pdb
52. C₄H₉BrO
    • (2S,3R)3-Bromobut-2-ol : pdb
53. C₄H₉Cl
    • 2-Chloro-2-methylpropane : pdb
54. C₄H₉I
    • (R)-2-Iodobutane : pdb
    • (S)-2-Iodobutane : pdb
55. C₄H₉NO
    • Butanamide : pdb
56. C₄H₁₀
    • Butane, anti conformation : pdb
    • Butane, eclipsed conformation : pdb
    • Butane, gauche conformation : pdb
    • 2-Methylpropane : pdb
57. C₄H₁₀O
    • Ethoxyethane : pdb
    • 1-Methoxypropane : pdb
    • 2-Methoxypropane : pdb
58. C₄H₁₁N
    • N,N-Dimethylethanamine : pdb
    • N-Ethylethanamine : pdb
59. C₄H₁₁NO
    • 4-Aminobutan-1-ol : pdb
60. C₅H₈
    • Cyclopentene : pdb
    • 3-Methylbut-1-yne : pdb
    • (R)-Pent-2,3-diene : pdb
    • (S)-Pent-2,3-diene : pdb
    • Pent-1-yne : pdb
    • Pent-2-yne : pdb
61. C₅H₈F₂
    • 1,1-Difluorocyclopentane : pdb
62. C₅H₈I₂
    • trans-1,2-Diiodocyclopentane : pdb
    • cis-1,2-Diiodocyclopentane : pdb
63. C₅H₈O
    • Cyclopentanone : pdb
    • (E)-Pent-3-en-2-one : pdb
    • Pent-3-yn-1-ol : pdb
64. C₅H₈O₂
    • 3-Oxopentanal : pdb
    • Pentanedial : pdb
    • Pentane-2,3-dione : pdb
65. C₅H₈O₃
    • 5-Hydroxy-3-oxopentanal : pdb
    • 4-Oxopentanoic acid : pdb
66. C₅H₉Br
    • (Z)-1-Bromo-2-methylbut-2-ene : pdb
67. C₅H₉BrO
    • trans-2-Bromocyclopentanol : pdb
68. C₅H₉Br₂F
    • 1,5-Dibromo-3-fluoropentane : pdb
69. C₅H₉ClO₂
    • (S)-3-Chloropentanoic acid : pdb
70. C₅H₉D
    • (E)-1-Deuteropent-1-ene : pdb
71. C₅H₉NO₂
    • 3-Oxopentanamide : pdb
72. C₅H₁₀
    • cis-1,2-Dimethylcyclopropane : pdb
    • Cyclopentane: pdb
    • trans-1,2-Dimethylcyclopropane : pdb
    • Pent-1-ene : pdb
73. C₅H₁₀O
    • Cyclopentanol : pdb
    • Pentanal : pdb
    • Pentan-2-one : pdb
    • Pentan-3-one : pdb
    • (S)-Pent-4-en-2-ol : pdb
74. C₅H₁₀O₂
    • Ethyl propanoate : pdb
    • (S)-2-Methylbutanoic acid : pdb
    • Pentanoic acid : pdb
75. C₅H₁₀O₃
    • meso-2,4-Dihydroxypentan-3-one : pdb
76. C₅H₁₁Br
    • 3-Bromopentane : pdb
77. C₅H₁₁N
    • Cyclopopanamine : pdb
78. C₅H₁₁NO
    • (E)-5-Aminopent-3-en-1-ol : pdb
    • 5-Hydroxypentanamide : pdb
    • Pentanamide : pdb
79. C₅H₁₂
    • 2,2-Dimethylpropane : pdb
    • 2-Methylbutane : pdb
    • Pentane : pdb
80. C₅H₁₂N₂O
    • 5-Aminopentanamide : pdb
81. C₅H₁₂O
    • 1-Ethoxypropane : pdb
    • Pentan-1-ol : pdb
    • (S)-Pentan-2-ol : pdb
82. C₅H₁₃N
    • N-Ethyl-N-methylethanamine : pdb
    • Pentan-1-amine : pdb
83. C₆HCl₅O
    • 2,3,4,5,6-Pentachlorophenol : pdb
84. C₆H₃BrClNO₂
    • 3-Bromo-5-chloro-1-nitrobenzene : pdb
85. C₆H₃Br₃
    • 1,3,5-Tribromobenzene : pdb
86. C₆H₃Cl₃
    • 1,2,3-Trichlorobenzene : pdb
87. C₆H₃ClN₂O₄
    • 2-Chloro-1,3-dinitrobenzene : pdb
88. C₆H₃FN₂O₄
    • 1-Fluoro-2,4-dinitrobenzene : pdb
89. C₆H₃N₃O₄
    • 2,4-Dinitroaniline : pdb
90. C₆H₃N₃O₆
    • 1,3,5-Trinitrobenzene : pdb
91. C₆H₃N₃O₇
    • Picric acid : pdb
92. C₆H₄Br₂
    • 1,3-Dibromobenzene, m-Dibromobenzene : pdb
93. C₆H₄BrCl
    • 1-Bromo-4-chlorobenzene, p-bromochlorobenzene : pdb
94. C₆H₄BrClO₃S
    • 3-Bromo-5-chlorobenzenesulphonic acid : pdb
95. C₆H₄BrI
    • 1-Bromo-3-iodobenzene, m-Bromoiodobenzene : pdb
96. C₆H₄Cl₂
    • 1,2-Dichlorobenzene, o-Dichlorobenzene : pdb
97. C₆H₄INO₂
    • 4-Iodo-1-nitrobenzene : pdb
98. C₆H₄N₂O₄
    • 1,3-Dinitrobenzene, m-Dinitrobenzene : pdb
99. C₆H₅Cl
    • Chlorobenzene : pdb
100. C₆H₅Br
     • Bromobenzene : pdb
101. C₆H₅F₂N
     • 2,4-Difluoroaniline : pdb
102. C₆H₅I
     • Iodobenzene : pdb
103. C₆H₅NO₂
     • Nitrobenzene : pdb
104. C₆H₆
     • Benzene : pdb
105. C₆H₆O
     • Phenol : pdb
106. C₆H₆O₂
     • Hydroquinone : pdb
107. C₆H₆O₃S
     • Benzenesulphonic acid : pdb
108. C₆H₇N
     • Aniline : pdb
109. C₆H₇NO
     • 3-Aminophenol : pdb
110. C₆H₈O
     • (E)-Hexa-1,4-dien-3-one : pdb
111. C₆H₈O₂
     • Cyclohexane-1,4-dione : pdb
112. C₆H₈O₃
     • Hexane-2,3,4-trione : pdb
113. C₆H₈O₆
     • Ascorbic Acid : pdb
114. C₆H₁₀
     • Bicyclo[2.1.1]hexane : pdb
     • Bicyclo[3.1.0]hexane : pdb
     • Cyclohexene : pdb
     • Hex-1-yne : pdb
     • Hex-2-yne : pdb
     • Hex-3-yne : pdb
     • 2-Methylbicyclo[2.1.0]pentane : pdb
115. C₆H₁₀O
     • Cyclohexanone : pdb
116. C₆H₁₀O₂
     • (Z)-Hex-2-enoic acid : pdb
     • 3-Oxohexanal : pdb
117. C₆H₁₀O₄
     • Hexanedioic acid : pdb
118. C₆H₁₁Br
     • Bromocyclohexane : pdb
119. C₆H₁₁BrO
     • (S)-2-Bromohexanal : pdb
120. C₆H₁₁ClO₂
     • (2R,4R)-2-Chloro-4-hydroxyhexanoic acid : pdb
121. C₆H₁₁NO
     • (Z)-Hex-3-enamide : pdb
122. C₆H₁₂
     • Cyclohexane, boat conformation : pdb
     • Cyclohexane, chair conformation : pdb
     • 2,3-Dimethylbut-2-ene : pdb
     • Ethylcyclobutane : pdb
     • Hex-1-ene : pdb
     • (Z)-Hex-3-ene : pdb
     • (E)-Hex-3-ene : pdb
     • Methylcyclopentane : pdb
     • 2-Methylpent-2-ene : pdb
123. C₆H₁₂O
     • Cyclohexanol : pdb
     • 3,3-Dimethylbutan-2-one : pdb
     • Hexanal : pdb
     • Hexan-2-one : pdb
     • Hexan-3-one : pdb
     • (R)-3-Methylpentan-2-one : pdb
     • (S)-3-Methylpentan-2-one : pdb
     • 4-Methylpentan-2-one : pdb
124. C₆H₁₂O₂
     • cis-Cyclohexane-1,2-diol : pdb
     • Ethyl butanoate : pdb
     • (R)-2-Ethyl-3-hydroxybutanal : pdb
     • 3-Ethylpentanoic : pdb
     • Pent-1-yl methanoate : pdb
125. C₆H₁₃NO
     • N-Ethyl-N-methylpropanamide : pdb
     • Hexanamide : pdb
     • N-Methylpentanamide : pdb
126. C₆H₁₃NO₂
     • 6-Aminohexanoic acid : pdb
     • 4-Methyl-1-nitropentane : pdb
127. C₆H₁₄
     • 2,2-Dimethylbutane : pdb
     • 2,3-Dimethylbutane : pdb
     • 2-Methylpentane : pdb
     • 3-Methylpentane : pdb
     • Hexane : pdb
128. C₆H₁₄ClN
     • (2R,3S)-2-Chloro-4-methylpentan-3-amine : pdb
129. C₆H₁₄O
     • 1-Isopropoxypropane : pdb
     • 2-Isopropoxypropane : pdb
     • (R)-2-Methylpentan-3-ol : pdb
130. C₆H₁₄O₂
     • 2,3-Dimethylbutane-2,3-diol : pdb
131. C₆H₁₅N
     • N,3-Dimethylbutan-2-amine : pdb
     • N-Ethylbutan-1-amine : pdb
     • N-Methylpentan-3-amine : pdb
132. C₆H₁₅NO
     • (2S,5R)-5-Aminohexan-2-ol : pdb
133. C₇H₃Br₃O₂
     • 2,4,6-Tribromobenzoic acid : pdb
134. C₇H₅Br₃
     • 3,4,5-Tribromotoluene : pdb
135. C₇H₅NO₄
     • 2-Nitrobenzoic acid : pdb
     • 4-Nitrobenzoic acid : pdb
136. C₇H₅N₃O₆
     • 2,4,6-Trinitrotoluene, TNT : pdb
     • Trinitrotoluene : pdb
137. C₇H₆O
     • Benzaldehyde : pdb
138. C₇H₆O₂
     • Benzoic acid : pdb
139. C₇H₇Br
     • 3-Bromotoluene, m-Bromotoluene : pdb
140. C₇H₇NO
     • Benzamide : pdb
141. C₇H₇NO₂
     • 3-Aminobenzoic acid : pdb
     • Anthranilic acid : pdb
142. C₇H₈
     • Quadricyclene : pdb
     • Toluene : pdb
143. C₇H₈O
     • Anisole : pdb
     • o-Cresol : pdb
     • p-Cresol : pdb
144. C₇H₈NO
     • 2-Aminobenzaldehyde : pdb
145. C₇H₉Br
     • (1E,3E,5Z)-5-Bromohept-1,3,5-triene : pdb
146. C₇H₉N
     • p-Toluidine : pdb
147. C₇H₉NO
     • 4-Methoxyaniline : pdb
148. C₇H₁₀O
     • Bicyclo[2.2.1]heptan-2-one : pdb
149. C₇H₁₁F
     • trans-1-cyclopropyl-3-fluorocyclobutane : pdb
150. C₇H₁₁NO
     • (R)-2-Cyanocyclohexanone : pdb
151. C₇H₁₂
     • Bicyclo[3.2.0]heptane : pdb
     • Bicyclo[4.1.0]heptane : pdb
     • 3-Methylcyclohexene : pdb
     • Norbornane, bicyclo[2,2,1]heptane
     • Spiro[3.3]heptane : pdb
152. C₇H₁₂Cl₂
     • (Z)-2,5-Dichloro-3-ethylpent-2-ene : pdb
153. C₇H₁₂Cl₂O₂
     • 2-Chloroethyl (S)-3-Chloropentanoate : pdb
154. C₇H₁₂O
     • Cycloheptanone : pdb
     • Hept-5-en-2-one : pdb
155. C₇H₁₂O₂
     • Heptane-3,5-dione : pdb
156. C₇H₁₃F
     • Fluorocycloheptane : pdb
157. C₇H₁₃I
     • trans-1-Iodo-2-methylcyclohexane : pdb
     • trans-1-Iodo-2-methylcyclohexane : pdb
158. C₇H₁₃NO
     • (E)-Hept-2-enamide : pdb
159. C₇H₁₄
     • cis-1,3-Dimethylcyclopentane : pdb
     • cycloheptane : pdb
     • cis-1,2-Dimethylcyclopentane : pdb
     • trans-1,2-Dimethylcyclopentane : pdb
     • trans-1,3-Dimethylcyclopentane : pdb
     • trans-1-Ethyl-2-methylcyclobutane : pdb
     • trans-1-Isopropy-2-methylcyclopropane : pdb
     • (Z)-3-Methylhex-3-ene : pdb
     • (E)-3-Methylhex-3-ene : pdb
160. C₇H₁₄Cl₂O
     • (2'R,2S)-2-Chloro-1-(2'-chloropropoxy)butane : pdb
     • (2'S,2R)-2-Chloro-1-(2'-chloropropoxy)butane : pdb
161. C₇H₁₄O
     • 2,4-Dimethylpentan-3-one : pdb
     • 3-Ethylpentanal : pdb
     • Heptan-2-one : pdb
     • Heptan-3-one : pdb
     • Heptan-4-one : pdb
162. C₇H₁₄O₂
     • trans-1,2-Dimethoxycyclopentane : pdb
     • Ethyl pentanoate : pdb
163. C₇H₁₅NO₂
     • (3S,4S)-4-Methyl-3-nitrohexane : pdb
     • (3R,4R)-4-Methyl-3-nitrohexane : pdb
     • (3R,4S)-4-Methyl-3-nitrohexane : pdb
     • (3S,4R)-4-Methyl-3-nitrohexane : pdb
164. C₇H₁₅NO₃
     • (3S,4R)-4-Amino-3-hydroxy-7-oxoheptanoic acid : pdb
165. C₇H₁₆
     • Heptane : pdb
166. C₈H₆I₂O₂
     • Methyl 2,6-diiodobenzoate : pdb
167. C₈H₆N₂O₅
     • 3,5-Dinitroacetophenone : pdb
168. C₈H₆O₄
     • Phthalic acid : pdb
169. C₈H₈
     • Cubane : pdb
     • Cyclooctatetraene (8-annulene) : pdb
     • Styrene : pdb
170. C₈H₈O
     • Acetophenone : pdb
171. C₈H₈O₂
     • 4-Methoxybenzaldehyde : pdb
     • Methyl benzoate : pdb
     • Phenyl ethanoate : pdb
172. C₈H₈O₃
     • Vanillin : pdb
173. C₈H₉)BrO₂
     • 5-Bromo-1,3-dimethoxybenzene : pdb
174. C₈H₉NO
     • Ethananilide, Acetanilide : pdb
175. C₈H₁₀
     • Ethylbenzene : pdb
     • Oct-2,4-diyne : pdb
     • o-Xylene : pdb
     • p-Xylene : pdb
176. C₈H₁₀N₄O₂
     • Caffeine :pdb
177. C₈H₁₀O
     • Ethoxybenzene : pdb
178. C₈H₁₂O
     • (2E,4Z)-Octa-2,4-dienal : pdb
179. C₈H₁₄
     • Bicyclo[2.2.2]octane : pdb
     • Bicyclo[3,3,0]octane : pdb
     • (E)-Cyclooctene : pdb
     • 1,4-Dimethylbicyclo[2.2.0]hexane : pdb
     • 2,2-Dimethylhex-3-yne : pdb
     • 2,5-Dimethylhex-3-yne : pdb
     • Spiro[3.4]nonane : pdb
180. C₈H₁₄O₂
     • Cyclohexyl ethanoate (chair, axial) : pdb
     • (Z)-Oct-5-enoic acid : pdb
181. C₈H₁₅Cl
     • (E)-1-Chlorooct-1-ene : pdb
182. C₈H₁₅Cl₃
     • 1,1,1-Trichloro-2,2-dimethylhexane : pdb
183. C₈H₁₆
     • cis-1,2-Diethylcyclobutane : pdb
     • cyclooctane : pdb
     • (E)-Cyclooctene : pdb
     • 1,1-Dimethylcyclohexane : pdb
     • cis-1,2-Dimethylcyclohexane : pdb
     • trans-1,2-Dimethylcyclohexane (diaxial) : pdb
     • trans-1,2-Dimethylcyclohexane (diequatorial): pdb
     • trans-1,2-Diethylcyclobutane : pdb
     • 3-Ethylhex-3-ene : pdb
     • trans-1-Ethyl-2-methylcyclopentane: pdb
     • 2-Methylhept-2-ene : pdb
184. C₈H₁₆O₂
     • Ethyl hexanoate : pdb
     • 4-Ethyl-4-hydroxyhexan-2-one : pdb
     • 6-Methylheptanoic acid : pdb
     • Methyl 5-methylhexanoate : pdb
     • Octanoic acid : pdb
185. C₈H₁₇FO
     • (2S,3R)-3-Ethoxy-2-fluorohexane : pdb
     • (2R,3S)-3-Ethoxy-2-fluorohexane : pdb
186. C₈H₁₇I
     • (3S)-3-Ethyl-1-iodo-4-methylpentane : pdb
     • (2S,3R)-3-Ethyl-2-iodo-4-methylpentane : pdb
     • (2R,3S)-3-Ethyl-2-iodo-4-methylpentane : pdb
     • (2S,3S)-3-Ethyl-2-iodo-4-methylpentane : pdb
     • (2R,3R)-3-Ethyl-2-iodo-4-methylpentane : pdb
     • (3R)-3-Ethyl-1-iodo-4-methylpentane : pdb
187. C₈H₁₇N
     • Coniine : pdb
188. C₈H₁₈
     • 2,2-Dimethylhexane : pdb
     • Octane : pdb
     • 2,2,3,3-Tetramethylbutane : pdb
     • 2,2,4-Trimethylpentane : pdb
189. C₈H₁₈O
     • (R)-3-Ethoxy-2-methylpentane : pdb
     • (S)-3-Ethoxy-2-methylpentane : pdb
     • 3-Isopropoxypentane : pdb
190. C₈H₁₉N
     • (2R,5R)-5-Methylheptan-2-amine : pdb
     • (R)-N-Prop-1-ylpentan-2-amine : pdb
191. C₉H₈O₄
     • Acetylsalicylic Acid : pdb
192. C₉H₁₀O₂
     • Ethyl benzoate : pdb
193. C₉H₁₁NO₃
     • Epinephrin, adreniline : pdb
194. C₉H₁₂
     • Cumene : pdb
     • 4,4-Dimethylhept-2,5-diyne : pdb
     • Mesitylene : pdb
195. C₉H₁₄
     • Cyclononyne : pdb
     • Non-1-en-7-yne : pdb
     • Santene : pdb
196. C₉H₁₄Br₂
     • trans-1,6-Dibromobicyclo[4,3,0]nonane : pdb
197. C₉H₁₄O
     • Spiro[4.5]decan-2-one : pdb
     • 1,3-Dicyclopropylpropan-2-one : pdb
198. C₉H₁₄O₂
     • (S)-2-Hydroxynon-7-yn-4-one : pdb
199. C₉H₁₅Cl
     • (R)-1-Chlorospiro[4.4]nonane : pdb
     • (S)-1-Chlorospiro[4.4]nonane : pdb
200. C₉H₁₆
     • Bicyclo[3.2.2]nonane : pdb
     • cis-Bicyclo[4.2.1]nonane : pdb
     • cyclobutylcyclopentane : pdb
     • Dicyclobutylmethane : pdb
     • 7,7-Dimethylbicyclo[2.2.1]heptane : pdb
     • 2,6-Dimethylspiro[3.3]heptane: pdb
     • (3Z)-3-Ethylhept-1,3-diene : pdb
     • 2-Methyloct-3-yne : pdb
     • 5-Methylspiro[3.4]octane: pdb
     • (3Z,5Z)-Non-3,5-diene : pdb
     • Non-1-yne : pdb
     • Spiro[2.6]nonane: pdb
     • Spiro[3.5]nonane : pdb
     • Spiro[4,4]nonane : pdb
201. C₉H₁₆O
     • cyclopropoxycyclohexane : pdb
202. C₉H₁₆O₄
     • Diethyl pentanedioate : pdb
     • (R)-6-Hydroxy-4-oxononanoic acid : pdb
203. C₉H₁₇I
     • (E)-3-Ethyl-1-iodohept-3-ene : pdb
204. C₉H₁₈
     • (2R)-2-cyclobutylpentane : pdb
     • Diethylcyclopentane : pdb
     • trans-1,2-Dimethylcycloheptane : pdb
     • (Z)-2,6-Dimethylhept-3-ene : pdb
     • 4-Ethyl-2-methylhex-2-ene : pdb
     • Propylcyclohexane (equatorial, chair) : pdb
205. C₉H₁₈O
     • meso-3,5-Dimthylheptan-4-one : pdb
     • 3-Ethylheptan-4-one : pdb
     • Nonanal : pdb
     • 2,2,4,4-Tetramethylpentan-3-one : pdb
206. C₉H₁₈O₂
     • Methyl 2-isopropyl-3-methylbutanoate : pdb
207. C₉H₁₉BrO
     • (2R,3R)-2-Bromo-3-isopropoxy-4-methylpentane : pdb
     • (2S,3S)-2-Bromo-3-isopropoxy-4-methylpentane : pdb
208. C₉H₂₀
     • 3-Ethyl-2,4-dimethylpentane : pdb
     • Nonane : pdb
209. C₉H₂₀NO₃
     • (3S,4R,5R)-4-Amino-5-ethyl-3-hydroxy-7-oxoheptanoic acid : pdb
210. C₁₀H₁₀
     • 10-Annulene : pdb
211. C₁₀H₁₀I₂O₂
     • Isopropyl 2,3-diiodobenzoate : pdb
212. C₁₀H₁₁NO₄
     • Isopropyl 2-nitrobenzoate : pdb
213. C₁₀H₁₂O₂
     • 2,4,6-Trimethylbenzoic acid : pdb
214. C₁₀H₁₄
     • t-Butylbenzene : pdb
     • But-1-ylbenzene : pdb
     • m-Cymene : pdb
     • (R)-3-Propylhept-1,6-diyne : pdb
     • Thymol : pdb
215. C₁₀H₁₄N₂
     • Nicotine : pdb
216. C₁₀H₁₄O
     • (-)-(R)-Carvone : pdb
     • (+)-(S)-Carvone : pdb
217. C₁₀H₁₆
     • Adamantane : pdb
     • Camphene : pdb
     • delta-3-Carene : pdb
     • (R)-(+)-Limonene :pdb
     • alpha-Pinene : pdb
218. C₁₀H₁₆O
     • trans-Bicyclo[4.4.0]decan-3-one : pdb
219. C₁₀H₁₆O₂: (+)-trans-chrysanthemic acid
220. C₁₀H₁₇Cl
     • (S)-2-Chlorospiro[4.5]decane : pdb
     • (R)-2-Chlorospiro[4.5]decane : pdb
221. C₁₀H₁₈
     • cis-Bicyclo[4.4.0]decane (cis-Decalin) : pdb
     • trans-Bicyclo[4.4.0]decane (trans-Decalin) : pdb
     • Dec-4-yne : pdb
     • 1,2-Dimethylbicyclo[3.3.0]octane : pdb
     • (R)-3-Propylhept-1-yne : pdb
     • (S)-3-Propylhept-1-yne : pdb
     • Spiro[2.7]decane: pdb
     • Spiro[4.5]nonane : pdb
     • 2,6,6-Trimethylbicyclo[3.1.1]heptane : pdb
222. C₁₀H₁₈Cl₂O
     • 2,2-Dichloro-4-propylheptanal : pdb
223. C₁₀H₁₈Br₂
     • (1S,2S,4R)-1,2-Dibromo-4-t-butylcyclohexane : pdb
224. C₁₀H₁₉Br
     • (Z)-5-Bromodec-5-ene : pdb
225. C₁₀H₂₀
     • t-Butylcyclohexane : pdb
     • (E)-Dec-5-ene : pdb
     • cis-1,2-Diethylcyclohexane: pdb
     • trans-1,3-Diethylcyclohexane : pdb
     • trans-1,3-Diisopropylcyclobutane : pdb
226. C₁₀H₂₀I₂
     • meso-2,6-Diiodo-4-isopropylheptane : pdb
     • (2S,3S)-2,6-Diiodo-4-isopropylheptane : pdb
     • (2R,3R)-2,6-Diiodo-4-isopropylheptane : pdb
227. C₁₀H₂₀N₂S₄
     • Antabuse : pdb
228. C₁₀H₂₀O
     • Menthol : pdb
     • (S)-2,4,6-Trimethylheptan-3-one : pdb
229. C₁₀H₂₀O₂
     • (R)-But-2-yl (S)-3-methylpentanoate : pdb
     • Decanoic acid : pdb
230. C₁₀H₂₁NO
     • N,N-Diisopropyl-2-methylpropanamide : pdb
     • 3-Ethyl-6-methylheptanamide : pdb
231. C₁₀H₂₂
     • t-Butylcyclohexane : pdb
     • Decane : pdb
     • 4-Isopropylheptane : pdb
232. C₁₀H₂₂O
     • (2'R,3S)-3-(2'Butoxy)hexane : pdb
     • (2'S,3R)-3-(2'Butoxy)hexane : pdb
     • 3-(3'-pentoxy)pentane : pdb
233. C₁₀H₂₃N
     • N-Ethyl-N-methylheptan-4-amine : pdb
234. C₁₀Cl₁₀O
     • Chlordecone : pdb
235. C₁₁H₁₂NO
     • Butananilide : pdb
236. C₁₁H₁₄O₂
     • 5-Phenylpentanoic acid : pdb
237. C₁₁H₁₆
     • Multifidene : pdb
238. C₁₁H₁₆O
     • Ectocarpene : pdb
     • Jasmone : pdb
239. C₁₁H₁₆O₃S
     • (R)-2-Butyl p-toluenesulphonate : pdb
240. C₁₁H₁₉ClO₂
     • cis-2-Chlorocyclopent-1-yl 2-ethylbutanoate : pdb
241. C₁₁H₂₀
     • Bicyclo[3.3.3]undecane : pdb
     • Bicyclo[4.3.2]undecane : pdb
     • 1-Cyclohexylpentan-1-one : pdb
     • 1,9-Dimethylbicyclo[4.2.1]nonane : pdb
     • (2S,3S)-2-Ethyl-3-methylbicyclo[2.2.2]octane : pdb
     • Spiro[5.5]nonane: pdb
242. C₁₁H₂₀O₃
     • Prop-1-yl (E)-8-hydroxyoct-5-enoate : pdb
243. C₁₁H₂₁ClO₂
     • 2-Methylprop-1-yl (R)-2-Chloroheptanoate : pdb
244. C₁₁H₂₂
     • (2R,3S)-Dicyclopropylpentane (meso) : pdb
     • (1R,2S,4S)-1,2,4-Triethylcyclopentane (all cis) : pdb
     • trans-1-t-Butyl-2-methylcyclohexane : pdb
245. C₁₁H₂₂O
     • Undecan-3-one : pdb
246. C₁₁H₂₂O₂
     • 2,4-Dimethylpent-3-yl 3-methylbutanoate : pdb
     • (S)-Hept-2-yl butanoate : pdb
247. C₁₁H₂₃Br
     • (R)-3-Bromoundecane : pdb
     • (S)-3-Bromoundecane : pdb
248. C₁₁H₂₄
     • 3,4-Diethyl-3-methylhexane : pdb
     • (3R,5S)-4-Ethyl-3,5-dimethylheptane (meso) : pdb
     • (4S,5S)-4-Isopropyl-5-isobutyldecane : pdb
     • (4R)-3-isopropyl-2,4-dimethylhexane : pdb
249. C₁₁H₂₄O
     • 3,5-Diethylheptan-4-ol : pdb
     • 1,5-Dipropoxypentane : pdb
250. C₁₂H₈O
     • Capillin :pdb
251. C₁₂H₁₁N₇
     • Triamterene : pdb
252. C₁₂H₁₆O
     • 1-Phenylhexan-1-one : pdb
253. C₁₂H₂₂
     • 2,6-Dimethylspiro[4.5]decane: pdb
     • (1S,2R,4S,6R)-4-Ethyl-2-isopropylbicyclo[4.1.0]heptane : pdb
     • endo-2-Isopropyl-7,7-dimethylbicyclo[2.2.1]heptane : pdb
     • Spiro[3.8]dodecane : pdb
     • 1,2,4,8-Tetramethylspiro[2.5]octane : pdb
     • (Z)-4-Ethyl-5-methylnon-4-ene : pdb
254. C₁₂H₂₄O₂
     • (S)-Hex-3-yl hexanoate : pdb
255. C₁₂H₂₅NO
     • N,N,4-Triethylhexanamide : pdb
256. C₁₂H₂₆
     • (3R,5S)-4-Isopropyl-3,5-dimethylheptane : pdb
257. C₁₂H₂₇N
     • N,N,3-Triethylhexan-3-amine : pdb
258. C₁₃H₁₀)O
     • Benzophenone : pdb
259. C₁₃H₁₈O₂
     • Ibuprofen :pdb
260. C₁₃H₂₀
     • Tetracyclopropylmethane : pdb
261. C₁₃H₂₀O
     • 3-Phenoxyheptane : pdb
262. C₁₃H₂₂N₄O₃S
     • Ranitidine : pdb
263. C₁₃H₂₄
     • (3R)-3-Cyclobutyl-1-cyclopropylpentane: pdb
     • 1-Methyl-8-propylbicyclo[4.3.0]nonane : pdb
     • 8-Isopropylspiro{4.5]decane : pdb
264. C₁₃H₂₆
     • (4S)-4-Cyclopentyloctane: pdb
     • (3R)-3-Cyclopropyl-4,4-dimethyloctane : pdb
     • (4R)-3-Ethyl-4-cyclopentylhexane : pdb
265. C₁₃H₂₇NO
     • 5-Ethyl-N-methyl-Npropylheptanamide : pdb
266. C₁₃H₂₈
     • 4,4-Dipropylheptane : pdb
     • (3S,5S)-5-Isopropyl-2,3-dimethyloctane : pdb
267. C₁₄H₈O₄
     • Alizarin : pdb
268. C₁₄H₁₄
     • 14-Annulene : pdb
269. C₁₄H₁₈
     • 2,2,9,9-Tetramethyldec-3,5,7-triyne : pdb
270. C₁₄H₁₈N₂O₅
     • Aspartame : pdb
271. C₁₄H₂₉B
     • B-((E)-1-But-1-enyl)-B,B-di(1,2-dimethylpropyl)borane : pdb
272. C₁₄H₃₀
     • 5-Butyldecane : pdb
     • 2,2,4,4,7,7-Tetramethyloctane : pdb
273. C₁₅H₁₁I₄NO₄
     • Levothyroxine : pdb
274. C₁₅H₁₄ClN₃O₄S
     • Cefaclor : pdb
275. C₁₅H₂₄
     • Humulene : pdb
276. C₁₅H₂₄O₂
     • Methyl (R,2E)-tetradec-2,4,5-trienoate : pdb
277. C₁₄H₂₆
     • 1,4-Diisopropylbicyclo[2.2.2]octane : pdb
278. C₁₅H₃₂
     • 4,4-Di-t-butylheptane : pdb
     • (5R)-5-(1-Ethylpropyl)decane : pdb
     • 4-Isopropyl-4-propylnonane : pdb
279. C₁₆H₈Br₂N₂O₂
     • Tyrian purple : pdb
280. C₁₆H₁₃ClN₂O
     • Valium : pdb
281. C₁₆H₁₉N₃O₅S
     • Amoxicillin : pdb
282. C₁₆H₂₀I₃N₃O₈
     • Iopromide : pdb
283. C₁₆H₂₆
     • (S)-3-Phenyldecane : pdb
284. C₁₆H₃₀
     • 2,7-Diethylspiro[5.6]dodecane : pdb
285. C₁₆H₃₄
     • 6-Isoamylundecane : pdb
     • (5S)-5-Isobutyldodecane : pdb
     • (4R,5S)-5-Isobutyl-4-isopropylnonane : pdb
286. C₁₇H₁₃ClN₄
     • Alprazolam : pdb
287. C₁₇H₁₈N₂
     • Troger's base : pdb
288. C₁₇H₁₉NO₃
     • Piperine : pdb
289. C₁₇H₂₂O₂
     • Enanthotoxin (R enantiomer): pdb
290. C₁₇H₂₂I₃N₃O₈
     • Iopamidol : pdb
291. C₁₇H₃₂
     • (R)-4-Butyl-4-propyldec-2-yne : pdb
     • (S)-4-Butyl-4-propyldec-2-yne : pdb
292. C₁₇H₃₆
     • (5S,1'S)-5-sec-butyl-5-isopropyldecane: pdb
293. C₁₈H₁₀O₂
     • Phenyl benzoate : pdb
294. C₁₈H₁₈
     • 18-Annulene (planar) : pdb
     • 18-Annulene (energy minimized) : pdb
295. C₁₈H₃₄O
     • (3E,13Z)-3,13-dien-1-ol :pdb
296. C₁₈H₃₈
     • (5S,6R,1'S)-6-sec-Butyl-5-isobutyldecane : pdb
     • (5S)-6-Ethyl-5-isobutyl-3-isopropyl-2-methyloctane : pdb
     • (4S,5R)-4-Ethyl-2-methyl-5,6-dipropylnonane : pdb
297. C₁₉H₂₆I₃N₃O₉
     • Iohexol : pdb
298. C₁₉H₄₀
     • (3S,5S,7S)-3,5,7-Triethyl-2,5,7-trimethyldecane : pdb
299. C₂₀H₂₅N₃O
     • LSD : pdb
300. C₂₀H₂₈O
     • 11-cis-Retinal : pdb
301. C₂₀H₂₄N₂O₂
     • Quinine : pdb
302. C₂₀H₄₂
     • (3S,5R,6R,7S,1'S)-7-Isopropyl-5-(1,2-dimethylpropyl)-3,6-dimethyldecane : pdb
     • (4S,6R)-4-Isopropyl-6-pentyldodecane : pdb
     • (5R,6S)-6-(3-Methylbutyl)-5-(2-methylpropyl)undecane : pdb
303. C₂₁H₃₂O₂
     • Pregnenolone : pdb
304. C₂₁H₄₁Br
     • (E)-12-Bromo-6-hexyl-5-propyldodec-5-ene : pdb
305. C₂₁H₄₄
     • (4R,6S,1'R)-4,6-Diisopropyl-5-(1,2,2-trimethylpropyl)nonane : pdb
306. C₂₂H₂₆N₂O₄S
     • Diltiazem : pdb
307. C₂₃H₄₆
     • Muscalure, (Z)-9-Tricosene :pdb
308. C₂₃H₄₈
     • (6S,8R,1'S)-6-(1-Ethyl-3-methylbutyl)-3-ethyl-8-isopropylundecane : pdb
309. C₂₄H₄₀O₅
     • (+)Cholic acid : pdb
310. C₂₆H₁₆
     • Hexahelicene : pdb
311. C₂₇H₄₆O
     • Cholesterol : pdb
312. C₃₂H₄₁NO₂
     • Terfenadine (R enantiomer) : pdb
313. C₃₅H₄₄I₆N₆O₁₅
     • Iodixanol : pdb
314. C₄₆H₄₉O₁₄N
     • Taxol : pdb
315. C₄₈H₂₄
     • Kekulene : pdb

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et Sylvain Robert: robert@uqtr.ca responsable de l'adaptation