| 0 | 1 | #Checkmol_1 | cation |
| 1 | 2 | #Checkmol_2 | anion |
| 2 | 3 | #Checkmol_3 | carbonyl compound |
| 3 | 4 | #Checkmol_4 | aldehyde |
| 4 | 5 | #Checkmol_5 | ketone |
| 5 | 6 | #Checkmol_6 | thiocarbonyl compound |
| 6 | 7 | #Checkmol_7 | thioaldehyde |
| 7 | 8 | #Checkmol_8 | thioketone |
| 8 | 9 | #Checkmol_9 | imine |
| 9 | 10 | #Checkmol_10 | hydrazone |
| 10 | 11 | #Checkmol_11 | semicarbazone |
| 11 | 12 | #Checkmol_12 | thiosemicarbazone |
| 12 | 13 | #Checkmol_13 | oxime |
| 13 | 14 | #Checkmol_14 | oxime ether |
| 14 | 15 | #Checkmol_15 | ketene |
| 15 | 16 | #Checkmol_16 | ketene acetal derivative |
| 16 | 17 | #Checkmol_17 | carbonyl hydrate |
| 17 | 18 | #Checkmol_18 | hemiacetal |
| 18 | 19 | #Checkmol_19 | acetal |
| 19 | 20 | #Checkmol_20 | hemiaminal |
| 20 | 21 | #Checkmol_21 | aminal |
| 21 | 22 | #Checkmol_22 | thiohemiaminal |
| 22 | 23 | #Checkmol_23 | thioacetal |
| 23 | 24 | #Checkmol_24 | enamine |
| 24 | 25 | #Checkmol_25 | enol |
| 25 | 26 | #Checkmol_26 | enolether |
| 26 | 27 | #Checkmol_27 | hydroxy compound |
| 27 | 28 | #Checkmol_28 | alcohol |
| 28 | 29 | #Checkmol_29 | prim. alcohol |
| 29 | 30 | #Checkmol_30 | sec. alcohol |
| 30 | 31 | #Checkmol_31 | tert. alcohol |
| 31 | 32 | #Checkmol_32 | 1,2-diol |
| 32 | 33 | #Checkmol_33 | 1,2-aminoalcohol |
| 33 | 34 | #Checkmol_34 | phenol |
| 34 | 35 | #Checkmol_35 | 1,2-diphenol |
| 35 | 36 | #Checkmol_36 | enediol |
| 36 | 37 | #Checkmol_37 | ether |
| 37 | 38 | #Checkmol_38 | dialkylether |
| 38 | 39 | #Checkmol_39 | alkylarylether |
| 39 | 40 | #Checkmol_40 | diarylether |
| 40 | 41 | #Checkmol_41 | thioether |
| 41 | 42 | #Checkmol_42 | disulfide |
| 42 | 43 | #Checkmol_43 | peroxide |
| 43 | 44 | #Checkmol_44 | hydroperoxide |
| 44 | 45 | #Checkmol_45 | hydrazine derivative |
| 45 | 46 | #Checkmol_46 | hydroxylamine |
| 46 | 47 | #Checkmol_47 | amine |
| 47 | 48 | #Checkmol_48 | prim. amine |
| 48 | 49 | #Checkmol_49 | prim. aliphat. amine |
| 49 | 50 | #Checkmol_50 | prim. aromat. amine |
| 50 | 51 | #Checkmol_51 | sec. amine |
| 51 | 52 | #Checkmol_52 | sec. aliphat. amine |
| 52 | 53 | #Checkmol_53 | sec. mixed amine (aryl alkyl) |
| 53 | 54 | #Checkmol_54 | sec. aromat. amine |
| 54 | 55 | #Checkmol_55 | tert. amine |
| 55 | 56 | #Checkmol_56 | tert. aliphat. amine |
| 56 | 57 | #Checkmol_57 | tert. mixed amine |
| 57 | 58 | #Checkmol_58 | tert. arom_amine |
| 58 | 59 | #Checkmol_59 | quaternary ammonium salt |
| 59 | 60 | #Checkmol_60 | N-oxide |
| 60 | 61 | #Checkmol_61 | halogen deriv. |
| 61 | 62 | #Checkmol_62 | alkyl halide |
| 62 | 63 | #Checkmol_63 | alkyl fluoride |
| 63 | 64 | #Checkmol_64 | alkyl chloride |
| 64 | 65 | #Checkmol_65 | alkyl bromide |
| 65 | 66 | #Checkmol_66 | alkyl iodide |
| 66 | 67 | #Checkmol_67 | aryl halide |
| 67 | 68 | #Checkmol_68 | aryl fluoride |
| 68 | 69 | #Checkmol_69 | aryl chloride |
| 69 | 70 | #Checkmol_70 | aryl bromide |
| 70 | 71 | #Checkmol_71 | aryl iodide |
| 71 | 72 | #Checkmol_72 | organometallic compound |
| 72 | 73 | #Checkmol_73 | organolithium compound |
| 73 | 74 | #Checkmol_74 | organomagnesium compound |
| 74 | 75 | #Checkmol_75 | carboxylic acid deriv. |
| 75 | 76 | #Checkmol_76 | carboxylic acid |
| 76 | 77 | #Checkmol_77 | carboxylic acid salt |
| 77 | 78 | #Checkmol_78 | carboxylic acid ester |
| 78 | 79 | #Checkmol_79 | lactone |
| 79 | 80 | #Checkmol_80 | carboxylic acid amide |
| 80 | 81 | #Checkmol_81 | carboxylic acid prim. amide |
| 81 | 82 | #Checkmol_82 | carboxylic acid sec. amide |
| 82 | 83 | #Checkmol_83 | carboxylic acid tert. amide |
| 83 | 84 | #Checkmol_84 | lactam |
| 84 | 85 | #Checkmol_85 | carboxylic acid hydrazide |
| 85 | 86 | #Checkmol_86 | carboxylic acid azide |
| 86 | 87 | #Checkmol_87 | hydroxamic acid |
| 87 | 88 | #Checkmol_88 | carboxylic acid amidine |
| 88 | 89 | #Checkmol_89 | carboxylic acid amidrazone |
| 89 | 90 | #Checkmol_90 | nitrile |
| 90 | 91 | #Checkmol_91 | acyl halide |
| 91 | 92 | #Checkmol_92 | acyl fluoride |
| 92 | 93 | #Checkmol_93 | acyl chloride |
| 93 | 94 | #Checkmol_94 | acyl bromide |
| 94 | 95 | #Checkmol_95 | acyl iodide |
| 95 | 96 | #Checkmol_96 | acyl cyanide |
| 96 | 97 | #Checkmol_97 | imido ester |
| 97 | 98 | #Checkmol_98 | imidoyl halide |
| 98 | 99 | #Checkmol_99 | thiocarboxylic acid deriv. |
| 99 | 100 | #Checkmol_100 | thiocarboxylic acid |
| 100 | 101 | #Checkmol_101 | thiocarboxylic acid ester |
| 101 | 102 | #Checkmol_102 | thiolactone |
| 102 | 103 | #Checkmol_103 | thiocarboxylic acid amide |
| 103 | 104 | #Checkmol_104 | thiolactam |
| 104 | 105 | #Checkmol_105 | imidothioester |
| 105 | 106 | #Checkmol_106 | oxohetarene |
| 106 | 107 | #Checkmol_107 | thioxohetarene |
| 107 | 108 | #Checkmol_108 | iminohetarene |
| 108 | 109 | #Checkmol_109 | orthocarboxylic acid deriv. |
| 109 | 110 | #Checkmol_110 | carboxylic acid orthoester |
| 110 | 111 | #Checkmol_111 | carboxylic acid amide acetal |
| 111 | 112 | #Checkmol_112 | carboxylic acid anhydride |
| 112 | 113 | #Checkmol_113 | carboxylic acid imide |
| 113 | 114 | #Checkmol_114 | carboxylic acid unsubst. imide |
| 114 | 115 | #Checkmol_115 | carboxylic acid subst. imide |
| 115 | 116 | #Checkmol_116 | CO2 deriv. (general) |
| 116 | 117 | #Checkmol_117 | carbonic acid deriv. |
| 117 | 118 | #Checkmol_118 | carbonic acid monoester |
| 118 | 119 | #Checkmol_119 | carbonic acid diester |
| 119 | 120 | #Checkmol_120 | carbonic acid ester halide |
| 120 | 121 | #Checkmol_121 | thiocarbonic acid deriv. |
| 121 | 122 | #Checkmol_122 | thiocarbonic acid monoester |
| 122 | 123 | #Checkmol_123 | thiocarbonic acid diester |
| 123 | 124 | #Checkmol_124 | thiocarbonic acid ester halide |
| 124 | 125 | #Checkmol_125 | carbamic acid deriv |
| 125 | 126 | #Checkmol_126 | carbamic acid |
| 126 | 127 | #Checkmol_127 | carbamic acid ester(urethane) |
| 127 | 128 | #Checkmol_128 | carbamic acid halide |
| 128 | 129 | #Checkmol_129 | thiocarbamic acid deriv. |
| 129 | 130 | #Checkmol_130 | thiocarbamic acid |
| 130 | 131 | #Checkmol_131 | thiocarbamic acid ester |
| 131 | 132 | #Checkmol_132 | thiocarbamic acid halide |
| 132 | 133 | #Checkmol_133 | urea |
| 133 | 134 | #Checkmol_134 | isourea |
| 134 | 135 | #Checkmol_135 | thiourea |
| 135 | 136 | #Checkmol_136 | isothiourea |
| 136 | 137 | #Checkmol_137 | guanidine |
| 137 | 138 | #Checkmol_138 | semicarbazide |
| 138 | 139 | #Checkmol_139 | thiosemicarbazide |
| 139 | 140 | #Checkmol_140 | azide |
| 140 | 141 | #Checkmol_141 | azo compound |
| 141 | 142 | #Checkmol_142 | diazonium salt |
| 142 | 143 | #Checkmol_143 | isonitrile |
| 143 | 144 | #Checkmol_144 | cyanate |
| 144 | 145 | #Checkmol_145 | isocyanate |
| 145 | 146 | #Checkmol_146 | thiocyanate |
| 146 | 147 | #Checkmol_147 | isothiocyanate |
| 147 | 148 | #Checkmol_148 | carbodiimide |
| 148 | 149 | #Checkmol_149 | nitroso compound |
| 149 | 150 | #Checkmol_150 | nitro compound |
| 150 | 151 | #Checkmol_151 | nitrite |
| 151 | 152 | #Checkmol_152 | nitrate |
| 152 | 153 | #Checkmol_153 | sulfuric acid deriv. |
| 153 | 154 | #Checkmol_154 | sulfuric acid |
| 154 | 155 | #Checkmol_155 | sulfuric acid monoester |
| 155 | 156 | #Checkmol_156 | sulfuric acid diester |
| 156 | 157 | #Checkmol_157 | sulfuric acid amide ester |
| 157 | 158 | #Checkmol_158 | sulfuric acid amide |
| 158 | 159 | #Checkmol_159 | sulfuric acid diamide |
| 159 | 160 | #Checkmol_160 | sulfuryl halide |
| 160 | 161 | #Checkmol_161 | sulfonic acid deriv. |
| 161 | 162 | #Checkmol_162 | sulfonic acid |
| 162 | 163 | #Checkmol_163 | sulfonci acid ester |
| 163 | 164 | #Checkmol_164 | sulfonamide |
| 164 | 165 | #Checkmol_165 | sulfonyl halide |
| 165 | 166 | #Checkmol_166 | sulfone |
| 166 | 167 | #Checkmol_167 | sulfoxide |
| 167 | 168 | #Checkmol_168 | sulfinic acid deriv. |
| 168 | 169 | #Checkmol_169 | sulfinic acid |
| 169 | 170 | #Checkmol_170 | sulfinic acid ester |
| 170 | 171 | #Checkmol_171 | sulfinic acid halide |
| 171 | 172 | #Checkmol_172 | sulfinic acid amide |
| 172 | 173 | #Checkmol_173 | sulfenic acid deriv. |
| 173 | 174 | #Checkmol_174 | sulfenic acid |
| 174 | 175 | #Checkmol_175 | sulfenic acid ester |
| 175 | 176 | #Checkmol_176 | sulfenic acid halide |
| 176 | 177 | #Checkmol_177 | sulfenic acid amide |
| 177 | 178 | #Checkmol_178 | thiol |
| 178 | 179 | #Checkmol_179 | alkylthiol |
| 179 | 180 | #Checkmol_180 | arylthiol |
| 180 | 181 | #Checkmol_181 | phosphoric acid deriv. |
| 181 | 182 | #Checkmol_182 | phosphoric acid |
| 182 | 183 | #Checkmol_183 | phosphoric acid ester |
| 183 | 184 | #Checkmol_184 | phosphoric acid halide |
| 184 | 185 | #Checkmol_185 | phosphoric acid amide |
| 185 | 186 | #Checkmol_186 | thiophosphoric acid deriv. |
| 186 | 187 | #Checkmol_187 | thiophosphoric acid |
| 187 | 188 | #Checkmol_188 | thiophosphoric acid ester |
| 188 | 189 | #Checkmol_189 | thiophosphoric acid halide |
| 189 | 190 | #Checkmol_190 | thiophosphoric acid amide |
| 190 | 191 | #Checkmol_191 | phosphonic acid deriv. |
| 191 | 192 | #Checkmol_192 | phosphonic acid |
| 192 | 193 | #Checkmol_193 | phosphonic acid ester |
| 193 | 194 | #Checkmol_194 | phosphine |
| 194 | 195 | #Checkmol_195 | phosphinoxide |
| 195 | 196 | #Checkmol_196 | boronic acid deriv. |
| 196 | 197 | #Checkmol_197 | boronic acid |
| 197 | 198 | #Checkmol_198 | boronic acid ester |
| 198 | 199 | #Checkmol_199 | alkene |
| 199 | 200 | #Checkmol_200 | alkyne |
| 200 | 201 | #Checkmol_201 | aromatic compound |
| 201 | 202 | #Checkmol_202 | heterocyclic compound |
| 202 | 203 | #Checkmol_203 | alpha-aminoacid |
| 203 | 204 | #Checkmol_204 | alpha-hydroxyacid |
| 204 | 714 | #Pubchem_1 | Cc1ccc(C)cc1 |
| 205 | 715 | #Pubchem_2 | Cc1ccc(O)cc1 |
| 206 | 716 | #Pubchem_3 | Cc1ccc(S)cc1 |
| 207 | 717 | #Pubchem_4 | Cc1ccc(N)cc1 |
| 208 | 718 | #Pubchem_5 | Cc1ccc(Cl)cc1 |
| 209 | 719 | #Pubchem_6 | Cc1ccc(Br)cc1 |
| 210 | 720 | #Pubchem_7 | Oc1ccc(O)cc1 |
| 211 | 721 | #Pubchem_8 | Oc1ccc(S)cc1 |
| 212 | 722 | #Pubchem_9 | Oc1ccc(N)cc1 |
| 213 | 723 | #Pubchem_10 | Oc1ccc(Cl)cc1 |
| 214 | 724 | #Pubchem_11 | Oc1ccc(Br)cc1 |
| 215 | 725 | #Pubchem_12 | Sc1ccc(S)cc1 |
| 216 | 726 | #Pubchem_13 | Sc1ccc(N)cc1 |
| 217 | 727 | #Pubchem_14 | Sc1ccc(Cl)cc1 |
| 218 | 728 | #Pubchem_15 | Sc1ccc(Br)cc1 |
| 219 | 729 | #Pubchem_16 | Nc1ccc(N)cc1 |
| 220 | 730 | #Pubchem_17 | Nc1ccc(Cl)cc1 |
| 221 | 731 | #Pubchem_18 | Nc1ccc(Br)cc1 |
| 222 | 732 | #Pubchem_19 | Clc1ccc(Cl)cc1 |
| 223 | 733 | #Pubchem_20 | Clc1ccc(Br)cc1 |
| 224 | 734 | #Pubchem_21 | Brc1ccc(Br)cc1 |
| 225 | 735 | #Pubchem_22 | Cc1cc(C)ccc1 |
| 226 | 736 | #Pubchem_23 | Cc1cc(O)ccc1 |
| 227 | 737 | #Pubchem_24 | Cc1cc(S)ccc1 |
| 228 | 738 | #Pubchem_25 | Cc1cc(N)ccc1 |
| 229 | 739 | #Pubchem_26 | Cc1cc(Cl)ccc1 |
| 230 | 740 | #Pubchem_27 | Cc1cc(Br)ccc1 |
| 231 | 741 | #Pubchem_28 | Oc1cc(O)ccc1 |
| 232 | 742 | #Pubchem_29 | Oc1cc(S)ccc1 |
| 233 | 743 | #Pubchem_30 | Oc1cc(N)ccc1 |
| 234 | 744 | #Pubchem_31 | Oc1cc(Cl)ccc1 |
| 235 | 745 | #Pubchem_32 | Oc1cc(Br)ccc1 |
| 236 | 746 | #Pubchem_33 | Sc1cc(S)ccc1 |
| 237 | 747 | #Pubchem_34 | Sc1cc(N)ccc1 |
| 238 | 748 | #Pubchem_35 | Sc1cc(Cl)ccc1 |
| 239 | 749 | #Pubchem_36 | Sc1cc(Br)ccc1 |
| 240 | 750 | #Pubchem_37 | Nc1cc(N)ccc1 |
| 241 | 751 | #Pubchem_38 | Nc1cc(Cl)ccc1 |
| 242 | 752 | #Pubchem_39 | Nc1cc(Br)ccc1 |
| 243 | 753 | #Pubchem_40 | Clc1cc(Cl)ccc1 |
| 244 | 754 | #Pubchem_41 | Clc1cc(Br)ccc1 |
| 245 | 755 | #Pubchem_42 | Brc1cc(Br)ccc1 |
| 246 | 756 | #Pubchem_43 | Cc1c(C)cccc1 |
| 247 | 757 | #Pubchem_44 | Cc1c(O)cccc1 |
| 248 | 758 | #Pubchem_45 | Cc1c(S)cccc1 |
| 249 | 759 | #Pubchem_46 | Cc1c(N)cccc1 |
| 250 | 760 | #Pubchem_47 | Cc1c(Cl)cccc1 |
| 251 | 761 | #Pubchem_48 | Cc1c(Br)cccc1 |
| 252 | 762 | #Pubchem_49 | Oc1c(O)cccc1 |
| 253 | 763 | #Pubchem_50 | Oc1c(S)cccc1 |
| 254 | 764 | #Pubchem_51 | Oc1c(N)cccc1 |
| 255 | 765 | #Pubchem_52 | Oc1c(Cl)cccc1 |
| 256 | 766 | #Pubchem_53 | Oc1c(Br)cccc1 |
| 257 | 767 | #Pubchem_54 | Sc1c(S)cccc1 |
| 258 | 768 | #Pubchem_55 | Sc1c(N)cccc1 |
| 259 | 769 | #Pubchem_56 | Sc1c(Cl)cccc1 |
| 260 | 770 | #Pubchem_57 | Sc1c(Br)cccc1 |
| 261 | 771 | #Pubchem_58 | Nc1c(N)cccc1 |
| 262 | 772 | #Pubchem_59 | Nc1c(Cl)cccc1 |
| 263 | 773 | #Pubchem_60 | Nc1c(Br)cccc1 |
| 264 | 774 | #Pubchem_61 | Clc1c(Cl)cccc1 |
| 265 | 775 | #Pubchem_62 | Clc1c(Br)cccc1 |
| 266 | 776 | #Pubchem_63 | Brc1c(Br)cccc1 |
| 267 | 777 | #Pubchem_64 | CC1CCC(C)CC1 |
| 268 | 778 | #Pubchem_65 | CC1CCC(O)CC1 |
| 269 | 779 | #Pubchem_66 | CC1CCC(S)CC1 |
| 270 | 780 | #Pubchem_67 | CC1CCC(N)CC1 |
| 271 | 781 | #Pubchem_68 | CC1CCC(Cl)CC1 |
| 272 | 782 | #Pubchem_69 | CC1CCC(Br)CC1 |
| 273 | 783 | #Pubchem_70 | OC1CCC(O)CC1 |
| 274 | 784 | #Pubchem_71 | OC1CCC(S)CC1 |
| 275 | 785 | #Pubchem_72 | OC1CCC(N)CC1 |
| 276 | 786 | #Pubchem_73 | OC1CCC(Cl)CC1 |
| 277 | 787 | #Pubchem_74 | OC1CCC(Br)CC1 |
| 278 | 788 | #Pubchem_75 | SC1CCC(S)CC1 |
| 279 | 789 | #Pubchem_76 | SC1CCC(N)CC1 |
| 280 | 790 | #Pubchem_77 | SC1CCC(Cl)CC1 |
| 281 | 791 | #Pubchem_78 | SC1CCC(Br)CC1 |
| 282 | 792 | #Pubchem_79 | NC1CCC(N)CC1 |
| 283 | 793 | #Pubchem_80 | NC1CCC(Cl)CC1 |
| 284 | 794 | #Pubchem_81 | NC1CCC(Br)CC1 |
| 285 | 795 | #Pubchem_82 | ClC1CCC(Cl)CC1 |
| 286 | 796 | #Pubchem_83 | ClC1CCC(Br)CC1 |
| 287 | 797 | #Pubchem_84 | BrC1CCC(Br)CC1 |
| 288 | 798 | #Pubchem_85 | CC1CC(C)CCC1 |
| 289 | 799 | #Pubchem_86 | CC1CC(O)CCC1 |
| 290 | 800 | #Pubchem_87 | CC1CC(S)CCC1 |
| 291 | 801 | #Pubchem_88 | CC1CC(N)CCC1 |
| 292 | 802 | #Pubchem_89 | CC1CC(Cl)CCC1 |
| 293 | 803 | #Pubchem_90 | CC1CC(Br)CCC1 |
| 294 | 804 | #Pubchem_91 | OC1CC(O)CCC1 |
| 295 | 805 | #Pubchem_92 | OC1CC(S)CCC1 |
| 296 | 806 | #Pubchem_93 | OC1CC(N)CCC1 |
| 297 | 807 | #Pubchem_94 | OC1CC(Cl)CCC1 |
| 298 | 808 | #Pubchem_95 | OC1CC(Br)CCC1 |
| 299 | 809 | #Pubchem_96 | SC1CC(S)CCC1 |
| 300 | 810 | #Pubchem_97 | SC1CC(N)CCC1 |
| 301 | 811 | #Pubchem_98 | SC1CC(Cl)CCC1 |
| 302 | 812 | #Pubchem_99 | SC1CC(Br)CCC1 |
| 303 | 813 | #Pubchem_100 | NC1CC(N)CCC1 |
| 304 | 814 | #Pubchem_101 | NC1CC(Cl)CCC1 |
| 305 | 815 | #Pubchem_102 | NC1CC(Br)CCC1 |
| 306 | 816 | #Pubchem_103 | ClC1CC(Cl)CCC1 |
| 307 | 817 | #Pubchem_104 | ClC1CC(Br)CCC1 |
| 308 | 818 | #Pubchem_105 | BrC1CC(Br)CCC1 |
| 309 | 819 | #Pubchem_106 | CC1C(C)CCCC1 |
| 310 | 820 | #Pubchem_107 | CC1C(O)CCCC1 |
| 311 | 821 | #Pubchem_108 | CC1C(S)CCCC1 |
| 312 | 822 | #Pubchem_109 | CC1C(N)CCCC1 |
| 313 | 823 | #Pubchem_110 | CC1C(Cl)CCCC1 |
| 314 | 824 | #Pubchem_111 | CC1C(Br)CCCC1 |
| 315 | 825 | #Pubchem_112 | OC1C(O)CCCC1 |
| 316 | 826 | #Pubchem_113 | OC1C(S)CCCC1 |
| 317 | 827 | #Pubchem_114 | OC1C(N)CCCC1 |
| 318 | 828 | #Pubchem_115 | OC1C(Cl)CCCC1 |
| 319 | 829 | #Pubchem_116 | OC1C(Br)CCCC1 |
| 320 | 830 | #Pubchem_117 | SC1C(S)CCCC1 |
| 321 | 831 | #Pubchem_118 | SC1C(N)CCCC1 |
| 322 | 832 | #Pubchem_119 | SC1C(Cl)CCCC1 |
| 323 | 833 | #Pubchem_120 | SC1C(Br)CCCC1 |
| 324 | 834 | #Pubchem_121 | NC1C(N)CCCC1 |
| 325 | 835 | #Pubchem_122 | NC1C(Cl)CCCC1 |
| 326 | 836 | #Pubchem_123 | NC1C(Br)CCCC1 |
| 327 | 837 | #Pubchem_124 | ClC1C(Cl)CCCC1 |
| 328 | 838 | #Pubchem_125 | ClC1C(Br)CCCC1 |
| 329 | 839 | #Pubchem_126 | BrC1C(Br)CCCC1 |
| 330 | 840 | #Pubchem_127 | CC1CC(C)CC1 |
| 331 | 841 | #Pubchem_128 | CC1CC(O)CC1 |
| 332 | 842 | #Pubchem_129 | CC1CC(S)CC1 |
| 333 | 843 | #Pubchem_130 | CC1CC(N)CC1 |
| 334 | 844 | #Pubchem_131 | CC1CC(Cl)CC1 |
| 335 | 845 | #Pubchem_132 | CC1CC(Br)CC1 |
| 336 | 846 | #Pubchem_133 | OC1CC(O)CC1 |
| 337 | 847 | #Pubchem_134 | OC1CC(S)CC1 |
| 338 | 848 | #Pubchem_135 | OC1CC(N)CC1 |
| 339 | 849 | #Pubchem_136 | OC1CC(Cl)CC1 |
| 340 | 850 | #Pubchem_137 | OC1CC(Br)CC1 |
| 341 | 851 | #Pubchem_138 | SC1CC(S)CC1 |
| 342 | 852 | #Pubchem_139 | SC1CC(N)CC1 |
| 343 | 853 | #Pubchem_140 | SC1CC(Cl)CC1 |
| 344 | 854 | #Pubchem_141 | SC1CC(Br)CC1 |
| 345 | 855 | #Pubchem_142 | NC1CC(N)CC1 |
| 346 | 856 | #Pubchem_143 | NC1CC(Cl)CC1 |
| 347 | 857 | #Pubchem_144 | NC1CC(Br)CC1 |
| 348 | 858 | #Pubchem_145 | ClC1CC(Cl)CC1 |
| 349 | 859 | #Pubchem_146 | ClC1CC(Br)CC1 |
| 350 | 860 | #Pubchem_147 | BrC1CC(Br)CC1 |
| 351 | 861 | #Pubchem_148 | CC1C(C)CCC1 |
| 352 | 862 | #Pubchem_149 | CC1C(O)CCC1 |
| 353 | 863 | #Pubchem_150 | CC1C(S)CCC1 |
| 354 | 864 | #Pubchem_151 | CC1C(N)CCC1 |
| 355 | 865 | #Pubchem_152 | CC1C(Cl)CCC1 |
| 356 | 866 | #Pubchem_153 | CC1C(Br)CCC1 |
| 357 | 867 | #Pubchem_154 | OC1C(O)CCC1 |
| 358 | 868 | #Pubchem_155 | OC1C(S)CCC1 |
| 359 | 869 | #Pubchem_156 | OC1C(N)CCC1 |
| 360 | 870 | #Pubchem_157 | OC1C(Cl)CCC1 |
| 361 | 871 | #Pubchem_158 | OC1C(Br)CCC1 |
| 362 | 872 | #Pubchem_159 | SC1C(S)CCC1 |
| 363 | 873 | #Pubchem_160 | SC1C(N)CCC1 |
| 364 | 874 | #Pubchem_161 | SC1C(Cl)CCC1 |
| 365 | 875 | #Pubchem_162 | SC1C(Br)CCC1 |
| 366 | 876 | #Pubchem_163 | NC1C(N)CCC1 |
| 367 | 877 | #Pubchem_164 | NC1C(Cl)CC1 |
| 368 | 878 | #Pubchem_165 | NC1C(Br)CCC1 |
| 369 | 879 | #Pubchem_166 | ClC1C(Cl)CCC1 |
| 370 | 880 | #Pubchem_167 | ClC1C(Br)CCC1 |
| 371 | 881 | #Pubchem_168 | BrC1C(Br)CCC1 |
| 372 | 915 | #Ring in Drug_1 | Ring in Drug #1 |
| 373 | 916 | #Ring in Drug_2 | Ring in Drug #2 |
| 374 | 917 | #Ring in Drug_3 | Ring in Drug #3 |
| 375 | 918 | #Ring in Drug_4 | Ring in Drug #4 |
| 376 | 919 | #Ring in Drug_5 | Ring in Drug #5 |
| 377 | 920 | #Ring in Drug_6 | Ring in Drug #6 |
| 378 | 921 | #Ring in Drug_7 | Ring in Drug #7 |
| 379 | 922 | #Ring in Drug_8 | Ring in Drug #8 |
| 380 | 923 | #Ring in Drug_9 | Ring in Drug #9 |
| 381 | 924 | #Ring in Drug_10 | Ring in Drug #10 |
| 382 | 925 | #Ring in Drug_11 | Ring in Drug #11 |
| 383 | 926 | #Ring in Drug_12 | Ring in Drug #12 |
| 384 | 927 | #Ring in Drug_13 | Ring in Drug #13 |
| 385 | 928 | #Ring in Drug_14 | Ring in Drug #14 |
| 386 | 929 | #Ring in Drug_15 | Ring in Drug #15 |
| 387 | 930 | #Ring in Drug_16 | Ring in Drug #16 |
| 388 | 931 | #Ring in Drug_17 | Ring in Drug #17 |
| 389 | 932 | #Ring in Drug_18 | Ring in Drug #18 |
| 390 | 933 | #Ring in Drug_19 | Ring in Drug #19 |
| 391 | 934 | #Ring in Drug_20 | Ring in Drug #20 |
| 392 | 935 | #Ring in Drug_21 | Ring in Drug #21 |
| 393 | 936 | #Ring in Drug_22 | Ring in Drug #22 |
| 394 | 937 | #Ring in Drug_23 | Ring in Drug #23 |
| 395 | 938 | #Ring in Drug_24 | Ring in Drug #24 |
| 396 | 939 | #Ring in Drug_25 | Ring in Drug #25 |
| 397 | 940 | #Ring in Drug_26 | Ring in Drug #26 |
| 398 | 941 | #Ring in Drug_27 | Ring in Drug #27 |
| 399 | 942 | #Ring in Drug_28 | Ring in Drug #28 |
| 400 | 943 | #Ring in Drug_29 | Ring in Drug #29 |
| 401 | 944 | #Ring in Drug_30 | Ring in Drug #30 |
| 402 | 945 | #Ring in Drug_31 | Ring in Drug #31 |
| 403 | 946 | #Ring in Drug_32 | Ring in Drug #32 |
| 404 | 947 | #Ring in Drug_33 | Ring in Drug #33 |
| 405 | 948 | #Ring in Drug_34 | Ring in Drug #34 |
| 406 | 949 | #Ring in Drug_35 | Ring in Drug #35 |
| 407 | 950 | #Ring in Drug_36 | Ring in Drug #36 |
| 408 | 951 | #Ring in Drug_37 | Ring in Drug #37 |
| 409 | 952 | #Ring in Drug_38 | Ring in Drug #38 |
| 410 | 953 | #Ring in Drug_39 | Ring in Drug #39 |
| 411 | 954 | #Ring in Drug_40 | Ring in Drug #40 |
| 412 | 955 | #Ring in Drug_41 | Ring in Drug #41 |
| 413 | 956 | #Ring in Drug_42 | Ring in Drug #42 |
| 414 | 957 | #Ring in Drug_43 | Ring in Drug #43 |
| 415 | 958 | #Ring in Drug_44 | Ring in Drug #44 |
| 416 | 959 | #Ring in Drug_45 | Ring in Drug #45 |
| 417 | 960 | #Ring in Drug_46 | Ring in Drug #46 |
| 418 | 961 | #Ring in Drug_47 | Ring in Drug #47 |
| 419 | 962 | #Ring in Drug_48 | Ring in Drug #48 |
| 420 | 963 | #Ring in Drug_49 | Ring in Drug #49 |
| 421 | 964 | #Ring in Drug_50 | Ring in Drug #50 |
| 422 | 965 | #Ring in Drug_51 | Ring in Drug #51 |
| 423 | 966 | #Ring in Drug_52 | Ring in Drug #52 |
| 424 | 967 | #Ring in Drug_53 | Ring in Drug #53 |
| 425 | 968 | #Ring in Drug_54 | Ring in Drug #54 |
| 426 | 969 | #Ring in Drug_55 | Ring in Drug #55 |
| 427 | 970 | #Ring in Drug_56 | Ring in Drug #56 |
| 428 | 971 | #Ring in Drug_57 | Ring in Drug #57 |
| 429 | 972 | #Ring in Drug_58 | Ring in Drug #58 |
| 430 | 973 | #Ring in Drug_59 | Ring in Drug #59 |
| 431 | 974 | #Ring in Drug_60 | Ring in Drug #60 |
| 432 | 975 | #Ring in Drug_61 | Ring in Drug #61 |
| 433 | 976 | #Ring in Drug_62 | Ring in Drug #62 |
| 434 | 977 | #Ring in Drug_63 | Ring in Drug #63 |
| 435 | 978 | #Ring in Drug_64 | Ring in Drug #64 |
| 436 | 979 | #Ring in Drug_65 | Ring in Drug #65 |
| 437 | 980 | #Ring in Drug_66 | Ring in Drug #66 |
| 438 | 981 | #Ring in Drug_67 | Ring in Drug #67 |
| 439 | 982 | #Ring in Drug_68 | Ring in Drug #68 |
| 440 | 983 | #Ring in Drug_69 | Ring in Drug #69 |
| 441 | 984 | #Ring in Drug_70 | Ring in Drug #70 |
| 442 | 985 | #Ring in Drug_71 | Ring in Drug #71 |
| 443 | 986 | #Ring in Drug_72 | Ring in Drug #72 |
| 444 | 987 | #Ring in Drug_73 | Ring in Drug #73 |
| 445 | 988 | #Ring in Drug_74 | Ring in Drug #74 |
| 446 | 989 | #Ring in Drug_75 | Ring in Drug #75 |
| 447 | 990 | #Ring in Drug_76 | Ring in Drug #76 |
| 448 | 991 | #Ring in Drug_77 | Ring in Drug #77 |
| 449 | 992 | #Ring in Drug_78 | Ring in Drug #78 |
| 450 | 993 | #Ring in Drug_79 | Ring in Drug #79 |
| 451 | 994 | #Ring in Drug_80 | Ring in Drug #80 |
| 452 | 995 | #Ring in Drug_81 | Ring in Drug #81 |
| 453 | 996 | #Ring in Drug_82 | Ring in Drug #82 |
| 454 | 997 | #Ring in Drug_83 | Ring in Drug #83 |
| 455 | 998 | #Ring in Drug_84 | Ring in Drug #84 |
| 456 | 999 | #Ring in Drug_85 | Ring in Drug #85 |
| 457 | 1000 | #Ring in Drug_86 | Ring in Drug #86 |
| 458 | 1001 | #Ring in Drug_87 | Ring in Drug #87 |
| 459 | 1002 | #Ring in Drug_88 | Ring in Drug #88 |
| 460 | 1003 | #Ring in Drug_89 | Ring in Drug #89 |
| 461 | 1004 | #Ring in Drug_90 | Ring in Drug #90 |
| 462 | 1005 | #Ring in Drug_91 | Ring in Drug #91 |
| 463 | 1006 | #Ring in Drug_92 | Ring in Drug #92 |
| 464 | 1007 | #Ring in Drug_93 | Ring in Drug #93 |
| 465 | 1008 | #Ring in Drug_94 | Ring in Drug #94 |
| 466 | 1009 | #Ring in Drug_95 | Ring in Drug #95 |
| 467 | 1010 | #Ring in Drug_96 | Ring in Drug #96 |
| 468 | 1011 | #Ring in Drug_97 | Ring in Drug #97 |
| 469 | 1012 | #Ring in Drug_98 | Ring in Drug #98 |
| 470 | 1013 | #Ring in Drug_99 | Ring in Drug #99 |
| 471 | 1014 | #Ring in Drug_100 | Ring in Drug #100 |
| 472 | 1015 | #Ring in Drug_101 | Ring in Drug #101 |
| 473 | 1016 | #Ring in Drug_102 | Ring in Drug #102 |
| 474 | 1017 | #Ring in Drug_103 | Ring in Drug #103 |
| 475 | 1018 | #Ring in Drug_104 | Ring in Drug #104 |
| 476 | 1019 | #Ring in Drug_105 | Ring in Drug #105 |
| 477 | 1020 | #Ring in Drug_106 | Ring in Drug #106 |
| 478 | 1021 | #Ring in Drug_107 | Ring in Drug #107 |
| 479 | 1022 | #Ring in Drug_108 | Ring in Drug #108 |
| 480 | 1023 | #Ring in Drug_109 | Ring in Drug #109 |
| 481 | 1024 | #Ring in Drug_110 | Ring in Drug #110 |
| 482 | 1025 | #Ring in Drug_111 | Ring in Drug #111 |
| 483 | 1026 | #Ring in Drug_112 | Ring in Drug #112 |
| 484 | 1027 | #Ring in Drug_113 | Ring in Drug #113 |
| 485 | 1028 | #Ring in Drug_114 | Ring in Drug #114 |
| 486 | 1029 | #Ring in Drug_115 | Ring in Drug #115 |
| 487 | 1030 | #Ring in Drug_116 | Ring in Drug #116 |
| 488 | 1031 | #Ring in Drug_117 | Ring in Drug #117 |
| 489 | 1032 | #Ring in Drug_118 | Ring in Drug #118 |
| 490 | 1033 | #Ring in Drug_119 | Ring in Drug #119 |
| 491 | 1034 | #Ring in Drug_120 | Ring in Drug #120 |
| 492 | 1035 | #Ring in Drug_121 | Ring in Drug #121 |
| 493 | 1036 | #Ring in Drug_122 | Ring in Drug #122 |
| 494 | 1037 | #Ring in Drug_123 | Ring in Drug #123 |
| 495 | 1038 | #Ring in Drug_124 | Ring in Drug #124 |
| 496 | 1039 | #Ring in Drug_125 | Ring in Drug #125 |
| 497 | 1040 | #Ring in Drug_126 | Ring in Drug #126 |
| 498 | 1041 | #Ring in Drug_127 | Ring in Drug #127 |
| 499 | 1042 | #Ring in Drug_128 | Ring in Drug #128 |
| 500 | 1043 | #Ring in Drug_129 | Ring in Drug #129 |
| 501 | 1044 | #Ring in Drug_130 | Ring in Drug #130 |
| 502 | 1045 | #Ring in Drug_131 | Ring in Drug #131 |
| 503 | 1046 | #Ring in Drug_132 | Ring in Drug #132 |
| 504 | 1047 | #Ring in Drug_133 | Ring in Drug #133 |
| 505 | 1048 | #Ring in Drug_134 | Ring in Drug #134 |
| 506 | 1049 | #Ring in Drug_135 | Ring in Drug #135 |
| 507 | 1050 | #Ring in Drug_136 | Ring in Drug #136 |
| 508 | 1051 | #Ring in Drug_137 | Ring in Drug #137 |
| 509 | 1052 | #Ring in Drug_138 | Ring in Drug #138 |
| 510 | 1053 | #Ring in Drug_139 | Ring in Drug #139 |
| 511 | 1054 | #Ring in Drug_140 | Ring in Drug #140 |
| 512 | 1055 | #Ring in Drug_141 | Ring in Drug #141 |
| 513 | 1056 | #Ring in Drug_142 | Ring in Drug #142 |
| 514 | 1057 | #Ring in Drug_143 | Ring in Drug #143 |
| 515 | 1058 | #Ring in Drug_144 | Ring in Drug #144 |
| 516 | 1059 | #Ring in Drug_145 | Ring in Drug #145 |
| 517 | 1060 | #Ring in Drug_146 | Ring in Drug #146 |
| 518 | 1061 | #Ring in Drug_147 | Ring in Drug #147 |