Table S5.
Summary of molecular framework generated from active DPP4 inhibitors
| Number | SMILES | Member size |
|---|---|---|
| 1 | C(CCC1CCC2CCCC2C1)CC1CCCCC1 | 93 |
| 2 | C(CCC1CCCCC1)CC1CCCC1CCCC1CCCCC1 | 87 |
| 3 | C(CC1CCCC1)CC1CCC(CC1)C1CCCCC1 | 85 |
| 4 | C1CCCC1 | 65 |
| 5 | C(CC1CCC(CCC2CCCCC2)CC1)C1CCCC1 | 50 |
| 6 | C(C1CCCC1)C1CCCC1 | 43 |
| 7 | C(CCCC1CCCCC1)CCC1CCCC1 | 37 |
| 8 | C(C1CCCC1)C1CCC(C1)C1CCC(CC1)C1CCCCC1 | 33 |
| 9 | C(C1CCCC1)C1CCC(CC2CCCCC2)C1 | 32 |
| 10 | C(CC1CCCC1)CC1CCC(C1)C1CCCCC1 | 32 |
| 11 | C(C1CCCC1)C1CCC(CC2CCC(CC2)C2CCCC2)C1 | 31 |
| 12 | C(CCC1CCCCCC1)CC1CCCCC1 | 31 |
| 13 | C(C1CCCCC1)C1CCCCC1C1CCCCC1 | 30 |
| 14 | C(CC1C2CC(CC12)C1CCCCC1)CC1CCCC1 | 29 |
| 15 | C1C2CCCCC2C2CCC(CC12)C1CCCCC1 | 27 |
| 16 | C(CC1CCCC1)CC1CCCCC1 | 27 |
| 17 | C(CCC1CCC(CC2CCCCC2)CC1)CC1CCCCC1 | 27 |
| 18 | C(CCC1CCCCC1)CC1CCCC1 | 25 |
| 19 | C(CC1CCC(CC1)C1CCCCC1)C1CCCCC1 | 24 |
| 20 | C(CCCC1CC1C1CCCCC1)CCCC1CCCC1 | 24 |
| 21 | C(C1CCCC1)C1CCC(C1)C1CCCCC1 | 23 |
| 22 | C1CCC(CC1)C1CCC2C(CCC3CCCCC23)C1 | 22 |
| 23 | C(CCCC1CCCC1)CCCC1CCCCC1 | 22 |
| 24 | C1CCC(CC1)C1CCCC2CCCCC12 | 21 |
| 25 | C1CCC(CC1)C1CCCCC1 | 21 |
| 26 | C(CC1CCCC1)CC1CCC(CC1)C1CCC2CCCC2C1 | 20 |
| 27 | C1CCC(CC1)C1CCCC(C1)C1CCCCC1 | 20 |
| 28 | C(C1C2CCCCC2CC1C1CCCCC1)C1CCCCC1 | 19 |
| 29 | C(CC1CCCC1)CC1CC2CCCC2C1 | 18 |
| 30 | C(C1CCC2CC(CC2C1)C1CCCCC1)C1CCCC2CCCCC12 | 18 |
| 31 | C1CC2CCC(CC2C1)C1CCCCC1 | 18 |
| 32 | C(CC1CCCC1)CC12CC3CC(CC(C3)C1)C2 | 17 |
| 33 | C(CC1CCCC1)CC1CCC(CCC2CCCCC2)CC1 | 17 |
| 34 | C(CC1CCCCC1)C1CCC(CC2CCCC2)C1 | 17 |
| 35 | C(CCC1CCC2CCC(C2C1)C1CCCCC1)CC1CCCCC1 | 16 |
| 36 | C(CC1CCC2CC(CC2C1)C1CCCCC1)C1CCCCC1 | 16 |
| 37 | C(CC1CCC(CCC2CCCCC2)CC1)C1CCCCC1 | 16 |
| 38 | C(C1CCCC1)C1CCC(CC2CC3CCCCC3C2)C1 | 15 |
| 39 | C(CC1CCCC1)CC1CCC(CCCC2CCCCC2)CC1 | 15 |
| 40 | C(CCC1CCCCC1)CC1CCCC1CCC1CCCCC1 | 15 |
| 41 | C(CC1CCCCC1)C1CCCCC1 | 14 |
| 42 | C(CC1CCCC1)CC1CCCC1 | 14 |
| 43 | C(CCC1CCCCC1)CCC1(CCCCC1)C1CC2CCCCC2C1 | 14 |
| 44 | C(C1CCCCC1)C1CC2CCCCC2CC1C1CCCCC1 | 13 |
| 45 | C(CC1CCC(CCC2CCCCC2)C1)C1CCCC1 | 13 |
| 46 | C(CCC1CCCC(CC2CCCCC2)CC1)CC1CCCCC1 | 13 |
| 47 | C(CCC1CCCCC1)CC1CCCC1C1CCC(C1)C1CCCCC1 | 13 |
| 48 | C(CCC1CCC2CCCC2C1CC1CCCCC1)CC1CCCCC1 | 13 |
| 49 | C1CCC(CC1)C1CCC(CC1)C1CCCCC1 | 13 |
| 50 | C(CC1CCCCC1)C1CCCC1 | 12 |
| 51 | C(CCC1CCCC1)CCC1CCC(C1)C1CCCCC1 | 12 |
| 52 | C(C1CCCC1)C1CCC(C1)C1CCC(CC1)C1CC2CCCCC2C1 | 11 |
| 53 | C(CCC1CCCCC1)CC1CCCCC1 | 11 |
| 54 | C1CC2CCC(CC2C1)C1CCC(CC1)C1CCCCC1 | 11 |
| 55 | C(CCC1CCC2CC(CC2C1)C1CCCCC1)CC1CCCCC1 | 11 |
| 56 | C(CCCCC1CCCCC1)CCCC1CCCC1 | 11 |
| 57 | C(C(CC1CCCCC1)C1CCCC1CC1CCCC1)C1CCCCC1 | 10 |
| 58 | C(C1CCC2CC(CC2C1)C1CCCCC1)C1CCC2CCCCC2C1 | 10 |
| 59 | C(CCC1CCC(CCC2CCCC2)CC1)CC1CCCCC1 | 10 |
| 60 | C(CCCC1CCCC1)CCC1CCCC1 | 10 |
| 61 | C(CCC1CCCC1)CCC1CCC2CCCC2C1 | 10 |
| 62 | C(CCC1CCCCC1CC1CCCCC1)CC1CCCCC1 | 10 |
| 63 | C(CCCC1CCCC1)CCCC1CCC2CCCC2C1 | 10 |
| 64 | C1CCC(CC1)C1CCC(CC1)C1CCC2CCCCC2C1 | 9 |
| 65 | C(CCCCC1CCCC1)CCCCC1CCCCC1 | 9 |
| 66 | C(CCC1CCCC1)CCC1CCCC1 | 9 |
| 67 | C(CC1CCC(CCC2CCCC2)C1)CC1CCCCC1 | 8 |
| 68 | C(C1CCCC1)C1CCC(CC2CCC3CCCCC3C2)C1 | 8 |
| 69 | C(CC1CCCC1)CC1CCC(CC1)C1CCCC(C1)C1CCCC1 | 8 |
| 70 | C(CCC1CCCCC1)CC1CCCC1CCCC1CC1 | 8 |
| 71 | C(C1CCCC1)C1CCC(C1)C1CCC(CC1)C1CCCC2CCCCC12 | 8 |
| 72 | C(CC1CCCCC1C1CCCCC1)C1CCCC1 | 8 |
| 73 | C(CCCC1CCC2CCCCC2C1)CCC1CCCC1 | 8 |
| 74 | C(CCC1CCC(CC1)C1CCCCC1)CC1CCCCC1 | 8 |
| 75 | C(C1CCCCC1)C1CC2CCCC2CC1C1CCCCC1 | 8 |
| 76 | C(CC1CCCC1)CC1CCC(CC2CCCCC2)CC1 | 8 |
| 77 | C1CCC(C1)C1CCC2C(CCC3CCCCC23)C1 | 7 |
| 78 | C(CCC1CCCC1)CCC1CCCCC1 | 7 |
| 79 | C(C1CCC2CC(CC2C1)C1CCCCCC1)C1CCC2CCCCC2C1 | 7 |
| 80 | C(CCC1CCCCCC1CC1CCCCC1)CC1CCCCC1 | 7 |
| 81 | C(CCC1CCC2CCCCC2C1)CC1CCCC1 | 7 |
| 82 | C(CC1CCCCC1)CC1CCCCC1C1CCCCC1 | 7 |
| 83 | C(C1CCCC1)C1CCC(C1)C1CCC2CCCCC12 | 7 |
| 84 | C1CC(CC1C1CCCCC1)C1CCCC(C1)C1CCCCC1 | 6 |
| 85 | C(CCC1CCC(CCCC2CCCCC2)CC1CC1CCCCC1)CC1CCCCC1 | 6 |
| 86 | C(CC1CCCCC1)CC1CCCC(CCC2CCCC2)C1 | 6 |
| 87 | C(CCC1CCCCC1)CC1CCCC1C1CCC(C1)C1CC1 | 6 |
| 88 | C(C1CCC2CC(CC2C1)C1CCCCCC1)C1CCCC2CCCCC12 | 6 |
| 89 | C(CC1CCCC1CC1CCCC1)CC12CC3CC(CC(C3)C1)C2 | 6 |
| 90 | C(CC1CCCC1)C(CC1CC1)C1CCC(C1)C1CCCCC1 | 6 |
| 91 | C(CCC1CCC2CCC(C3CCCC3)C2C1)CC1CCCCC1 | 5 |
| 92 | C(CCC1CCC2CC(CC3CCCCC3)CC2C1)CC1CCCCC1 | 5 |
| 93 | C1CCC(C1)C1CCCC(C1)C1CCC(C1)C1CCCCC1 | 5 |
| 94 | C1CC2CCCC2C1 | 5 |
| 95 | C(CC1CCC(C1)C1CCCCC1)CC1CCCC2CCCCC12 | 5 |
| 96 | C1C(CC2CCCCC12)C1CCCCC1 | 5 |
| 97 | C(CCC1CCC2CC(CC2C1)C1CC1)CC1CCCCC1 | 5 |
| 98 | C(CCC1CCCCC1)CC1CCCC1CC1CCCCC1 | 4 |
| 99 | C(CC1CCCC1)CC1CCC(CC1)C1CCCC2CCCC12 | 4 |
| 100 | C(CC1CCC(CC2CCCC2)C1)CC1CCCCC1 | 4 |
| 101 | C1CC1C1CCCC2CCC(CC12)C1CCC(C1)C1CCCCC1 | 4 |
| 102 | C(CCC1CCC2CCCC2C1CC1CCCC1)CC1CCCCC1 | 4 |
| 103 | C(CC1CCC1)CC1CCC(CC1)C1CCCCC1 | 4 |
| 104 | C(C1CCCCC1)C1CC(CCC1C1CCCCC1)C1CCCC1 | 4 |
| 105 | C(CC1CCC(CC2CCCCC2)CC1)C1CCCCC1 | 4 |
| 106 | C(CC1CCCC1)CC1C2CC3CC(C2)CC1C3 | 4 |
| 107 | C(C1CCCCC1)C1CC(CCC1C1CCCCC1)C1CCCCC1 | 4 |
| 108 | C(CCC1CCC2C(CCC2C2CCCCC2)C1)CC1CCCCC1 | 4 |
| 109 | C(CCC1CCC(CC2CC3CCCCC3C2)CC1)CC1CCCCC1 | 4 |
| 110 | C(CCCC1CCCCC1)CCC1CCCCC1 | 4 |
| 111 | C(CC1CCC2CC(C(CC3CCCCC3)C2C1)C1CCCCC1)C1CCCCC1 | 4 |
| 112 | C1CCC(CC1)C1CCC2CCCC(C3CCCCC3)C2C1 | 4 |
| 113 | C(CC1CCC(CCC2CCCC2)C1)CC1CCCC2CCCCC12 | 4 |
| 114 | C(CC1CCCCC1)CC1CCC(CCC2CCCC2)CC1 | 4 |
| 115 | C(CCC1CCCC1)CCC1CC2CCCCC2C1 | 4 |
| 116 | C(CC1CCC(C(CC2CCCCC2)C1)C1CCCCC1)C1CCCCC1 | 3 |
| 117 | C(CCC1CC2CCCCC2C1)CC1CCCC1 | 3 |
| 118 | C(C1CCC1)C1CCC(C1)C1CCC(CC1)C1CCCCC1 | 3 |
| 119 | C(CCC1CCC(CC2CCC3CCCCC3C2)CC1)CC1CCCCC1 | 3 |
| 120 | C1CC2CC(CC2C1)C1CCCCC1 | 3 |
| 121 | C(CCC1CCCC1)CCC1CCC2CCCCC2C1 | 3 |
| 122 | C(CCC1CCCCC1)CCC1(CCCCC1)C1CCCCC1 | 3 |
| 123 | C(CCC1CCCCC1)CC1CCCC1C1CCCC1 | 3 |
| 124 | C(C1CCCCC1)C1CCC2CC(CC2C1)C1CCCCC1 | 3 |
| 125 | C(CC1CCCCC1)CC1CCC(CC1)C1CCCCC1 | 3 |
| 126 | C(CCC1CCCCC1)CC1CCCC1C1CCC(C1)C1CCC1 | 3 |
| 127 | C(CC1CCCC1)CC12CC3CC(C1)CC(CCCC1CCCCC1)(C3)C2 | 3 |
| 128 | C(CC1CCCC1)C1CCCC1 | 3 |
| 129 | C(CC1CC1)CC1CCCC1 | 3 |
| 130 | C(CC1CCC(CCC2CCCC3CCCCC23)CC1)C1CCCC1 | 3 |
| 131 | C(CC1CCC(CCC2CCC3CCCCC3C2)CC1)C1CCCC1 | 3 |
| 132 | C | 3 |
| 133 | C(CC1CCC1)CC1CCCC1 | 3 |
| 134 | C(CC1CCCC1)CC1CCCCCCC1 | 3 |
| 135 | C(CCCC1CC2CCCCC2C1)CCC1CCCC1 | 3 |
| 136 | C(C1CCCC1)C1CCCC(C1)C1CCCCC1 | 2 |
| 137 | C(CCC1CCCC(CC1)C1CCCCC1)CC1CCCCC1 | 2 |
| 138 | C(C1CC1)C1CCCC(C1)C1CCC(C1)C1CCCCC1 | 2 |
| 139 | C(CCCC1CCCC1)CCCC1CCC2CC(CC2C1)C1CCCCC1 | 2 |
| 140 | C(CC1CCCC(C1)C1CCCCC1)C1CC1 | 2 |
| 141 | C(CCC1CCCC(CC1)C1CC1)CC1CCCCC1 | 2 |
| 142 | C(CC1C2CC(CC12)C1CC2CCCCC2C1)CC1CCCC1 | 2 |
| 143 | C(CC1CCC(C1)C1CCCCC1)CC1CCCCC1 | 2 |
| 144 | C1CCC(C1)C1CCC2CCCC(C3CCCCC3)C2C1 | 2 |
| 145 | C(CCCC1CCCC1)CCCC1CCCC1 | 2 |
| 146 | C(CCCCCC1CCCCC1)CCCCC1CCCC1 | 2 |
| 147 | C(CC1CCCC1)CC1(CCC2CCCCC2)CCCC1 | 2 |
| 148 | C(CC1CCC(CCC2CCCC3CCCCC23)C1)C1CCCC1 | 2 |
| 149 | C(CCC1CCC(CC2CCC(CC2)C2CCCCC2)CC1)CC1CCCCC1 | 2 |
| 150 | C(CCC1CCCC1)CC1CCCC1 | 2 |
| 151 | C(CC1CCCC1)CC1CCCCC1C1CCCCC1 | 2 |
| 152 | C(CCC1CCCCC1)CC1CCCC1CCCC1CCCC1 | 2 |
| 153 | C(C1CC2CCCC2C1)C1CCCCC1 | 2 |
| 154 | C1CC2CCCCCCCCCCCCCCC3CCCC(C3)CCC2C1 | 2 |
| 155 | C(CC1CCCC1)CC1CC2CCCCC2C1 | 2 |
| 156 | C(CC1CC1)CC1CCC(CCCC2CCCC2)CC1 | 2 |
| 157 | C(CC1CCCC1)CC1CCC(CCCC2CCCC2)CC1 | 2 |
| 158 | C(CC1CCCC1)CC1CC2CC(CC3CCCCC3)CC2C1 | 2 |
| 159 | C1CCC2CCCCC2C1 | 2 |
| 160 | C(CC1CCC(CC1)C1CCC2CCCC2C1)C1CCCCC1 | 2 |
| 161 | C(CC1CCC(CC1)C1CCCC1)C1CCCCC1 | 2 |
| 162 | C1CC2CCC(CC2C1)C1CCCC(C1)C1CCC(C1)C1CCCCC1 | 2 |
| 163 | C(CC1CCC(CCC2CCC(CC2)C2CCCC2)CC1)C1CCCCC1 | 2 |
| 164 | C(CC1CCCC1)CC1CCCCCC1 | 2 |
| 165 | C(C1CCCCC1)C1CCCC(C1)C1CCCCC1 | 2 |
| 166 | C(CC1CCCC1)CC1CC2CCC1C2 | 2 |
| 167 | C(CCC1CCCCC1)CC1CCCC1CCCC1CCC2CCCC2C1 | 2 |
| 168 | C(CCC1CCCCC1)CC1CCCC1CCCC1CCC2CCCCC2C1 | 2 |
| 169 | C(C1CCCC1)C1CCCCC1 | 2 |
| 170 | C(C1CCCC1)C1CCC(C1)C1CCCC2CCCCC12 | 2 |
| 171 | C(CCC1CCC2CCCC2C1CC1CC1)CC1CCCCC1 | 2 |
| 172 | C(C1CCCC1)C1CCC(CC2CCCC2)C1 | 2 |
| 173 | C(CCC1CCCC1CC1CCCC1)CCC1CCCCC1 | 2 |
| 174 | C(C1CCC1)C1CCC(CC2CCCC2)C1 | 2 |
| 175 | C(CCCC1CCCC1)CCCC1CCC2CCCCC2C1 | 2 |
| 176 | C(CCC1CCC2C(CCC2C2CC2)C1)CC1CCCCC1 | 2 |
| 177 | C(C1CCC2CCCC2C1)C1CCC2CCCCC2C1 | 2 |
| 178 | C(C1CCC2CC(CC2C1)C1CCCCC1)C1CC2CCCCC2CC2CCCCC12 | 2 |
| 179 | C1C(CC2CCCCC12)C1CCC(CC1)C1CCCCC1 | 2 |
| 180 | C(C(CC1CCCCC1)C1CCC(CC2CCCC2)C1)C1CCCCC1 | 2 |
| 181 | C(C1C2CC(CC3CCCC4CCCCC34)CCC2CC1C1CCCCC1)C1CCCCC1 | 2 |
| 182 | C(CC1CCCC1)CC1CCC(CC1)C1CCCC(C1)C1CCCCC1 | 1 |
| 183 | C(C1CCC1)C1CCCC1 | 1 |
| 184 | C(C1CCCCC1)C1CC2CC(CC2CC1C1CCCCC1)C1CCCCC1 | 1 |
| 185 | C(CC1CCC(CC1)C1CCC(CC1)C1CCC(CC1)C1CCCCC1)C1CCCCC1 | 1 |
| 186 | C(C1CCCCC1)C1CCCCC1CC1CCCCCC1 | 1 |
| 187 | C(C1CCCC1)C1CCCCC1C1CCCCC1 | 1 |
| 188 | C(CC1CCC(CC2CCCCC2)C1)C1CCCC1 | 1 |
| 189 | C(CC1CCCC1)CC1CCC(CCC2CC2)CC1 | 1 |
| 190 | C(C1CCCCC1)C1CC2CCC(CC2CC1C1CCCCC1)C1CCCCC1 | 1 |
| 191 | C(C1CCCCC1)C1CCC(CC1C1CCCCC1)C1CCCCC1 | 1 |
| 192 | C(CCCC1CCCCCC1)CCC1CCCC1 | 1 |
| 193 | C(CCCC1C2CCC1CC2)CCC1CCCC1 | 1 |
| 194 | C(CCC1CCC(CC2CCCC(C2)C2CCCCC2)CC1)CC1CCCCC1 | 1 |
| 195 | C(CCCC1CCCC1)CCC1CC1C1CCCCC1 | 1 |
| 196 | C(CCC1CCC(CC1)C(C1CCCCC1)C1CCCCC1)CC1CCCCC1 | 1 |
| 197 | C(CC1CCCC1)CC1CCC(CCCC2CCC3CCCCC3C2)CC1 | 1 |
| 198 | C(CCC1CCC(CC1)C1CCCCC1C1CCCCC1)CC1CCCCC1 | 1 |
| 199 | C(CC1CCCC1)CC1CCC(CCCC2CC3CCCCC3C2)CC1 | 1 |
| 200 | C(CC1CCCC1)CC1CC2CC(CC3CCCC3)CC2C1 | 1 |
| 201 | C1CC2CCCCCCCCCCCCCCCCCCCCC3CCCC(C3)CCC2C1 | 1 |
| 202 | C(CCCC1CCC(CC1)C1CCCCC1)CCC1CCCC1 | 1 |
| 203 | C(C1CCCC1)C1CCC(C1)C1CCC(CC1)C1CCC2CCCCC2C1 | 1 |
| 204 | C(CCC1CCC(CC2CCCC2)CC1)CC1CCCCC1 | 1 |
| 205 | C(CC1CCCC1)CC1CC2CC(CCCC3CCCCC3)CC2C1 | 1 |
| 206 | C(CCCC1CCC(CC1)C1CC2CCCCC2C1)CCC1CCCC1 | 1 |
| 207 | C(CCC1CCCCC1)CCC1CCC(CC(CC2CCC(CCCCCC3CCCCC3)CC2)C2CCCC2CC2CCCC2)CC1 | 1 |
| 208 | C(CC1CC2CCCCC2C1)C1CCC(CC2CCCC2)C1 | 1 |
| 209 | C(C1CC2CCCCC2C1)C1CCC2CC(CC2C1)C1CCCCC1 | 1 |
| 210 | C(CC1CCCCC1)C1CCCC1CC1CCCC1 | 1 |
| 211 | C(C1CCCC1)C1CCCC1CC1CC2CCCCC2C1 | 1 |
| 212 | C(C1CCCC1)C1CCC(CC2CCC(CC2)C2CCC(C2)C2CCCCC2)C1 | 1 |
| 213 | C(CCC1CCC(CC2CCC3CCCCC23)CC1)CC1CCCCC1 | 1 |
| 214 | C(CC1CCCCC1)C1CCCC1CC1CC2CCCCC2C1 | 1 |
| 215 | C(CCC1CCCC1CCC1CCCCC1)CC1CCCC1 | 1 |
| 216 | C(CC1CCCCC1)C1CCC1CC1CCCC1 | 1 |
| 217 | C(CC1CCCCC1)C1CCC1CC1CC2CCCCC2C1 | 1 |
| 218 | C(CCC1CCC(CCC2CCCCC2)CC1)CC1CCCCC1 | 1 |
| 219 | C(C1C2CC(CC3CCCC4CCCCC34)CCC2CC1C1CCCCCC1)C1CCCCC1 | 1 |
| 220 | C(CC1CCC2CC(CC2C1)C1CCCCCC1)C1CCCCC1 | 1 |
| 221 | C(CCCC1CCC(CC2CCCCC2)CC1)CCC1CCCC1 | 1 |
| 222 | C(CCC1CCCCCC1CC1CCCC1)CC1CCCCC1 | 1 |
| 223 | C(CC1CCCC1)CC1CCC(CC1)C1CCCC(CC2CC2)C1 | 1 |
| 224 | C(C1CCCC1)C1CCC(CC2CCCC(CC2)C2CCCC2)C1 | 1 |
| 225 | C(C1CC2CCCCC2C1)C1CCC2CC(CC2C1)C1CCCCCC1 | 1 |
| 226 | C(CCC1CCCCC1CCC1CCCC1)CC1CCCCC1 | 1 |
| 227 | C(CC1CCC(CCC2CCCCC2)CC1)C1CCC2CCCCC12 | 1 |
| 228 | C(CC1CCC(CC1)C(CC1CCCC1)CC1CCCCC1)C1CCCCC1 | 1 |
| 229 | C1C(CC2CC(CCC12)C1CCCCC1)C1CCCCC1 | 1 |
| 230 | C1CCC(C1)C1CCC(C1)C1CCCC(C1)C1CCCCC1 | 1 |
| 231 | C(C1CCCC1)C1CCC2CC(CCC2C1)C1CCCC(C1)C1CCCC1 | 1 |
| 232 | C(CCC1CCCCC1)CC1CCCC1CCCC1CCC(CCCC2CCCCC2)CC1 | 1 |
| 233 | C(C1CCC2CCC(CC12)C1CCCCC1)C1CCCCC1 | 1 |
| 234 | C(CCC1CCCC2CCCC12)CC1CCCCC1 | 1 |
| 235 | C(CC1CCC1)CC1CCC(CC1)C1CCC2CCCC2C1 | 1 |
| 236 | C(CC1CCCC(C1)C1CCCCC1)C1CCCC1 | 1 |
| 237 | C(C1CC2CCCCC2C1)C1CCCC1CC1CC2CCCCC2C1 | 1 |
| 238 | C(CCC1CCCC1CCCC1CCCCC1)CC1CCCC1 | 1 |
| 239 | C(CCC1CCCC1)CC(CCC1CCCC1)CC1CCCCC1 | 1 |
| 240 | C(CC1CCCC1)C1CC1 | 1 |
| 241 | C1CCC(C1)C1CCC(C1)C1CCCC(C1)C1CCC2CCCC2C1 | 1 |
| 242 | C(C1CCCC1)C1CC2CCCCC2C1 | 1 |
| 243 | C(CCC1CCCC(CCCCC2CCCCC2)CC1)CC1CCCCC1 | 1 |
| 244 | C(CCCC1CCCC1CCCCC1CCCCC1)CCC1CCCC1 | 1 |
| 245 | C(CCC1CCC(CC2CCCCC2)CC1)CC1CCCC1 | 1 |
| 246 | C(C1CCCC1)C1CCC(CC2CCC3CCCC3C2)C1 | 1 |
| 247 | C(CCC1CCCCC1CC1CCCC1)CC1CCCCC1 | 1 |
| 248 | C(CCC1CCC(CC2CCCCC2)CC1CC1CCCCC1)CC1CCCCC1 | 1 |
| 249 | C(CC12CC3CC(CC(C3)C1)C2)C1CCC2CC12 | 1 |
| 250 | C(CCC1CCC(CC1)C1CCCCC1)CC1CCCC1 | 1 |
| 251 | C(CCC(CC1CCCCC1)C1CCCCC1)CCC1CCCC1 | 1 |
| 252 | C(CCC1CCC2CCCC2C1C1CC1)CC1CCCCC1 | 1 |
| 253 | C(CCC1CCC2C(CC3CCCCC3)CCC2C1)CC1CCCCC1 | 1 |
| 254 | C(CCC1CCC2CCC(CC3CCCCC3)C2C1)CC1CCCCC1 | 1 |
| 255 | C(CC1CCCC1)C(CC1CCC1)C1CCC(CC1)C1CCCCC1 | 1 |
| 256 | C(CCCC(C1CCCCC1)C1CCCCC1)CCCC1CCCC1 | 1 |
| 257 | C(CC1CCCC1)C(CCC1CCCC1)C1CCC(CC1)C1CCCCC1 | 1 |
| 258 | C(C1CCCC1)C1CCC(C1)C1CCC(CC1)C1CCC2CCCCC12 | 1 |
| 259 | C(CCCC1CC1C1CCCC1)CCCC1CCCC1 | 1 |
| 260 | C1CCC(C1)C1CCC2CCCCC12 | 1 |
| 261 | C(C1CCCC1)C1CCC2CCCCC2C1 | 1 |
| 262 | C(CCC1CCCCC1C1CCCCC1)CC1CCCCC1 | 1 |
| 263 | C(CC1CCCC1)C(CC1CCCC1)C1CCC(CC1)C1CCCCC1 | 1 |
| 264 | C1C2CCCCC2C2CCCC(C12)C1CCCCC1 | 1 |
| 265 | C(CCC(CC1CCCCC1)CC1CCCCC1)CCC1CCCC1 | 1 |
| 266 | C(C1CCCC1)C1CCC(C1)C1CCCC1 | 1 |
| 267 | C(C1CCCC1)C1CCC(C1)C1CCC(CC1)C(C1CCCCC1)C1CCCCC1 | 1 |
| 268 | C(C1CCCC1)C1CCC(C1)C1CCCC(CC1)C1CCCCC1 | 1 |
| 269 | C(CC1CCCC1)CC1(CCC1)C1CCCCC1 | 1 |
| 270 | C(C1CCCC1)C1CCC(C1)C1CCC(CC2CCCCC2)CC1 | 1 |
| 271 | C(CCC1CCC2CCCCC2C1)CC1CCCCC1 | 1 |
| 272 | C(CCCC1CCCC1)CCCC1CCC(CC1)C1CCCCC1 | 1 |
| 273 | C(C1CCCC1)C1CCC(C1)C1CC2CCCCC2C1 | 1 |
| 274 | C(C1CCCC1)C1CCC(C1)C1C2CC3CC(C2)CC1C3 | 1 |
| 275 | C(C1CCCC1)C1CCC(CC2CCCCCCC2)C1 | 1 |
| 276 | C(C1CCCC1)C1CCC(CC2CCCCCC2)C1 | 1 |
| 277 | C1CC(C2CC(CCC12)C1CCC(CC1)C1CCCCC1)C1CCCCC1 | 1 |
| 278 | C(CC1CCCC1)CC1CCCCCCCCC1 | 1 |
| 279 | C1CC1C1CCCC2CCC(CC12)C1CCC(CC1)C1CCCCC1 | 1 |
| 280 | C(CCC1CCC2CCCCC2C1CC1CCCCC1)CC1CCCC1 | 1 |
| 281 | C1CC1C1CC2CCC(CC2C1)C1CCC(CC1)C1CCCCC1 | 1 |
| 282 | C(CC1CCCC1)CC12CCC(CC1)CC2 | 1 |
| 283 | C1CCC2C(C1)CCC1CCCCC21 | 1 |
| 284 | C(CC1CCCC1)CC1CCC(CC1)C1CCCC(C1)C1CCC(C1)C1CC1 | 1 |
| 285 | C(CC1CCCC1)CC12CC3CC1CC(C2)C3 | 1 |
| 286 | C(CC1CCCC1)CC1CC2CC1CCC2 | 1 |
| 287 | C1CC1C1CCC2CC(CC2C1)C1CCC(CC1)C1CCCCC1 | 1 |
| 288 | C(CC1CC1)C(CCC1CCCC1)C1CCC(CC1)C1CCCCC1 | 1 |
| 289 | C(CC1CCCCC1)C1CC2CCCC2C1 | 1 |
| 290 | C1CCC(C1)C1CC2CCCC2C1 | 1 |
| 291 | C(CC1CCCC1)C(C1CCCC1)C1CCC(CC1)C1CCCCC1 | 1 |
| 292 | C(CCC1CCCCC1)CC1CCCC1CCCC1CCC1 | 1 |
| 293 | C(CCC1CCCCC1)CC1CCCC1CCC1CC1 | 1 |
| 294 | C(CC1CCCC1)CC1CC2CC(C2)C1 | 1 |
| 295 | C(CC1CCC(CC2CCC3CCCCC23)CC1)C1CCCCC1 | 1 |
| 296 | C(CC1CCCC1)CC1CCCCCCCCCCC1 | 1 |
| 297 | C(CC1CCC(CC2CCC3CCCC3C2)CC1)C1CCCCC1 | 1 |
| 298 | C(CC1CCC(CC2CCC3CCCCC3C2)CC1)C1CCCCC1 | 1 |
| 299 | C(CCC1CC2CC(C2)C1)CC1CCCC1 | 1 |
| 300 | C(CC1CCCC1)CC1CCC(CCCC23CC4CC(CC(C4)C2)C3)CC1 | 1 |
| 301 | C1CC1C1CCCC(C1)C1CCC2C(CCC3CCCCC23)C1 | 1 |
| 302 | C(CCC1CCCC1)CCC1CCC(CCCC2CCCC2)CC1 | 1 |
| 303 | C(CC1CCCC1)CC1CCC(CCCC2CCC3CCCC3C2)CC1 | 1 |
| 304 | C(CCC1CCC(CCCC2CCCC2)CC1)CC1CCCCC1 | 1 |
| 305 | C1CCC2C(C1)CCC1CC(CCC21)C1CCCCCC1 | 1 |
| 306 | C(CCC12CC3CC(CC(C3)C1)C2)CC1CCCC1 | 1 |
| 307 | C(CC1CCCC1)CC1CCC(CC2CC3CCCCC3C2)CC1 | 1 |
| 308 | C(CCC1CCCCC1)CC1CCCC1C1CCC(CC2CC2)C1 | 1 |
| 309 | C(CC1CCCC1)CC1CCC(CC1)C1CC2CCCCC2C1 | 1 |
| 310 | C(CCC1CCCCC1)CC1CCCC1C1CCC(C1)C1CCCC1 | 1 |
| 311 | C(CCC1CCC2CCCCC2C1)CC1CCC(CCC2CCCC2)CC1 | 1 |
| 312 | C(CCC1CCCC2CCCCC12)CC1CCC(CCC2CCCC2)CC1 | 1 |
| 313 | C(CCC1CCCC1)CCC1CCC(CC1)C1CCCCC1 | 1 |
| 314 | C(CCC1CCCC1)CCC1CCC2CC(CC2C1)C1CCCCC1 | 1 |
| 315 | C(CCC(C1CCCCC1)C1CCCCC1)CCC1CCCC1 | 1 |
| 316 | C(CCC1CCCC(CC2CCCC2)CC1)CC1CCCCC1 | 1 |
| 317 | C(CC1C2CC(CC12)C1CCC2CCCCC2C1)CC1CCCC1 | 1 |
| 318 | C(CC1C2CC(CC12)C1CCCC1)CC1CCCC1 | 1 |
| 319 | C(CCC1CCCC(CC2CCC3CCCC3C2)CC1)CC1CCCCC1 | 1 |
| 320 | C(CCC1CCCC(CCC2CCCCC2)CC1)CC1CCCCC1 | 1 |
| 321 | C(CCC1CCCC(CCCC2CCCCC2)CC1)CC1CCCCC1 | 1 |
| 322 | C(CCC1CCCC2CCCCC12)CC1CCCC1 | 1 |
| 323 | C(CCC1CCCCC1)CCC1(CCCCC1)C1CCCC1 | 1 |
| 324 | C(CCC1CCCCC1)CCC1(CCCCC1)C1CC2CCC(CCCC3CCCCC3)CC2C1 | 1 |
| 325 | C(CC1CCC2CC(CC2C1)C1CCC2CCCC12)C1CCCCC1 | 1 |
| 326 | C(CC1CCCC1)C(C1CCCCC1)C1CCCCC1 | 1 |
| 327 | C(CCC1CCCCC1)CCC1(CCC(CC2CCCCC2)CC1)C1CCCCC1 | 1 |
| 328 | C1CCCCCC1 | 1 |
| 329 | C1CCCCC1 | 1 |
| 330 | C(CC1CCC2CCCC2C1)C1CCCC1 | 1 |
| 331 | C(C1CCCC1)C1CC2CCC1C2 | 1 |
| 332 | C(CCC1CCCC1)CCC1CCC2CCCCC12 | 1 |
Abbreviation: SMILEs, simplified molecular-input line-entry system.