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Framework analysis of results

1) Bioisostere 1 is the representative of the cluster containing 18 molecules with same framework

(list of bioisosteres: 1 2 7 32 40 103 124 147 149 175 177 190 198 241 247 299 314 320) cluster-1.sdf

2) Bioisostere 3 is the representative of the cluster containing 2 molecules with same framework

(list of bioisosteres: 3 18) cluster-2.sdf

3) Bioisostere 4 is the representative of the cluster containing 22 molecules with same framework

(list of bioisosteres: 4 13 19 21 24 25 30 53 91 101 109 110 121 122 135 151 152 159 166 250 251 258) cluster-3.sdf

4) Bioisostere 5 is the representative of the cluster containing 3 molecules with same framework

(list of bioisosteres: 5 34 280) cluster-4.sdf

5) Bioisostere 6 is the representative of the cluster containing 31 molecules with same framework

(list of bioisosteres: 6 9 12 20 26 27 29 39 41 44 52 70 72 92 102 116 128 137 156 169 193 222 225 245 259 262 268 287 339 350 369) cluster-5.sdf

6) Bioisostere 8 is the representative of the cluster containing 28 molecules with same framework

(list of bioisosteres: 8 14 15 16 17 23 31 33 37 45 47 48 56 57 58 62 69 97 139 161 171 185 232 252 286 303 334 366) cluster-6.sdf

7) Bioisostere 10 is the representative of the cluster containing 15 molecules with same framework

(list of bioisosteres: 10 22 28 38 46 50 55 66 81 83 111 129 134 157 182) cluster-7.sdf

8) Bioisostere 11 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 11) cluster-8.sdf

9) Bioisostere 35 is the representative of the cluster containing 72 molecules with same framework

(list of bioisosteres: 35 51 61 65 67 73 76 82 96 106 113 117 123 126 131 132 143 146 170 174 176 179 184 197 201 211 221 227 228 230 231 233 234 239 248 249 255 261 264 266 267 269 273 277 282 283 288 290 293 297 302 305 308 312 313 317 321 324 329 332 335 336 342 347 351 357 364 367 368 370 372 373) cluster-9.sdf

10) Bioisostere 36 is the representative of the cluster containing 3 molecules with same framework

(list of bioisosteres: 36 98 349) cluster-10.sdf

11) Bioisostere 42 is the representative of the cluster containing 42 molecules with same framework

(list of bioisosteres: 42 64 71 77 80 86 93 100 104 105 119 120 125 130 136 155 164 167 181 191 194 196 203 209 237 243 256 260 279 292 298 307 315 325 328 352 353 354 358 359 361 371) cluster-11.sdf

12) Bioisostere 43 is the representative of the cluster containing 65 molecules with same framework

(list of bioisosteres: 43 59 60 79 85 89 90 94 95 108 112 114 115 133 138 150 153 160 162 163 172 173 178 180 183 186 187 188 189 192 200 202 204 207 212 213 214 220 223 226 238 242 244 246 253 254 265 274 275 284 285 289 296 300 304 327 330 331 338 340 344 348 356 360 362) cluster-12.sdf

13) Bioisostere 49 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 49) cluster-13.sdf

14) Bioisostere 54 is the representative of the cluster containing 2 molecules with same framework

(list of bioisosteres: 54 235) cluster-14.sdf

15) Bioisostere 63 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 63) cluster-15.sdf

16) Bioisostere 68 is the representative of the cluster containing 2 molecules with same framework

(list of bioisosteres: 68 205) cluster-16.sdf

17) Bioisostere 74 is the representative of the cluster containing 5 molecules with same framework

(list of bioisosteres: 74 218 291 322 337) cluster-17.sdf

18) Bioisostere 75 is the representative of the cluster containing 2 molecules with same framework

(list of bioisosteres: 75 294) cluster-18.sdf

19) Bioisostere 78 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 78) cluster-19.sdf

20) Bioisostere 84 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 84) cluster-20.sdf

21) Bioisostere 87 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 87) cluster-21.sdf

22) Bioisostere 88 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 88) cluster-22.sdf

23) Bioisostere 99 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 99) cluster-23.sdf

24) Bioisostere 107 is the representative of the cluster containing 5 molecules with same framework

(list of bioisosteres: 107 278 281 310 363) cluster-24.sdf

25) Bioisostere 118 is the representative of the cluster containing 5 molecules with same framework

(list of bioisosteres: 118 148 199 224 345) cluster-25.sdf

26) Bioisostere 127 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 127) cluster-26.sdf

27) Bioisostere 140 is the representative of the cluster containing 3 molecules with same framework

(list of bioisosteres: 140 168 301) cluster-27.sdf

28) Bioisostere 141 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 141) cluster-28.sdf

29) Bioisostere 142 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 142) cluster-29.sdf

30) Bioisostere 144 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 144) cluster-30.sdf

31) Bioisostere 145 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 145) cluster-31.sdf

32) Bioisostere 154 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 154) cluster-32.sdf

33) Bioisostere 158 is the representative of the cluster containing 2 molecules with same framework

(list of bioisosteres: 158 333) cluster-33.sdf

34) Bioisostere 165 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 165) cluster-34.sdf

35) Bioisostere 195 is the representative of the cluster containing 2 molecules with same framework

(list of bioisosteres: 195 365) cluster-35.sdf

36) Bioisostere 206 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 206) cluster-36.sdf

37) Bioisostere 208 is the representative of the cluster containing 3 molecules with same framework

(list of bioisosteres: 208 236 276) cluster-37.sdf

38) Bioisostere 210 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 210) cluster-38.sdf

39) Bioisostere 215 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 215) cluster-39.sdf

40) Bioisostere 216 is the representative of the cluster containing 2 molecules with same framework

(list of bioisosteres: 216 271) cluster-40.sdf

41) Bioisostere 217 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 217) cluster-41.sdf

42) Bioisostere 219 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 219) cluster-42.sdf

43) Bioisostere 229 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 229) cluster-43.sdf

44) Bioisostere 240 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 240) cluster-44.sdf

45) Bioisostere 257 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 257) cluster-45.sdf

46) Bioisostere 263 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 263) cluster-46.sdf

47) Bioisostere 270 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 270) cluster-47.sdf

48) Bioisostere 272 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 272) cluster-48.sdf

49) Bioisostere 295 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 295) cluster-49.sdf

50) Bioisostere 306 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 306) cluster-50.sdf

51) Bioisostere 309 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 309) cluster-51.sdf

52) Bioisostere 311 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 311) cluster-52.sdf

53) Bioisostere 316 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 316) cluster-53.sdf

54) Bioisostere 318 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 318) cluster-54.sdf

55) Bioisostere 319 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 319) cluster-55.sdf

56) Bioisostere 323 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 323) cluster-56.sdf

57) Bioisostere 326 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 326) cluster-57.sdf

58) Bioisostere 341 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 341) cluster-58.sdf

59) Bioisostere 343 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 343) cluster-59.sdf

60) Bioisostere 346 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 346) cluster-60.sdf

61) Bioisostere 355 is the representative of the cluster containing 1 molecules with same framework

(list of bioisosteres: 355) cluster-61.sdf



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