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MoleculeCat_No Mol_Weight ALogP H_Donors H_Acceptors Index
R111155 203.67 1.619 1 3 102
R112151 269.77 2.236 1 3 110
R129135 228.29 2.402 0 2 175
R129143 234.31 2.468 0 2 176
R129658 263.33 2.863 1 3 188
R129941 209.31 2.961 1 1 190
R131695 217.31 2.931 1 1 215
R150142 293.40 2.963 1 3 223
R156345 235.37 2.43 1 1 263
R157244 168.28 2.952 1 1 275
R165964 262.37 2.615 1 2 348
R169536 250.34 -9.2e-002 2 2 357
R174025 215.76 2.289 1 1 377
R174971 196.29 2.192 0 2 394
R178969 152.19 1.274 0 2 413
R179647 144.21 0.778 2 2 422
R180602 288.42 2.757 1 2 428
R180653 288.42 2.757 1 2 429
R181315 276.41 2.955 1 2 430
R181560 276.41 2.955 1 2 431
R182370 286.41 2.888 1 2 432
R187453 248.36 2.866 1 2 433
R188131 288.38 2.845 3 3 434
R188166 288.38 2.845 3 3 435
R188239 288.38 2.845 3 3 436
R188700 292.41 2.446 2 3 437
R188743 290.40 1.978 2 3 438
R190985 290.44 2.796 2 2 440
R193755 288.42 2.911 0 2 441
R193844 288.42 2.911 0 2 442
R194034 286.41 2.717 0 2 443
R194107 288.42 2.911 0 2 444
R194220 288.42 2.911 0 2 445
R194476 284.39 2.849 0 2 446
R201634 262.39 2.62 0 2 447
R227927 124.18 1.326 0 1 465
R228133 156.27 2.916 1 1 469
R229253 138.21 1.518 0 1 481
R231207 298.85 2.474 0 2 492
R238546 184.28 1.861 2 2 509
R238562 170.25 1.008 2 2 510
R238872 152.23 2.232 1 1 522
R239178 184.28 1.861 2 2 523
R260460 171.28 1.035 2 2 645
R265365 260.33 2.524 2 3 710
R265373 231.13 2.194 0 1 711
R267740 168.28 1.599 1 2 722
R276693 170.25 2.849 0 2 774
R277126 258.31 1.906 0 3 786
R277495 143.18 -1.313 2 3 793
R330388 222.31 2.333 1 2 935
R339547 251.28 0.901 3 2 965
R343250 221.34 2.639 1 1 992
R343455 207.31 2.183 1 1 1004
R343862 221.34 2.646 1 1 1021
R344737 249.31 1.764 2 3 1044
R344974 291.41 2.884 1 2 1055
R346837 299.37 1.612 2 3 1076
R356956 220.27 0.962 1 2 1116
R371602 248.28 2.971 1 3 1197
R371637 294.43 2.881 2 2 1199
R371726 183.29 2.828 1 1 1200
R371734 241.33 2.534 1 3 1201
R371785 183.29 2.431 1 1 1202
R371815 261.32 2.932 1 3 1203
R371823 233.31 2.929 1 2 1204
R372307 284.35 2.746 3 2 1209
R396826 232.28 2.073 1 3 1281
R397407 179.30 2.204 1 1 1293
R397695 178.18 -5.4e-002 0 2 1309
R397822 237.73 2.74 1 2 1314
R407496 290.38 2.785 1 3 1391
R415944 244.50 0.941 1 2 1493
R416452 209.33 2.597 0 2 1503
R425702 154.25 2.583 1 1 1567
R425729 170.25 1.442 2 2 1568
R426601 174.24 -0.179 3 3 1587
R433012 245.32 2.816 1 2 1694
R433403 245.32 2.816 1 2 1706
R434779 206.28 1.413 2 2 1750
R437751 289.37 2.909 1 3 1860
R448818 138.17 0.414 1 2 1900
R458546 258.32 2.318 1 3 1938
R458600 272.34 2.805 1 3 1939
R458783 279.72 2.852 1 3 1940
R462713 296.39 1.719 2 3 1969
R465844 216.28 2.8 1 3 2014
R465984 185.22 0.802 3 2 2017
R467456 247.33 2.983 1 2 2051
R521256 229.11 2.116 0 1 2191
R521329 278.39 0.943 0 3 2193
R521469 209.28 0.78 1 2 2194
R521477 277.40 2.638 1 2 2195
R521493 271.35 2.357 1 2 2196
R521507 285.38 2.843 1 2 2197
R521574 289.34 2.562 1 2 2198
R522562 218.22 0.498 0 3 2201
R522570 234.33 0.498 0 3 2202
R522716 254.39 1.025 0 3 2204
R522848 232.28 1.166 2 3 2207
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