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MoleculeCat_No Mol_Weight ALogP H_Donors H_Acceptors Index
S14649 215.21 0.372 1 3 31
S133973 112.13 0.336 1 1 243
S136158 214.26 2.601 0 2 258
S136638 152.15 1.442 1 2 262
S166626 217.18 2.688 0 3 324
S23605 172.18 1.655 0 2 478
S24865 173.17 0.362 0 3 492
S205141 288.30 2.749 1 3 540
S213993 239.23 2.288 0 3 567
S220655 289.33 2.764 0 3 610
S232041 199.21 1.391 0 2 646
S232068 278.10 2.514 0 2 647
S232130 213.23 2.092 0 2 648
S232831 199.21 1.391 0 2 656
S235717 213.23 2.092 0 2 673
S235857 213.23 2.092 0 2 677
S236357 229.23 1.247 0 2 690
S236381 229.23 1.247 0 2 691
S236411 229.23 1.247 0 2 692
S243078 254.28 2.677 0 1 761
S245844 214.26 2.601 0 2 793
S263761 224.21 2.076 0 2 872
S269964 232.19 1.349 1 3 890
S277398 267.28 1.236 2 3 926
S280011 216.28 2.724 0 1 955
S31349 293.12 2.271 1 2 1094
S302872 281.13 -3.237 0 0 1210
S350729 228.20 2.67 2 3 1598
S365254 268.27 0.648 1 2 1920
S369101 268.27 1.827 0 2 1958
S371106 241.25 1.166 0 3 1979
S389609 165.15 0.31 0 3 2180
S391999 220.22 -0.21 2 1 2210
S43371 242.27 1.887 0 2 2290
S403652 294.33 1.217 2 3 2347
S406651 215.29 2.383 1 1 2360
S408727 294.33 1.217 2 3 2388
S416266 111.14 -6.e-003 1 1 2488
S426911 216.21 2.747 0 1 2590
S433918 174.58 1.758 0 2 2715
S450375 172.61 0.455 1 2 2912
S482315 188.22 2.549 0 0 3087
S482986 258.32 2.35 2 1 3088
S483877 284.23 2.098 2 1 3098
S487333 250.68 1.82 2 1 3130
S53865 251.30 1.437 1 2 3235
S508993 139.19 1.23 0 1 3364
S517658 217.22 1.91 1 3 3441
S522562 162.15 -0.115 0 3 3473
S531308 188.18 1.175 0 2 3544
S543063 213.19 1.98 0 3 3649
S546011 199.25 1.4 0 3 3667
S548529 195.17 -0.198 2 3 3684
S548596 177.16 2.1e-002 0 2 3686
S551201 224.15 0.971 1 3 3720
S551511 188.18 1.382 0 1 3725
S551554 204.25 2.607 0 1 3726
S552097 124.14 1.076 0 1 3737
S552186 204.25 2.607 0 1 3740
S558222 241.29 2.704 0 2 3785
S558273 228.24 2.525 0 2 3786
S592595 152.15 -0.141 1 2 4063
S593230 138.16 1.533 0 1 4069
S593346 138.21 2.804 0 0 4071
S602906 125.13 0.451 1 2 4233
S605913 252.65 1.105 3 3 4274
S606367 230.26 1.642 2 1 4282
S606480 230.26 1.642 2 1 4287
S606758 285.13 2.485 2 1 4293
S606863 216.24 1.156 2 1 4297
S606960 250.68 1.82 2 1 4301
S607320 222.28 1.438 2 1 4308
S607371 196.25 0.908 2 1 4310
S609307 215.25 2.599 0 2 4335
S609404 246.26 1.14 2 2 4341
S610003 264.71 2.307 2 1 4362
S610410 244.29 2.128 2 1 4374
S610577 246.26 1.14 2 2 4382
S610933 276.29 1.123 2 3 4396
S611697 284.23 2.098 2 1 4423
S611735 285.13 2.485 2 1 4425
S611786 285.13 2.485 2 1 4426
S612901 246.26 1.14 2 2 4448
S613592 230.26 1.642 2 1 4480
S615439 264.71 2.307 2 1 4518
S615587 201.22 2.25 0 2 4520
S615595 185.22 2.752 0 1 4521
S615617 205.64 2.93 0 1 4522
S616036 285.13 2.485 2 1 4528
S617288 236.29 1.078 2 1 4545
S633968 250.68 1.82 2 1 4721
S635421 185.22 2.752 0 1 4743
S636193 243.21 2.436 0 3 4749
S636347 264.71 2.307 2 1 4752
S636436 247.25 1.787 1 3 4755
S638250 251.67 2.468 1 2 4784
S638269 261.23 1.05 2 3 4785
S638366 251.67 2.468 1 2 4789
S638412 217.22 1.803 1 2 4790
S639052 266.29 2.064 2 1 4796
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