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Batey Lab - Toronto
Wood Lab - Winnipeg
The West Group - Alberta

Name Chemical reaction
Imides
Aminothiatriazoles
Aminotetrazoles
Truce-Smiles
[2+2]-cycloaddition
[4+2]-cycloaddition
Molecule MW LogP HBA HBD RotB TPSA Fsp3 QED Reagent A Reagent B
372.646 3.46 3 0 4 54.45 0.4 0.761 34540399 230169684
372.646 3.46 3 0 4 54.45 0.4 0.761 35633021 230169684
386.189 3.411 3 0 5 54.45 0.417 0.729 51943786 47706596
372.646 3.46 3 0 5 54.45 0.4 0.744 71619082 230169684
354.244 3.491 3 1 7 63.24 0.438 0.763 2563425 71498
351.255 3.492 4 1 7 76.13 0.538 0.763 2563425 1737196
330.837 3.462 4 0 7 67.34 0.571 0.718 2563425 156474
354.244 3.409 3 1 6 63.24 0.438 0.797 62268620 45937
354.244 3.409 3 1 5 63.24 0.438 0.825 67799112 45937
354.244 3.443 3 0 6 54.45 0.438 0.736 62268620 5510466
354.244 3.443 3 0 5 54.45 0.438 0.761 67799112 5510466
354.244 3.443 3 0 6 54.45 0.438 0.736 62268620 173185
354.244 3.443 3 0 5 54.45 0.438 0.761 67799112 173185
354.244 3.443 3 0 6 54.45 0.438 0.736 62268620 4551112
354.244 3.443 3 0 5 54.45 0.438 0.761 67799112 4551112
351.255 3.492 4 1 7 76.13 0.538 0.763 2563425 34484748
417.097 3.473 3 1 4 63.24 0.4 0.764 575423925 2567861
330.211 3.484 3 0 5 54.45 0.4 0.777 391991 5905986
330.211 3.484 3 0 5 54.45 0.4 0.777 895089 5905986
309.793 3.477 3 0 6 54.45 0.438 0.756 391991 30347
309.793 3.477 3 0 6 54.45 0.438 0.756 391991 30348
354.244 3.443 3 0 6 54.45 0.438 0.736 391991 30388
309.793 3.477 3 0 6 54.45 0.438 0.756 391991 30948
328.195 3.494 3 0 5 54.45 0.4 0.778 95635153 37709
309.793 3.477 3 0 6 54.45 0.438 0.756 895089 30347
309.793 3.477 3 0 6 54.45 0.438 0.756 895089 30348
354.244 3.443 3 0 6 54.45 0.438 0.736 895089 30388
309.793 3.477 3 0 6 54.45 0.438 0.756 895089 30948
309.793 3.478 3 0 7 54.45 0.438 0.725 95635153 5419826
328.195 3.494 3 0 5 54.45 0.4 0.778 901313 37709
309.793 3.478 3 0 7 54.45 0.438 0.725 901313 5419826
376.634 3.491 4 1 4 76.38 0.5 0.816 1680558 96509865
354.244 3.409 3 1 6 63.24 0.438 0.797 62268620 28278335
309.431 3.439 3 0 4 54.45 0.562 0.801 391991 13331799
309.431 3.439 3 0 4 54.45 0.562 0.801 391991 13331800
358.232 3.425 4 0 4 67.59 0.533 0.774 391991 13744780
358.232 3.425 4 0 4 67.59 0.533 0.774 391991 13744782
332.809 3.434 5 0 4 76.57 0.538 0.789 95635153 95635207
354.244 3.409 3 1 5 63.24 0.438 0.825 67799112 28278335
309.431 3.439 3 0 4 54.45 0.562 0.801 895089 13331799
309.431 3.439 3 0 4 54.45 0.562 0.801 895089 13331800
358.232 3.425 4 0 4 67.59 0.533 0.774 895089 13744780
358.232 3.425 4 0 4 67.59 0.533 0.774 895089 13744782
332.809 3.434 5 0 4 76.57 0.538 0.789 901313 95635207
309.793 3.477 3 0 6 54.45 0.438 0.756 391991 383522
309.793 3.477 3 0 6 54.45 0.438 0.756 391991 383523
311.765 3.445 4 0 5 63.68 0.4 0.781 95635153 384815
309.793 3.477 3 0 6 54.45 0.438 0.756 895089 383522
309.793 3.477 3 0 6 54.45 0.438 0.756 895089 383523
311.765 3.445 4 0 5 63.68 0.4 0.781 901313 384815
309.431 3.409 3 0 6 54.45 0.562 0.757 1577660 5916258
376.634 3.491 4 1 5 76.38 0.5 0.798 2518220 96509865
309.793 3.477 3 0 5 54.45 0.438 0.782 391991 2774385
309.793 3.477 3 0 5 54.45 0.438 0.782 391991 2774440
330.211 3.484 3 0 5 54.45 0.4 0.777 1690966 5900026
328.195 3.494 3 0 5 54.45 0.4 0.778 95635153 2767451
346.235 3.462 4 0 3 54.45 0.357 0.787 391991 444487
346.235 3.462 4 0 3 54.45 0.357 0.787 391991 444488
346.235 3.462 4 0 3 54.45 0.357 0.787 391991 444489
346.235 3.462 4 0 3 54.45 0.357 0.787 391991 444490
309.793 3.477 3 0 6 54.45 0.438 0.756 391991 455619
309.793 3.477 3 0 5 54.45 0.438 0.782 895089 2774385
309.793 3.477 3 0 5 54.45 0.438 0.782 895089 2774440
332.183 3.458 4 0 5 63.68 0.357 0.775 391991 474084
328.195 3.494 3 0 5 54.45 0.4 0.778 901313 2767451
332.183 3.458 4 0 5 63.68 0.357 0.775 95635153 473605
358.232 3.426 4 0 7 67.59 0.533 0.701 95635153 475257
346.235 3.462 4 0 3 54.45 0.357 0.787 895089 444487
346.235 3.462 4 0 3 54.45 0.357 0.787 895089 444488
346.235 3.462 4 0 3 54.45 0.357 0.787 895089 444489
346.235 3.462 4 0 3 54.45 0.357 0.787 895089 444490
309.793 3.477 3 0 6 54.45 0.438 0.756 895089 455619
332.183 3.458 4 0 5 63.68 0.357 0.775 895089 474084
354.244 3.442 3 0 5 54.45 0.438 0.761 1690966 29880
332.183 3.458 4 0 5 63.68 0.357 0.775 901313 473605
358.232 3.426 4 0 7 67.59 0.533 0.701 901313 475257
346.235 3.462 4 0 3 54.45 0.357 0.787 391991 129504
346.235 3.462 4 0 3 54.45 0.357 0.787 391991 129506
346.235 3.462 4 0 3 54.45 0.357 0.787 391991 129510
346.235 3.462 4 0 3 54.45 0.357 0.787 391991 129512
346.235 3.463 4 0 4 54.45 0.357 0.784 95635153 99919
346.235 3.463 4 0 4 54.45 0.357 0.784 95635153 99920
354.244 3.443 3 0 6 54.45 0.438 0.736 95635153 101491
309.793 3.477 3 0 6 54.45 0.438 0.756 95635153 126143
309.793 3.477 3 0 6 54.45 0.438 0.756 95635153 126145
309.793 3.477 3 0 6 54.45 0.438 0.756 95635153 126188
309.793 3.477 3 0 6 54.45 0.438 0.756 95635153 126190
346.235 3.462 4 0 3 54.45 0.357 0.787 895089 129504
346.235 3.462 4 0 3 54.45 0.357 0.787 895089 129506
346.235 3.462 4 0 3 54.45 0.357 0.787 895089 129510
346.235 3.462 4 0 3 54.45 0.357 0.787 895089 129512
346.235 3.463 4 0 4 54.45 0.357 0.784 901313 99919
346.235 3.463 4 0 4 54.45 0.357 0.784 901313 99920
354.244 3.443 3 0 6 54.45 0.438 0.736 901313 101491
309.793 3.477 3 0 6 54.45 0.438 0.756 901313 126143
309.793 3.477 3 0 6 54.45 0.438 0.756 901313 126145
309.793 3.477 3 0 6 54.45 0.438 0.756 901313 126188
309.793 3.477 3 0 6 54.45 0.438 0.756 901313 126190
311.765 3.447 4 0 6 63.68 0.4 0.755 2512481 71774141
372.646 3.46 3 0 5 54.45 0.4 0.744 39169788 616116