SMILES
stringlengths 18
150
| Ki
float64 -4.86
1.89
|
|---|---|
FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12
| -3.986772
|
CC(C)CCO[C@H]1[C@H]2CCN(CCc3ccc4ccccc4c3)CCCCCCOCc3cn(nn3)C[C@@H](O2)[C@@H]2OC(C)(C)O[C@H]12
| -3.531479
|
COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1
| -2.469822
|
CCCN(CC[C@]1(O)C[C@H](NC(=O)c2ccc3ccccc3c2)C1)[C@H]1CCc2nc(N)sc2C1
| -1.50515
|
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