SMILES
stringlengths 16
156
| Ki
float64 -4.8
1.85
|
|---|---|
COc1ccccc1N1CCN(CCCCCCN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C2=O)CC1
| -0.60206
|
O=C1c2ccccc2C(=O)N1CCCCCCN1CCN(c2nsc3ccccc23)CC1
| -1.255273
|
O=c1n(CCCCCCN2CCN(c3nsc4ccccc34)CC2)nc2ccccn12
| -1.041393
|
O=c1oc2ccccc2n1CCCCCCN1CCN(c2nsc3ccccc23)CC1
| -0.69897
|
c1ccc2oc(SCCCCCCN3CCN(c4nsc5ccccc45)CC3)nc2c1
| -1
|
O=C1CCc2cc(OCCCCCCN3CCN(c4nsc5ccccc45)CC3)ccc2N1
| -1.30103
|
O=C1c2cccc3cccc(c23)N1CCCCCCN1CCN(c2nsc3ccccc23)CC1
| -1.851258
|
O=S1(=O)c2cccc3cccc(c23)N1CCCCCCN1CCN(c2nsc3ccccc23)CC1
| -1.799341
|
O=C1c2cccc3cccc(c23)C(=O)N1CCCCCCN1CCN(c2nsc3ccccc23)CC1
| -1.934498
|
O=c1n(CCCCCCN2CCN(c3nsc4ccccc34)CC2)c2cccc3c2n1CCC3
| -1.643453
|
O=S(=O)(c1ccccc1)N(CCCCCCN1CCN(c2nsc3ccccc23)CC1)c1cccc(C(F)(F)F)c1
| -1.623249
|
Cc1ccc(S(=O)(=O)N(CCCCCCN2CCN(c3nsc4ccccc34)CC2)c2ccccc2)cc1
| -1.50515
|
O=c1[nH]c2ccccc2n1CCCCCCN1CCN(c2nsc3ccccc23)CC1
| -1.20412
|
O=C(NCCCCCCN1CCN(c2nsc3ccccc23)CC1)c1ccccc1
| -1.342423
|
O=S(=O)(NCCCCCCN1CCN(c2nsc3ccccc23)CC1)c1ccccc1
| -0.90309
|
O=S(=O)(NCCCCCCN1CCN(c2nsc3ccccc23)CC1)c1cccc2ccccc12
| -1.591065
|
O=S(=O)(NCCCCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc2ccccc2c1
| -1.863323
|
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