p1
stringlengths 12
119
| p2
stringlengths 12
119
| Scaffold
stringlengths 2
69
| similarity
float64 0.5
1
|
|---|---|---|---|
CCCOc1cccc(N2CCN(CCCN3C(=O)CCc4c(Cl)cccc43)CC2)c1 | COc1ccc2c(c1)N(CCCN1CCN(c3cccc(Cl)c3)CC1)C(=O)CC2 | No | 0.883171 |
COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(C)c2)CC1 | COc1ccc2c(c1)N(CCCN1CCN(c3cccc(Cl)c3)CC1)C(=O)CC2 | No | 0.830812 |
COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 | COc1ccc2c(c1)N(CCCN1CCN(c3cccc(Cl)c3)CC1)C(=O)CC2 | No | 0.80343 |
CCOc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 | COc1ccc2c(c1)N(CCCN1CCN(c3cccc(Cl)c3)CC1)C(=O)CC2 | No | 0.876543 |
O=c1ccc2ccccc2n1CCCN1CCN(c2cccc(Cl)c2)CC1 | COc1ccc2c(c1)N(CCCN1CCN(c3cccc(Cl)c3)CC1)C(=O)CC2 | No | 0.538559 |
COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 | COc1ccc2c(c1)N(CCCN1CCN(c3cccc(Cl)c3)CC1)C(=O)CC2 | No | 0.811671 |
COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 | COc1cccc(N2CCN(CCCN3C(=O)CCc4c(OC)cccc43)CC2)c1 | No | 0.928371 |
Nc1cccc(N2CCN(CCCN3C(=O)CCc4c(Cl)cccc43)CC2)c1 | O=C1CCc2c(Cl)cccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1 | No | 0.982972 |
COc1ccc2c(c1)CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 | COc1ccc2c(c1)N(CCCN1CCN(c3cccc(Cl)c3)CC1)C(=O)CC2 | No | 0.876259 |
Cc1ccc(O)c(C(=O)NCCCN2CCC[C@@H]3CCCC[C@@H]32)c1 | Cc1ccc(O)c(C(=O)NCCCN2CCC(C)[C@@H]3CCCC[C@@H]32)c1 | No | 0.955734 |
Cc1ccc(O)c(C(=O)NCCCCN2[C@@H](C)CCC[C@H]2C)c1 | Cc1ccc(O)c(C(=O)NCCCN2CCC(C)[C@@H]3CCCC[C@@H]32)c1 | No | 0.774951 |
CCOc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 | O=C1CCc2c(Cl)cccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1 | No | 0.801068 |
COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(C)c2)CC1 | CC(C)Oc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 | No | 0.90327 |
COc1cccc(N2CCN(CCCN3C(=O)CCc4c(Cl)cccc43)CC2)c1 | COc1cccc(N2CCN(CCCN3C(=O)CCc4c(OC)cccc43)CC2)c1 | No | 0.834014 |
COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(O)c2)CC1 | COc1cccc(N2CCN(CCCN3C(=O)CCc4c(OC)cccc43)CC2)c1 | No | 1 |
COc1ccc2c(c1)CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 | COc1cccc(N2CCN(CCCN3C(=O)CCc4c(OC)cccc43)CC2)c1 | No | 0.793434 |
Nc1cccc(N2CCN(CCCN3C(=O)CCc4c(Cl)cccc43)CC2)c1 | COc1cccc(N2CCN(CCCN3C(=O)CCc4c(OC)cccc43)CC2)c1 | No | 0.75672 |
COc1cccc2c1ccc(=O)n2CCCN1CCN(c2cccc(Cl)c2)CC1 | CC(C)Oc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 | No | 0.592211 |
CCCOc1cccc(N2CCN(CCCN3C(=O)CCc4c(Cl)cccc43)CC2)c1 | CC(C)Oc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 | No | 0.868421 |
COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 | CC(C)Oc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 | No | 0.875654 |
Nc1cccc(N2CCN(CCCN3C(=O)CCc4c(Cl)cccc43)CC2)c1 | CC(C)Oc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 | No | 0.78329 |
CCOc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 | CC(C)Oc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 | No | 0.988904 |
O=c1ccc2ccccc2n1CCCN1CCN(c2cccc(Cl)c2)CC1 | CC(C)Oc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 | No | 0.540216 |
COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 | CC(C)Oc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 | No | 0.884211 |
COc1cccc(N2CCN(CCCN3C(=O)CCc4c(Cl)cccc43)CC2)c1 | CC(C)Oc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 | No | 0.856201 |
COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(O)c2)CC1 | CC(C)Oc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 | No | 0.915512 |
COc1ccc2c(c1)CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 | CC(C)Oc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 | No | 0.819389 |
COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 | O=C1CCc2c(Cl)cccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1 | No | 0.746114 |
O=c1ccc2ccccc2n1CCCN1CCN(c2cccc(Cl)c2)CC1 | O=C1CCc2c(Cl)cccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1 | No | 0.526115 |
CCOc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 | COc1cccc(N2CCN(CCCN3C(=O)CCc4c(OC)cccc43)CC2)c1 | No | 0.92577 |
Cc1ccc(O)c(C(=O)NCCCCN2CCC[C@@H]3CCCC[C@@H]32)c1 | Cc1ccc(O)c(C(=O)NCCCN2CCC(C)[C@@H]3CCCC[C@@H]32)c1 | No | 0.899408 |
COc1cccc(N2CCN(CCCN3C(=O)CCc4c(OC)cccc43)CC2)c1 | COc1ccc2c(c1)N(CCCN1CCN(c3cccc(Cl)c3)CC1)C(=O)CC2 | No | 0.844538 |
CC(C)Oc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 | COc1ccc2c(c1)N(CCCN1CCN(c3cccc(Cl)c3)CC1)C(=O)CC2 | No | 0.867028 |
COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 | COc1ccc2c(c1)N(CCCN1CCN(c3cccc(Cl)c3)CC1)C(=O)CC2 | No | 0.894811 |
O=C1CCc2c(Cl)cccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1 | COc1ccc2c(c1)N(CCCN1CCN(c3cccc(Cl)c3)CC1)C(=O)CC2 | No | 0.828612 |
CCCOc1cccc(N2CCN(CCCN3C(=O)CCc4c(Cl)cccc43)CC2)c1 | O=C1CCc2c(Cl)cccc2N1CCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 | No | 0.859249 |
COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(C)c2)CC1 | O=C1CCc2c(Cl)cccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1 | No | 0.756359 |
Nc1nc2c(NCc3ccccc3)cccc2n2c(=O)n(-c3ccccc3)nc12 | CC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 | No | 0.899001 |
O=C(NC1CCN(Cc2ccccn2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | O=C(NC1CCN(CC2CCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | No | 0.902689 |
O=C(NC1CCN(Cc2ccccn2)CC1)C(O)(c1ccccc1)C1CCCC1 | O=C(NC1CCN(CC2CCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | No | 0.81306 |
CC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1CCc1ccccc1 | No | 0.75655 |
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1CCc1ccccc1 | No | 0.832976 |
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1CCc1ccccc1 | No | 0.920046 |
CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1CCc1ccccc1 | No | 0.879775 |
CN(C)C(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1CCc1ccccc1 | No | 0.756176 |
O=C(c1cccc2ccccc12)N1CCN(Cc2c[nH]cn2)c2ccc(Br)cc2C1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1CCc1ccccc1 | No | 0.741321 |
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc2ccccc12 | No | 0.81 |
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1Cl | CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc2ccccc12 | No | 0.812022 |
COc1ccc(CC2CN(Cc3c[nH]cn3)c3ccc(Br)cc3CN2S(C)(=O)=O)cc1 | CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc2ccccc12 | No | 0.807018 |
CC1CN(Cc2c[nH]cn2)c2ccccc2CN1C(=O)c1cccc2ccccc12 | CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc2ccccc12 | No | 0.849102 |
CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc2ccccc12 | No | 0.977472 |
CC(=O)N1Cc2ccccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1CCc1ccccc1 | No | 0.750276 |
CC(=O)N1Cc2ccccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc2ccccc12 | No | 0.947434 |
O=C(NC1CCN(CC2CCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | NCc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1 | No | 0.923784 |
Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1F | NCc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1 | No | 0.951031 |
Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1 | NCc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1 | No | 0.903822 |
COc1ccc(NC(=O)N2CCN(CCCCc3c[nH]c4ccc(F)cc34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1N1CCN(C)CC1 | No | 0.846734 |
COc1ccc(NC(=O)NCCN2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(C#N)cc34)CC2)cc1N1CCN(C)CC1 | No | 0.888331 |
COc1ccc(NC(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1N1CCN(C)CC1 | No | 0.965834 |
COc1ccc(NC(=O)NCCc2c[nH]c3ccc(O)cc23)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1N1CCN(C)CC1 | No | 0.808376 |
COc1ccc(NC(=O)NCCc2c[nH]c3ccc(F)cc23)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1N1CCN(C)CC1 | No | 0.812895 |
COc1ccc(NC(=O)N2CCC(c3c[nH]c4cccc(F)c34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1N1CCN(C)CC1 | No | 0.92686 |
COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(C(N)=O)cc34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1N1CCN(C)CC1 | No | 0.942308 |
COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)cc1OCCN(C)C | COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1N1CCN(C)CC1 | No | 0.814815 |
CC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc2ccccc12 | No | 0.930403 |
COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(F)cc34)C2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(C#N)cc34)CC2)cc1N1CCN(C)CC1 | No | 0.867066 |
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1CNC(=O)c1ccccc1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1CCc1ccccc1 | No | 0.911215 |
CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc2ccccc12 | No | 0.791939 |
O=C(N[C@H]1CCN(CCc2ccc(F)cc2)C1)C12CC3CC(CC(C3)C1)C2 | O=C(N[C@H]1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 | No | 0.927107 |
COc1ccc(CCN2CCC(NC(=O)C34CC5CC(CC(C5)C3)C4)C2)cc1 | O=C(N[C@H]1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 | No | 0.890591 |
O=C(NC1CCN(CCCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 | O=C(N[C@H]1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 | No | 0.851259 |
O=C(N[C@H]1CCN(CCc2ccccc2)C1)C1CCCCC1 | O=C(N[C@H]1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 | No | 0.90172 |
O=C(NC1CCN(CCc2ccccc2F)C1)C12CC3CC(CC(C3)C1)C2 | O=C(N[C@H]1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 | No | 0.867804 |
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1Cl | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1CCc1ccccc1 | No | 0.900789 |
CCCS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1CCc1ccccc1 | No | 0.871111 |
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1CCc1ccccc1 | CS(=O)(=O)N1Cc2cc(-c3cccnc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | No | 0.871397 |
CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | CS(=O)(=O)N1Cc2cc(-c3cccnc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | No | 0.782845 |
O=C(c1cccc2ccccc12)N1CCN(Cc2c[nH]cn2)c2ccc(Br)cc2C1 | CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc2ccccc12 | No | 0.833133 |
O=C(c1cccc2ccccc12)N1CCN(Cc2c[nH]cn2)c2ccccc2C1 | CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc2ccccc12 | No | 0.799279 |
CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1CCc1ccccc1 | No | 0.772878 |
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1CCc1ccccc1 | CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc2ccccc12 | No | 0.777049 |
COc1ccc(CC2CN(Cc3c[nH]cn3)c3ccc(Br)cc3CN2S(C)(=O)=O)cc1 | CS(=O)(=O)N1Cc2cc(-c3cccnc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | No | 0.919192 |
CCCS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | CS(=O)(=O)N1Cc2cc(-c3cccnc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | No | 0.908889 |
CC(=O)N1Cc2ccccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | CS(=O)(=O)N1Cc2cc(-c3cccnc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | No | 0.77607 |
CN(C)C(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc2ccccc12 | No | 0.87078 |
CC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | CS(=O)(=O)N1Cc2cc(-c3cccnc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | No | 0.78587 |
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1 | CS(=O)(=O)N1Cc2cc(-c3cccnc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | No | 0.871383 |
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | CS(=O)(=O)N1Cc2cc(-c3cccnc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | No | 0.930365 |
CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | CS(=O)(=O)N1Cc2cc(-c3cccnc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | No | 0.982578 |
CN(C)C(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | CS(=O)(=O)N1Cc2cc(-c3cccnc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | No | 0.788853 |
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1CNC(=O)c1ccccc1 | CS(=O)(=O)N1Cc2cc(-c3cccnc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | No | 0.849391 |
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1CNC(=O)c1ccccc1 | CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc2ccccc12 | No | 0.778761 |
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1Cl | CS(=O)(=O)N1Cc2cc(-c3cccnc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | No | 0.913237 |
COc1ccc(NC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1N1CCN(C)CC1 | No | 0.765556 |
COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1N1CCN(C)CC1 | No | 0.960784 |
COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(F)cc34)C2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1N1CCN(C)CC1 | No | 0.887793 |
Fc1ccc2c(C3CCNCC3)c[nH]c2c1 | NC(=O)c1ccc2[nH]cc(C3CCNCC3)c2c1 | No | 0.751252 |
COc1ccc(NC(=O)N2CCC(c3c[nH]c4cccc(F)c34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)NCCc2c[nH]c3ccc(F)cc23)cc1N1CCN(C)CC1 | No | 0.815085 |
COc1ccc(NC(=O)N2CCN(CCCCc3c[nH]c4ccc(F)cc34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)NCCc2c[nH]c3ccc(F)cc23)cc1N1CCN(C)CC1 | No | 0.88189 |
COc1ccc(NC(=O)NCCN2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1N1CCN(C)CC1 | COc1ccc(NC(=O)NCCc2c[nH]c3ccc(O)cc23)cc1N1CCN(C)CC1 | No | 0.814956 |