p1
stringlengths 12
119
| p2
stringlengths 12
119
| Scaffold
stringlengths 2
69
| similarity
float64 0.5
1
|
|---|---|---|---|
O=C(NC1CCN(CC2CCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CCC(F)(F)C2)CC1 | No | 0.971034 |
CN(C)S(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccncc1 | No | 0.879386 |
CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc2ccccc12 | CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccncc1 | No | 0.79696 |
CSc1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3)C2=O)c1 | CC(C)(C)CCN1C(=O)C(NC(=O)Nc2cccc(C3N=NN=N3)c2)C(=O)N(c2ccccc2)c2ccccc21 | No | 0.921053 |
O=C(NC1CCN(CCc2ccc(C(F)(F)F)cc2)C1)C12CC3CC(CC(C3)C1)C2 | O=C(N[C@H]1CCN(CCc2ccc(F)cc2)C1)C12CC3CC(CC(C3)C1)C2 | No | 0.839836 |
CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CCC(F)(F)C2)CC1 | No | 1 |
O=C(NC[C@@H]1CCCN1CCc1ccccc1)C1CCCCC1 | O=C(N[C@@H]1CCN(CCc2ccccc2)C1)C1CCCCC1 | No | 0.826303 |
O=C(NC1CCN(Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 | O=C(N[C@H]1CCN(CCc2ccc(F)cc2)C1)C12CC3CC(CC(C3)C1)C2 | No | 0.746 |
O=C(NC1CCN(CCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 | O=C(N[C@H]1CCN(CCc2ccc(F)cc2)C1)C12CC3CC(CC(C3)C1)C2 | No | 0.814255 |
O=C(N[C@@H]1CCN(CCc2ccc(F)cc2)C1)C12CC3CC(CC(C3)C1)C2 | O=C(N[C@H]1CCN(CCc2ccc(F)cc2)C1)C12CC3CC(CC(C3)C1)C2 | No | 1 |
O=C(NC1CCN(CCc2cccc(F)c2)C1)C12CC3CC(CC(C3)C1)C2 | O=C(N[C@H]1CCN(CCc2ccc(F)cc2)C1)C12CC3CC(CC(C3)C1)C2 | No | 0.924242 |
O=C(NC1CCN(CCc2ccc(Cl)cc2)C1)C12CC3CC(CC(C3)C1)C2 | O=C(N[C@H]1CCN(CCc2ccc(F)cc2)C1)C12CC3CC(CC(C3)C1)C2 | No | 0.87931 |
O=C(NC1CCN(CCc2ccc(C(F)(F)F)cc2)C1)C12CC3CC(CC(C3)C1)C2 | O=C(N[C@@H]1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 | No | 0.890591 |
O=C(N[C@@H]1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 | O=C(N[C@H]1CCN(CCc2ccc(F)cc2)C1)C12CC3CC(CC(C3)C1)C2 | No | 0.927107 |
O=C(NC1CCN(Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 | COc1ccc(CCN2CCC(NC(=O)C34CC5CC(CC(C5)C3)C4)C2)cc1 | No | 0.713462 |
O=C(NC1CCN(CCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 | COc1ccc(CCN2CCC(NC(=O)C34CC5CC(CC(C5)C3)C4)C2)cc1 | No | 0.783784 |
O=C(N[C@@H]1CCN(CCc2ccc(F)cc2)C1)C12CC3CC(CC(C3)C1)C2 | COc1ccc(CCN2CCC(NC(=O)C34CC5CC(CC(C5)C3)C4)C2)cc1 | No | 0.839836 |
O=C(NC1CCN(CCc2cccc(F)c2)C1)C12CC3CC(CC(C3)C1)C2 | COc1ccc(CCN2CCC(NC(=O)C34CC5CC(CC(C5)C3)C4)C2)cc1 | No | 0.82495 |
O=C(N[C@@H]1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 | O=C(N[C@@H]1CCN(CCc2ccccc2)C1)C1CCCCC1 | No | 0.90172 |
CS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@@H]1Cc1ccccc1 | No | 0.957597 |
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@H]1CC1CCCCC1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@@H]1Cc1ccccc1 | No | 0.894977 |
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@@H]1Cc1ccccc1 | No | 1 |
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1cccc(Cl)c1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@@H]1Cc1ccccc1 | No | 0.977621 |
CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1cccnc1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@@H]1Cc1ccccc1 | No | 0.920814 |
Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1 | COc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)c1 | No | 0.851613 |
O=C(NC1CCN(CC2CCCCC2)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 | 0.93984 |
CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | O=C(NC1CCN(Cc2ccccc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | No | 0.938503 |
Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1 | O=C(NC1CCN(Cc2ccccc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | No | 0.991914 |
O=C(NC1CCN(Cc2ccccc2)CC1)C(O)(c1ccccc1)C1CCCC1 | O=C(NC1CCN(Cc2ccccc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | No | 0.884511 |
O=C(NC1CCN(Cc2ccoc2)CC1)C(O)(c1ccccc1)C1CCCC1 | O=C(NC1CCN(Cc2ccccc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | No | 0.84485 |
NCc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1 | O=C(NC1CCN(Cc2ccccc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | No | 0.982644 |
O=C(NC1CCN(Cc2ccsc2)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 | 0.951444 |
Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1F | O=C(NC1CCN(Cc2ccccc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | No | 0.962092 |
O=C(NC1CCN(Cc2ccccn2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CCC(F)(F)C2)CC1 | No | 0.898977 |
Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1 | O=C(NC1CCN(Cc2ccccc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | No | 0.908978 |
O=C(NC1CCN(Cc2ccccn2)CC1)C(O)(c1ccccc1)C1CCCC1 | O=C(NC1CCN(Cc2ccccc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | No | 0.847044 |
O=C(NC1CCN(Cc2cccnc2)CC1)C(O)(c1ccccc1)C1CCCC1 | O=C(NC1CCN(Cc2ccccc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | No | 0.84715 |
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 | 0.937018 |
O=C(NC1CCN(Cc2ccsc2)CC1)C(O)(c1ccccc1)C1CCCC1 | O=C(NC1CCN(Cc2ccccc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | No | 0.843832 |
Cc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)n1 | O=C(NC1CCN(Cc2ccccc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | No | 0.835651 |
COc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)c1 | O=C(NC1CCN(Cc2ccccc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | No | 0.858257 |
Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1 | CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CCC(F)(F)C2)CC1 | No | 0.876866 |
CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccncc1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@@H]1Cc1ccccc1 | No | 0.937931 |
CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccc2ccccc2c1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@@H]1Cc1ccccc1 | No | 0.8125 |
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@@H]1Cc1ccccc1 | No | 0.85623 |
CS(=O)(=O)N1Cc2cc(-c3ccncc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@@H]1Cc1ccccc1 | No | 0.940023 |
CCOC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 | CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@@H]1Cc1ccccc1 | No | 0.806416 |
O=C(NC1CCN(CCc2ccc(Cl)cc2)C1)C12CC3CC(CC(C3)C1)C2 | O=C(N[C@@H]1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 | No | 0.939954 |
COc1ccc(C(=O)Nc2c(OC)ccc(OC)c2NC(=O)c2ccc(OC)cc2)cc1 | COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(OC)cc3)c2)cc1 | No | 0.562387 |
COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 | COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(OC)cc3)c2)cc1 | No | 0.685144 |
CCOc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2)cc1 | COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(OC)cc3)c2)cc1 | No | 0.740291 |
Nc1nc2c(NCc3ccccc3)cccc2n2c(=O)n(-c3ccccc3)nc12 | O=c1n(-c2ccccc2)nc2c(NCc3ccccc3)nc3ccccc3n12 | No | 0.926719 |
COc1ccc(NC(=O)Nc2nc3ccccc3n3c(=O)n(-c4ccccc4)nc23)cc1 | O=c1n(-c2ccccc2)nc2c(NCc3ccccc3)nc3ccccc3n12 | No | 0.927212 |
O=c1n(-c2ccccc2)nc2c(NC3CCCCC3)nc3ccccc3n12 | Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 | No | 0.925146 |
Nc1nc2c(NCc3ccccc3)cccc2n2c(=O)n(-c3ccccc3)nc12 | Cc1cccc(-n2nc3c(N)nc4ccccc4n3c2=O)c1 | No | 0.916762 |
COc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1 | Cc1cccc(-n2nc3c(N)nc4ccccc4n3c2=O)c1 | No | 0.947494 |
O=c1[nH]c2ccccc2n2c(=O)n(-c3cccc(F)c3)nc12 | Cc1cccc(-n2nc3c(N)nc4ccccc4n3c2=O)c1 | No | 0.859107 |
Cc1cccc(-n2nc3c(NC4CCCC4)nc4ccccc4n3c2=O)c1 | Cc1cccc(-n2nc3c(N)nc4ccccc4n3c2=O)c1 | No | 0.936 |
Nc1nc2ccccc2n2c(=O)n(-c3ccc(Cl)cc3)nc12 | Cc1cccc(-n2nc3c(N)nc4ccccc4n3c2=O)c1 | No | 0.950839 |
Cc1ccc(-n2nc3c(=O)n(C)c4ccccc4n3c2=O)cc1 | Cc1cccc(-n2nc3c(N)nc4ccccc4n3c2=O)c1 | No | 0.846491 |
O=c1n(-c2cccc(F)c2)nc2c(NC3CCCCC3)nc3ccccc3n12 | Cc1cccc(-n2nc3c(N)nc4ccccc4n3c2=O)c1 | No | 0.904171 |
Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 | O=c1n(-c2ccccc2)nc2c(NCc3ccccc3)nc3ccccc3n12 | No | 0.933884 |
CCCn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21 | Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 | No | 0.834066 |
Nc1nc2ccccc2n2c(=O)n(-c3ccc(Cl)cc3)nc12 | O=c1n(-c2ccccc2)nc2c(NCc3ccccc3)nc3ccccc3n12 | No | 0.924419 |
Cn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21 | O=c1n(-c2ccccc2)nc2c(NCc3ccccc3)nc3ccccc3n12 | No | 0.850763 |
Cc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1 | O=c1n(-c2ccccc2)nc2c(NCc3ccccc3)nc3ccccc3n12 | No | 0.935673 |
O=c1n(-c2ccccc2)nc2c(NCCCc3ccccc3)nc3ccccc3n12 | O=c1n(-c2ccccc2)nc2c(NCc3ccccc3)nc3ccccc3n12 | No | 0.952982 |
O=c1n(-c2ccccc2)nc2c(NC3CCCCC3)nc3ccccc3n12 | O=c1n(-c2ccccc2)nc2c(NCc3ccccc3)nc3ccccc3n12 | No | 0.940707 |
O=C(Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1 | O=c1n(-c2ccccc2)nc2c(NCc3ccccc3)nc3ccccc3n12 | No | 0.972445 |
O=c1n(-c2ccccc2)nc2c(NCCCc3ccccc3)nc3ccccc3n12 | Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 | No | 0.924065 |
O=C(Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1 | Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 | No | 0.908152 |
COc1ccc(C(=O)Nc2ccc(OC)cc2NC(=O)c2ccc(OC)cc2)cc1 | COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2OC)cc1 | No | 0.686275 |
COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 | COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2OC)cc1 | No | 0.697417 |
C=Cc1cccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)c1 | COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2OC)cc1 | No | 0.589744 |
O=c1[nH]c2ccccc2n2c(=O)n(-c3ccccc3)nc12 | O=c1n(-c2ccccc2)nc2c(NCc3ccccc3)nc3ccccc3n12 | No | 0.848692 |
COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(S(C)(=O)=O)cc2)cc1 | COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2OC)cc1 | No | 0.671256 |
COc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1 | Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 | No | 0.97294 |
Cn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21 | Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 | No | 0.848144 |
CCCn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21 | C#CCn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21 | No | 0.985311 |
Cc1ccc(-n2nc3c(=O)n(C)c4ccccc4n3c2=O)cc1 | C#CCn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21 | No | 0.963964 |
O=c1[nH]c2ccccc2n2c(=O)n(-c3ccc(Cl)cc3)nc12 | Cn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21 | No | 0.903935 |
O=c1[nH]c2ccccc2n2c(=O)n(-c3ccc(Cl)cc3)nc12 | COc1ccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)cc1 | No | 0.965389 |
O=c1[nH]c2ccccc2n2c(=O)n(-c3cccc(F)c3)nc12 | Cn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21 | No | 0.894737 |
CCCn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21 | Cn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21 | No | 0.970387 |
O=c1n(-c2ccccc2)nc2c(NC3CCCCC3)nc3ccccc3n12 | Cn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21 | No | 0.85342 |
O=C(Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1 | Cn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21 | No | 0.846731 |
Cc1ccc(-n2nc3c(=O)n(C)c4ccccc4n3c2=O)cc1 | Cn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21 | No | 0.984971 |
Cc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1 | COc1ccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)cc1 | No | 0.866279 |
COc1ccc(C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccc(OC)cc2)cc1 | COc1ccc(C(=O)Nc2ccc(C(=O)O)cc2NC(=O)c2ccc(OC)cc2)cc1 | No | 0.679144 |
Cc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1 | Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 | No | 0.97896 |
COc1ccc(C(=O)Nc2ccc(O)cc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 | COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2OC)cc1 | No | 0.670103 |
O=c1n(-c2cccc(F)c2)nc2c(NC3CCCCC3)nc3ccccc3n12 | O=c1n(-c2cccc(F)c2)nc2c(NC3CCCC3)nc3ccccc3n12 | No | 0.996556 |
Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 | O=c1n(-c2cccc(F)c2)nc2c(NC3CCCC3)nc3ccccc3n12 | No | 0.910242 |
Nc1nc2ccccc2n2c(=O)n(-c3cccc(F)c3)nc12 | O=c1n(-c2cccc(F)c2)nc2c(NC3CCCC3)nc3ccccc3n12 | No | 0.935558 |
O=c1[nH]c2ccccc2n2c(=O)n(-c3cccc(F)c3)nc12 | O=c1n(-c2cccc(F)c2)nc2c(NC3CCCC3)nc3ccccc3n12 | No | 0.869274 |
O=c1n(-c2ccccc2)nc2c(NC3CCCCC3)nc3ccccc3n12 | O=c1n(-c2cccc(F)c2)nc2c(NC3CCCC3)nc3ccccc3n12 | No | 0.979334 |
O=c1n(-c2ccc(Cl)cc2)nc2c(NC3CCCCC3)nc3ccccc3n12 | O=c1n(-c2cccc(F)c2)nc2c(NC3CCCC3)nc3ccccc3n12 | No | 0.968218 |
Cc1cccc(-n2nc3c(NC4CCCC4)nc4ccccc4n3c2=O)c1 | O=c1n(-c2cccc(F)c2)nc2c(NC3CCCC3)nc3ccccc3n12 | No | 0.968397 |
Nc1nc2ccccc2n2c(=O)n(-c3cccc(F)c3)nc12 | Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 | No | 0.97294 |
O=C(Nc1ccccc1)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 | O=c1n(-c2ccccc2)nc2c(NCc3ccccc3)nc3ccccc3n12 | No | 0.937642 |