p1
stringlengths 12
119
| p2
stringlengths 12
119
| Scaffold
stringlengths 2
69
| similarity
float64 0.5
1
|
|---|---|---|---|
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccc(Cl)cc32)cn1 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | No | 0.848946 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2cc(Cl)c(C)c3Cl)cn1 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2 | No | 0.799338 |
Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | No | 0.902212 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(F)c(Cl)cc32)cn1 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | No | 0.836549 |
Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C(C)C)nc1)CC2 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | No | 0.832402 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(F)ccc32)cn1 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | No | 0.848769 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c(Br)cccc32)cn1 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | No | 0.850521 |
Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3Cl)nc1)CC2 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | No | 0.807175 |
Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | No | 0.8379 |
COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(Oc3cccnc3C)cc1C)CC2 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | No | 0.87794 |
COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | No | 0.889522 |
Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(Oc3cccnc3C)cn1)CC2 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | No | 0.846413 |
CCc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C)c(Cl)cc32)cn1 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | No | 0.8386 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2cccc3C(F)(F)F)cn1 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | No | 0.899415 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)ccc32)cn1 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | No | 0.859172 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(F)c(Cl)cc32)cn1 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2 | No | 0.788889 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(F)ccc32)cn1 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2 | No | 0.778912 |
Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3Cl)nc1)CC2 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2 | No | 0.776301 |
Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2 | No | 0.804054 |
COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(Oc3cccnc3C)cc1C)CC2 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2 | No | 0.838106 |
COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2 | No | 0.842634 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)ccc32)cn1 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2 | No | 0.784247 |
Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3cccnc3C)nc1)CC2 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | No | 0.778149 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccc(C(F)(F)F)cc32)cn1 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2 | No | 0.841435 |
Cc1cc2c(cc1F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2 | No | 0.802928 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C(F)(F)F)ccc32)cn1 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2 | No | 0.817661 |
Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2 | No | 0.907818 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccc(Cl)cc32)cn1 | Cc1ccc2c(c1Br)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1 | No | 0.882641 |
Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3cccnc3C)nc1)CC2 | Cc1ccc2c(c1Br)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1 | No | 0.815636 |
Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C(C)C)nc1)CC2 | Cc1ccc2c(c1Br)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1 | No | 0.872515 |
CC1CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N2CCC(CCO)CC2)C1 | Cc1csc(CC(NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)C(=O)N2CCC(CCO)CC2)n1 | No | 0.932373 |
CC1(C)CNc2c(cccc2S(=O)(=O)NC(Cc2nc(CN)cs2)C(=O)N2CCC(CCO)CC2)C1 | CC1(C)CNc2c(cccc2S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)N2CCC(CCO)CC2)C1 | No | 0.876697 |
CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](CSCCCN)C(=O)N2CCC(CCO)CC2)C1 | CC1(C)CNc2c(cccc2S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)N2CCC(CCO)CC2)C1 | No | 0.899879 |
CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](CSCCCN)C(=O)N2CCC(CCF)CC2)C1 | CC1(C)CNc2c(cccc2S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)N2CCC(CCO)CC2)C1 | No | 0.889688 |
CC1CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(CCO)CC2)C1 | CC1(C)CNc2c(cccc2S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)N2CCC(CCO)CC2)C1 | No | 0.980075 |
CC1CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC(CCO)CC2)C1 | CC1(C)CNc2c(cccc2S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)N2CCC(CCO)CC2)C1 | No | 0.923434 |
Cc1csc(CC(NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)C(=O)N2CCC(CCO)CC2)n1 | CC1(C)CNc2c(cccc2S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)N2CCC(CCO)CC2)C1 | No | 0.88041 |
CC1(C)CNc2c(cccc2S(=O)(=O)NC(Cc2nc(CN)cs2)C(=O)N2CCC(CCO)CC2)C1 | CC1CNc2c(cccc2S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC(CCO)CC2)C1 | No | 0.856216 |
CC1(C)CNc2c(cccc2S(=O)(=O)NC(Cc2nc(CN)cs2)C(=O)N2CCC(CCO)CC2)C1 | CC1CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3o2)C(=O)N2CCC(CCO)CC2)C1 | No | 0.859724 |
CC1CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(CCO)CC2)C1 | CC1CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3o2)C(=O)N2CCC(CCO)CC2)C1 | No | 0.847253 |
CC1CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC(CCO)CC2)C1 | CC1CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3o2)C(=O)N2CCC(CCO)CC2)C1 | No | 0.858661 |
CC1CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N2CCC(CCO)CC2)C1 | CC1(C)CNc2c(cccc2S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)N2CCC(CCO)CC2)C1 | No | 0.861386 |
CC1CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N2CCC(CCO)CC2)C1 | CC1CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3o2)C(=O)N2CCC(CCO)CC2)C1 | No | 0.884778 |
CC1(C)CNc2c(cccc2S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)N2CCC(CCO)CC2)C1 | CC1CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3o2)C(=O)N2CCC(CCO)CC2)C1 | No | 0.854167 |
CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](CSCCCN)C(=O)N2CCC(CCO)CC2)C1 | CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2cccnc2)C(=O)N2CCC(CCO)CC2)C1 | No | 0.887441 |
CC1CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(CCO)CC2)C1 | CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2cccnc2)C(=O)N2CCC(CCO)CC2)C1 | No | 0.96337 |
CC1CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(CCO)CC2)C1 | Cc1csc(CC(NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)C(=O)N2CCC(CCO)CC2)n1 | No | 0.881881 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C(=O)N(C)C)cc54)c3=O)C[C@@H]21 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(-c6ccccc6)nc54)c3=O)C[C@@H]21 | No | 0.927638 |
CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](CSCCCN)C(=O)N2CCC(CCO)CC2)C1 | CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCC(CCF)CC2)C1 | No | 0.903423 |
CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](CSCCCN)C(=O)N2CCC(CCF)CC2)C1 | CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCC(CCF)CC2)C1 | No | 0.914005 |
Cc1csc(CC(NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)C(=O)N2CCC(CCO)CC2)n1 | CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCC(CCF)CC2)C1 | No | 0.859909 |
CC1(C)CNc2c(cccc2S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)N2CCC(CCO)CC2)C1 | CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCC(CCF)CC2)C1 | No | 0.885578 |
CCC1CCN(C(=O)C(Cc2nc3ccccc3s2)NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)CC1 | CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCC(CCF)CC2)C1 | No | 0.824427 |
CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2cccnc2)C(=O)N2CCC(CCO)CC2)C1 | CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCC(CCF)CC2)C1 | No | 0.875733 |
Cc1csc(CC(NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)C(=O)N2CCC(CCO)CC2)n1 | CC1CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3o2)C(=O)N2CCC(CCO)CC2)C1 | No | 0.863102 |
CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](CSCCCN)C(=O)N2CCC(CCF)CC2)C1 | CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2cccnc2)C(=O)N2CCC(CCO)CC2)C1 | No | 0.879717 |
CC1CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(CCO)CC2)C1 | CC1CNc2c(cccc2S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC(CCO)CC2)C1 | No | 0.920746 |
CC1CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N2CCC(CCO)CC2)C1 | CC1CNc2c(cccc2S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC(CCO)CC2)C1 | No | 0.873662 |
Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | Cc1ccc2c(c1Br)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1 | No | 0.883117 |
Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(Oc3cccnc3C)cn1)CC2 | Cc1ccc2c(c1Br)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1 | No | 0.810811 |
CCc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | Cc1ccc2c(c1Br)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1 | No | 0.876023 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2ccc(Cl)c3Cl)cn1 | Cc1ccc2c(c1Br)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1 | No | 0.859791 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2cc(C(F)(F)F)c2c3CCO2)cn1 | Cc1ccc2c(c1Br)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1 | No | 0.82684 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)c(C(F)(F)F)cc32)cn1 | Cc1ccc2c(c1Br)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1 | No | 0.868852 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)c(Cl)cc32)cn1 | Cc1ccc2c(c1Br)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1 | No | 0.867456 |
COc1ccc(S(=O)(=O)N2CCN(C(=O)NCCc3ccccc3)CC2C(=O)NO)cc1 | COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccnc3)CC2C(=O)NO)cc1 | No | 0.828105 |
COc1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2C(=O)NO)cc1 | COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccnc3)CC2C(=O)NO)cc1 | No | 0.828496 |
COc1ccccc1C(Oc1cc(OCc2ccsc2)ccc1C#N)C(=O)O | Cc1ccccc1C(Oc1cc(OCc2ccc3ncoc3c2)ccc1C#N)C(=O)O | No | 0.689873 |
CC1CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(CCO)CC2)C1 | CCC1CCN(C(=O)C(Cc2nc3ccccc3s2)NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)CC1 | No | 0.849285 |
Cc1csc(CC(NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)C(=O)N2CCC(CCO)CC2)n1 | CC1CNc2c(cccc2S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC(CCO)CC2)C1 | No | 0.85963 |
CC1(C)CNc2c(cccc2S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)N2CCC(CCO)CC2)C1 | CC1CNc2c(cccc2S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC(CCO)CC2)C1 | No | 0.923434 |
CC1CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3o2)C(=O)N2CCC(CCO)CC2)C1 | CC1CNc2c(cccc2S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC(CCO)CC2)C1 | No | 0.858661 |
CC1(C)CNc2c(cccc2S(=O)(=O)NC(Cc2nc(CN)cs2)C(=O)N2CCC(CCO)CC2)C1 | CCC1CCN(C(=O)C(Cc2nc3ccccc3s2)NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)CC1 | No | 0.925193 |
CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](CSCCCN)C(=O)N2CCC(CCO)CC2)C1 | CCC1CCN(C(=O)C(Cc2nc3ccccc3s2)NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)CC1 | No | 0.830769 |
CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](CSCCCN)C(=O)N2CCC(CCF)CC2)C1 | CCC1CCN(C(=O)C(Cc2nc3ccccc3s2)NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)CC1 | No | 0.827851 |
CC1CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC(CCO)CC2)C1 | CCC1CCN(C(=O)C(Cc2nc3ccccc3s2)NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)CC1 | No | 0.870588 |
CC1CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC(CCO)CC2)C1 | CC1CNc2c(cccc2S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC(CCO)CC2)C1 | No | 1 |
CC1CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N2CCC(CCO)CC2)C1 | CCC1CCN(C(=O)C(Cc2nc3ccccc3s2)NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)CC1 | No | 0.994407 |
Cc1csc(CC(NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)C(=O)N2CCC(CCO)CC2)n1 | CCC1CCN(C(=O)C(Cc2nc3ccccc3s2)NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)CC1 | No | 0.931264 |
CC1(C)CNc2c(cccc2S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)N2CCC(CCO)CC2)C1 | CCC1CCN(C(=O)C(Cc2nc3ccccc3s2)NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)CC1 | No | 0.860286 |
CC1CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3o2)C(=O)N2CCC(CCO)CC2)C1 | CCC1CCN(C(=O)C(Cc2nc3ccccc3s2)NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)CC1 | No | 0.879747 |
CC1CNc2c(cccc2S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC(CCO)CC2)C1 | CCC1CCN(C(=O)C(Cc2nc3ccccc3s2)NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)CC1 | No | 0.870588 |
CC1(C)CNc2c(cccc2S(=O)(=O)NC(Cc2nc(CN)cs2)C(=O)N2CCC(CCO)CC2)C1 | CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2cccnc2)C(=O)N2CCC(CCO)CC2)C1 | No | 0.873743 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)c(Cl)cc32)cn1 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | No | 0.83959 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2cc(C(F)(F)F)c2c3CCO2)cn1 | Cc1cc2c(cc1F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | No | 0.837541 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)c(C(F)(F)F)cc32)cn1 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | No | 0.910047 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2ccc(Cl)c3Cl)cn1 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | No | 0.836872 |
O=C(c1ccc(OCCCc2c[nH]cn2)cc1)N1CCCC1 | CCCC(O)c1ccc(OCCCc2c[nH]cn2)cc1 | No | 0.570842 |
O=C(c1ccc(OCCCc2c[nH]cn2)cc1)N1CCCC1 | O=[N+]([O-])c1ccc(OCCCc2c[nH]cn2)cc1 | No | 0.530146 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)c(Cl)cc32)cn1 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccc(C(F)(F)F)cc32)cn1 | No | 0.883636 |
Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccc(C(F)(F)F)cc32)cn1 | No | 0.956413 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)c(C(F)(F)F)cc32)cn1 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2 | No | 0.834273 |
Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2 | No | 0.881944 |
Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(Oc3cccnc3C)c(Cl)c1)CC2 | Cc1cc2c(cc1Cl)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1 | No | 0.879769 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C(F)(F)F)ccc32)cn1 | Cc1cc2c(cc1Br)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | No | 0.913259 |
COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(Oc3cccnc3C)cc1C)CC2 | Cc1cc2c(cc1Br)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | No | 0.858447 |
COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | Cc1cc2c(cc1Br)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | No | 0.856978 |
Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2 | Cc1cc2c(cc1Br)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | No | 0.811364 |
O=[N+]([O-])c1ccc(OCCCc2c[nH]cn2)cc1 | CCCC(O)c1ccc(OCCCc2c[nH]cn2)cc1 | No | 0.552204 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)ccc32)cn1 | Cc1cc2c(cc1Br)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | No | 0.91206 |
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