p1
stringlengths 12
119
| p2
stringlengths 12
119
| Scaffold
stringlengths 2
69
| similarity
float64 0.5
1
|
|---|---|---|---|
COc1ccc(S(=O)(=O)N2CCN(C(=O)NCCc3ccccc3)CC2C(=O)NO)cc1 | COc1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2C(=O)NO)cc1 | No | 0.878661 |
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2C(=O)NO)cc1 | COc1ccc(S(=O)(=O)N2CCN(c3nc(-c4ccccc4)cs3)CC2C(=O)NO)cc1 | No | 0.757778 |
COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)C(C(=O)NO)C2)cc1 | COc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(-c4ccccc4)noc3C)CC2C(=O)NO)cc1 | No | 0.692308 |
COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(oc5ccccc54)c3=O)CC21 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(Cl)cc54)c3=O)C[C@@H]21 | No | 0.894949 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(C)c54)c3=O)C[C@@H]21 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(Cl)cc54)c3=O)C[C@@H]21 | No | 0.973029 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(OC)ccnc54)c3=O)C[C@@H]21 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(Cl)cc54)c3=O)C[C@@H]21 | No | 0.952869 |
COc1ccc2c(c1)C1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC1CC2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(Cl)cc54)c3=O)C[C@@H]21 | No | 0.971609 |
COc1cccc2c1CCC1CN(CCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(Cl)cc54)c3=O)C[C@@H]21 | No | 0.973795 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(OC)ccnc54)c3=O)C[C@@H]21 | COc1cccc2c1CCC1CN(CCCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | No | 0.941598 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)C[C@@H]21 | COc1cccc2c1CCC1CN(CCCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | No | 0.980973 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(-c6ccccc6)nc54)c3=O)C[C@@H]21 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(OC)ccnc54)c3=O)C[C@@H]21 | No | 0.95117 |
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(sc5cncnc54)c3=O)C[C@@H]21 | No | 0.948133 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C(F)(F)F)ccc54)c3=O)C[C@@H]21 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(oc5ccccc54)c3=O)CC21 | No | 0.890342 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)C[C@@H]21 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(oc5ccccc54)c3=O)CC21 | No | 0.893293 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cncnc54)c3=O)C[C@@H]21 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(Cl)cc54)c3=O)C[C@@H]21 | No | 0.951983 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(C)c54)c3=O)C[C@@H]21 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(oc5ccccc54)c3=O)CC21 | No | 0.895161 |
COc1ccc2c(c1)C1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC1CC2 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(oc5ccccc54)c3=O)CC21 | No | 0.87931 |
COc1cccc2c1CCC1CN(CCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(oc5ccccc54)c3=O)CC21 | No | 0.89126 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(-c6ccccc6)nc54)c3=O)C[C@@H]21 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cncnc54)c3=O)C[C@@H]21 | No | 0.950259 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C(=O)N(C)C)cc54)c3=O)C[C@@H]21 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(oc5ccccc54)c3=O)CC21 | No | 0.889669 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C(F)(F)F)ccc54)c3=O)C[C@@H]21 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cncnc54)c3=O)C[C@@H]21 | No | 0.951042 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)C[C@@H]21 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cncnc54)c3=O)C[C@@H]21 | No | 0.963002 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(C)c54)c3=O)C[C@@H]21 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cncnc54)c3=O)C[C@@H]21 | No | 0.948025 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(OC)ccnc54)c3=O)C[C@@H]21 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cncnc54)c3=O)C[C@@H]21 | No | 0.962382 |
COc1ccc2c(c1)C1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC1CC2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cncnc54)c3=O)C[C@@H]21 | No | 0.948312 |
COc1cccc2c1CCC1CN(CCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cncnc54)c3=O)C[C@@H]21 | No | 0.950578 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(-c6ccccc6)nc54)c3=O)C[C@@H]21 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(oc5ccccc54)c3=O)CC21 | No | 0.895582 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(OC)ccnc54)c3=O)C[C@@H]21 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(oc5ccccc54)c3=O)CC21 | No | 0.899194 |
COc1ccc2c(c1)C1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC1CC2 | COc1cccc2c1CCC1CN(CCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | No | 0.970339 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(-c6ccccc6)cnc54)c3=O)C[C@@H]21 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(Cl)cc54)c3=O)C[C@@H]21 | No | 0.930303 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cncnc54)c3=O)C[C@@H]21 | COc1ccc2c(c1)CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | No | 0.943038 |
COc1ccc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2n1 | COc1cccc2c1CCC1CN(CCCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | No | 0.949432 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(-c6ccccc6)cnc54)c3=O)C[C@@H]21 | COc1cccc2c1CCC1CN(CCCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | No | 0.925025 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C(=O)N(C)C)cc54)c3=O)C[C@@H]21 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | No | 0.978056 |
COc1cccc2c1CCC1CN(CCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | No | 0.985138 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(-c6ccccc6)nc54)c3=O)C[C@@H]21 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | No | 0.929807 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C(F)(F)F)ccc54)c3=O)C[C@@H]21 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | No | 0.983193 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)C[C@@H]21 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | No | 1 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(C)c54)c3=O)C[C@@H]21 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | No | 0.982162 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(OC)ccnc54)c3=O)C[C@@H]21 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | No | 0.95356 |
COc1ccc2c(c1)C1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC1CC2 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | No | 0.985075 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(C)c54)c3=O)C[C@@H]21 | COc1cccc2c1CCC1CN(CCCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | No | 0.965696 |
COc1ccc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2n1 | COc1ccc2c(c1)CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | No | 0.939896 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)C[C@@H]21 | COc1ccc2c(c1)CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | No | 0.979744 |
COc1cccc2c1CCC1CN(CCCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(Cl)cc54)c3=O)C[C@@H]21 | No | 0.967675 |
COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(Cl)cc54)c3=O)C[C@@H]21 | No | 0.986301 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C(=O)N(C)C)cc54)c3=O)C[C@@H]21 | COc1ccc2c(c1)CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | No | 0.95829 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(-c6ccccc6)nc54)c3=O)C[C@@H]21 | COc1ccc2c(c1)CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | No | 0.914547 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C(F)(F)F)ccc54)c3=O)C[C@@H]21 | COc1ccc2c(c1)CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | No | 0.965373 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(C)c54)c3=O)C[C@@H]21 | COc1ccc2c(c1)CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | No | 0.962304 |
COc1ccc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2n1 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(Cl)cc54)c3=O)C[C@@H]21 | No | 0.956746 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(OC)ccnc54)c3=O)C[C@@H]21 | COc1ccc2c(c1)CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | No | 0.93808 |
COc1ccc2c(c1)C1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC1CC2 | COc1ccc2c(c1)CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | No | 0.9946 |
COc1cccc2c1CCC1CN(CCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | COc1ccc2c(c1)CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | No | 0.965042 |
COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(oc5ccccc54)c3=O)CC21 | COc1ccc2c(c1)CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | No | 0.874239 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C)cc54)c3=O)C[C@@H]21 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(Cl)cc54)c3=O)C[C@@H]21 | No | 0.981152 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C(=O)N(C)C)cc54)c3=O)C[C@@H]21 | COc1ccc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2n1 | No | 0.956923 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)C[C@@H]21 | COc1ccc2c(c1)C1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC1CC2 | No | 0.985075 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C(F)(F)F)ccc54)c3=O)C[C@@H]21 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(OC)ccnc54)c3=O)C[C@@H]21 | No | 0.947959 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C(=O)N(C)C)cc54)c3=O)C[C@@H]21 | COc1cccc2c1CCC1CN(CCCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | No | 0.963731 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(-c6ccccc6)nc54)c3=O)C[C@@H]21 | COc1cccc2c1CCC1CN(CCCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | No | 0.924012 |
COc1ccc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2n1 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(-c6ccccc6)cnc54)c3=O)C[C@@H]21 | No | 0.944106 |
COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(oc5ccccc54)c3=O)CC21 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(-c6ccccc6)cnc54)c3=O)C[C@@H]21 | No | 0.902316 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C(F)(F)F)ccc54)c3=O)C[C@@H]21 | COc1ccc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2n1 | No | 0.951795 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cncnc54)c3=O)C[C@@H]21 | COc1ccc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2n1 | No | 0.968454 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)C[C@@H]21 | COc1ccc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2n1 | No | 0.959502 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(C)c54)c3=O)C[C@@H]21 | COc1ccc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2n1 | No | 0.95082 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(OC)ccnc54)c3=O)C[C@@H]21 | COc1ccc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2n1 | No | 0.971074 |
COc1ccc2c(c1)C1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC1CC2 | COc1ccc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2n1 | No | 0.945078 |
COc1cccc2c1CCC1CN(CCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | COc1ccc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2n1 | No | 0.951346 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(-c6ccccc6)cnc54)c3=O)C[C@@H]21 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C)cc54)c3=O)C[C@@H]21 | No | 0.930091 |
COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(oc5ccccc54)c3=O)CC21 | COc1ccc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2n1 | No | 0.898888 |
COc1cccc2c1CCC1CN(CCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(-c6ccccc6)cnc54)c3=O)C[C@@H]21 | No | 0.924873 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(-c6ccccc6)nc54)c3=O)C[C@@H]21 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(-c6ccccc6)cnc54)c3=O)C[C@@H]21 | No | 0.988625 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C(F)(F)F)ccc54)c3=O)C[C@@H]21 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(-c6ccccc6)cnc54)c3=O)C[C@@H]21 | No | 0.925553 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)C[C@@H]21 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(-c6ccccc6)cnc54)c3=O)C[C@@H]21 | No | 0.928862 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(C)c54)c3=O)C[C@@H]21 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(-c6ccccc6)cnc54)c3=O)C[C@@H]21 | No | 0.924623 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(OC)ccnc54)c3=O)C[C@@H]21 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(-c6ccccc6)cnc54)c3=O)C[C@@H]21 | No | 0.944276 |
COc1ccc2c(c1)C1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC1CC2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(-c6ccccc6)cnc54)c3=O)C[C@@H]21 | No | 0.916751 |
COc1ccc(S(=O)(=O)N2CCN(C(=O)NCCc3ccccc3)CC2C(=O)NO)cc1 | CCOCCCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)C(C(=O)NO)C1 | No | 0.824903 |
CCCCCCN(C)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)C(C(=O)NO)C1 | CCOCCCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)C(C(=O)NO)C1 | No | 0.802372 |
CCCCCCN(C)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)C(C(=O)NO)C1 | COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccnc3)CC2C(=O)NO)cc1 | No | 0.817602 |
COc1cc(COc2ccc(C#N)c(OC(C(=O)O)c3ccccc3C)c2)cc(OC)c1OC | N#Cc1ccc(OCc2ccnnc2)cc1OC(C(=O)O)c1ccccc1Cl | No | 0.730028 |
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(sc5nc(-c6ccccc6)cnc54)c3=O)C[C@@H]21 | No | 0.926707 |
COc1ccc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2n1 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C)cc54)c3=O)C[C@@H]21 | No | 0.960663 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cncnc54)c3=O)C[C@@H]21 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C)cc54)c3=O)C[C@@H]21 | No | 0.960042 |
COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(oc5ccccc54)c3=O)CC21 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C)cc54)c3=O)C[C@@H]21 | No | 0.89463 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)C[C@@H]21 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(OC)ccnc54)c3=O)C[C@@H]21 | No | 0.95356 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(C)c54)c3=O)C[C@@H]21 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(OC)ccnc54)c3=O)C[C@@H]21 | No | 0.952965 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C(=O)N(C)C)cc54)c3=O)C[C@@H]21 | COc1ccc2c(c1)C1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC1CC2 | No | 0.963504 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(-c6ccccc6)nc54)c3=O)C[C@@H]21 | COc1ccc2c(c1)C1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC1CC2 | No | 0.919634 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C(F)(F)F)ccc54)c3=O)C[C@@H]21 | COc1ccc2c(c1)C1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC1CC2 | No | 0.970619 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(C)c54)c3=O)C[C@@H]21 | COc1ccc2c(c1)C1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC1CC2 | No | 0.967539 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(OC)ccnc54)c3=O)C[C@@H]21 | COc1cccc2c1CCC1CN(CCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | No | 0.947477 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(OC)ccnc54)c3=O)C[C@@H]21 | COc1ccc2c(c1)C1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC1CC2 | No | 0.94324 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C(=O)N(C)C)cc54)c3=O)C[C@@H]21 | COc1cccc2c1CCC1CN(CCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | No | 0.963655 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(-c6ccccc6)nc54)c3=O)C[C@@H]21 | COc1cccc2c1CCC1CN(CCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | No | 0.925813 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C(F)(F)F)ccc54)c3=O)C[C@@H]21 | COc1cccc2c1CCC1CN(CCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | No | 0.970742 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)C[C@@H]21 | COc1cccc2c1CCC1CN(CCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | No | 0.985138 |
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(C)c54)c3=O)C[C@@H]21 | COc1cccc2c1CCC1CN(CCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | No | 0.967675 |
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