p1
stringlengths 12
119
| p2
stringlengths 12
119
| Scaffold
stringlengths 2
69
| similarity
float64 0.5
1
|
|---|---|---|---|
CC(C)C[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 | COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc(OC)c1O | No | 0.910112 |
COc1cc2ncc(C#N)c(Nc3cccc(C#N)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1OC | No | 0.962963 |
COc1cc2ncc(C#N)c(Nc3ccc(C)c(Br)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2cc1OC | No | 0.885714 |
COc1cc2ncc(C#N)c(Nc3cccc(O)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2cc1OC | No | 0.92735 |
COc1cc2ncc(C#N)c(Nc3cccc(C(C)=O)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2cc1OC | No | 0.91989 |
COc1cc2ncc(C(N)=O)c(Nc3cccc(Br)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2cc1OC | No | 0.801768 |
COc1cc2ncc(C#N)c(Nc3cccc(N)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2cc1OC | No | 0.913043 |
COc1cc2c(C#N)cnc(Nc3cccc(Cl)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2cc1OC | No | 0.629766 |
COc1cc2ncc(C#N)c(Nc3cccc(C(N)=O)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2cc1OC | No | 0.918956 |
COc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2cc1OC | No | 0.904033 |
COc1cc2ncc(C#N)c(Nc3cccc(C#N)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2cc1OC | No | 0.952722 |
COc1cc2ncc(C#N)c(Nc3cccc([N+](=O)[O-])c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2cc1OC | No | 0.875502 |
COc1cc2ncc(C#N)c(Nc3cccc(C(C)C)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1OC | No | 0.942113 |
COc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1OC | No | 0.951613 |
O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3)N2C(=O)[C@@H]2CCCN12 | COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc(OC)c1O | No | 0.978746 |
COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)NCC(=O)N32)cc(OC)c1OC | COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc(OC)c1O | No | 0.974576 |
CC(C)=CCN1C(=O)[C@@H]2CCCN2C(=O)[C@@H]1Cc1c[nH]c2ccccc12 | COc1cc(CN2C(=O)[C@@H]3CCCN3C(=O)[C@@H]2Cc2c[nH]c3ccccc23)cc(OC)c1O | No | 0.850412 |
COc1cc2ncc(C#N)c(Nc3cccc(SC)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccccc3Br)c2cc1OC | No | 0.910864 |
CCOc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccccc3Br)c2cc1OC | No | 0.930265 |
COc1cc2ncc(C#N)c(Nc3cccc(F)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccccc3Br)c2cc1OC | No | 0.905687 |
COc1cc2ncc(C#N)c(Nc3ccc(C(C)C)cc3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccccc3Br)c2cc1OC | No | 0.918425 |
CC(C)=CCN1C(=O)[C@@H]2CCCN2C(=O)[C@@H]1Cc1c[nH]c2ccccc12 | O=C1[C@H](Cc2c[nH]c3ccccc23)N(Cc2ccccc2)C(=O)[C@@H]2CCCN12 | No | 0.900249 |
COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc(OC)c1OC | COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc(OC)c1O | No | 0.996822 |
COc1cc2ncc(C#N)c(Nc3cccc(O)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1OC | No | 0.974474 |
COc1cc2ncc(C#N)c(Nc3cccc(C#N)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccccc3Br)c2cc1OC | No | 0.921016 |
COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc(OC)c1OC | O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3)N2C(=O)[C@@H]2CCCN12 | No | 0.975636 |
O=C1[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N1C/C=C/c1ccccc1 | O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3)N2C(=O)[C@@H]2CCCN12 | No | 0.793362 |
COc1cc2c(C#N)cnc(Nc3cccc(Cl)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccccc3Br)c2cc1OC | No | 0.650873 |
COc1cc2ncc(C#N)c(Nc3cccc(C(N)=O)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccccc3Br)c2cc1OC | No | 0.886486 |
COc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccccc3Br)c2cc1OC | No | 0.948718 |
COc1cc2ncc(C#N)c(Nc3cccc(O)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccccc3Br)c2cc1OC | No | 0.931429 |
COc1cc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccccc3Br)c2cc1OC | No | 0.902204 |
COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc(OC)c1O | COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)NCC(=O)N32)cc(OC)c1O | No | 0.977683 |
COc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccccc3Br)c2cc1OC | No | 0.937951 |
N#Cc1cnc2cc3c(cc2c1Nc1cccc(Br)c1)OCO3 | N#Cc1cnc2cc3c(cc2c1Nc1cccc(Br)c1)OCCCO3 | No | 0.937673 |
CCOc1cc2c(Nc3cccc(Br)c3)c(C#N)cnc2cc1OC | N#Cc1cnc2cc3c(cc2c1Nc1cccc(Br)c1)OCCCO3 | No | 0.97609 |
N#Cc1cnc2cc3c(cc2c1Nc1cccc(Br)c1)OCCO3 | N#Cc1cnc2cc3c(cc2c1Nc1cccc(Br)c1)OCCCO3 | No | 0.966527 |
CCOc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1OC | N#Cc1cnc2cc3c(cc2c1Nc1cccc(Br)c1)OCCCO3 | No | 0.97609 |
COCOc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1OCOC | N#Cc1cnc2cc3c(cc2c1Nc1cccc(Br)c1)OCCCO3 | No | 0.926531 |
COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc(OC)c1OC | O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3)N2C(=O)[C@@H]2CCCN12 | No | 0.975636 |
COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc(OC)c1O | COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)NCC(=O)N32)cc(OC)c1O | No | 0.977683 |
COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)NCC(=O)N32)cc(OC)c1OC | COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc(OC)c1O | No | 0.974576 |
COc1cc2ncc(C#N)c(Nc3ccc(Br)c(C)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1OC | No | 0.923295 |
COc1ccc(S(=O)(=O)N2CCN(C)CC2C(=O)NO)cc1 | COc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(-c4ccccc4)noc3C)CC2C(=O)NO)cc1 | No | 0.693002 |
COc1cc2ncc(C#N)c(Nc3ccc(C)c(Br)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1OC | No | 0.939568 |
CCOc1cc2c(Nc3cccc(Br)c3)c(C#N)cnc2cc1OC | COc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1OC | No | 0.929799 |
COCOc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1OCOC | COc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1OC | No | 0.918079 |
COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)NCC(=O)N32)cc(OC)c1OC | COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)NCC(=O)N32)cc(OC)c1O | No | 0.99675 |
COc1cc2ncc(C#N)c(Nc3ccccc3C(C)C)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1OC | No | 0.940751 |
COc1cc2ncc(C#N)c(Nc3cccc([N+](=O)[O-])c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1OC | No | 0.914326 |
COc1cc2ncc(C#N)c(Nc3cccc(C(C)=O)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1OC | No | 0.928673 |
COc1cc2ncc(C(N)=O)c(Nc3cccc(Br)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1OC | No | 0.810952 |
COc1cc2ncc(C#N)c(Nc3cccc(N)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1OC | No | 0.961538 |
COc1cc2c(C#N)cnc(Nc3cccc(Cl)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1OC | No | 0.643678 |
COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)NCC(=O)N32)cc(OC)c1OC | COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)NCC(=O)N32)cc(OC)c1O | No | 0.99675 |
COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc(OC)c1OC | COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)NCC(=O)N32)cc(OC)c1O | No | 0.974576 |
COc1cc2ncc(C#N)c(Nc3cccc(SC)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1OC | No | 0.946064 |
COc1cc2ncc(C#N)c(Nc3cccc(Br)c3C)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1OC | No | 0.915493 |
COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)NCC(=O)N32)cc(OC)c1OC | COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)NCC(=O)N32)cc(OC)c1OC | No | 1 |
COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc(OC)c1OC | COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc(OC)c1OC | No | 1 |
COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc(OC)c1OC | COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)NCC(=O)N32)cc(OC)c1OC | No | 0.977754 |
COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc(OC)c1OC | COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)NCC(=O)N32)cc(OC)c1OC | No | 0.977754 |
COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc(OC)c1OC | COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)NCC(=O)N32)cc(OC)c1OC | No | 0.977754 |
COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc(OC)c1OC | COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)NCC(=O)N32)cc(OC)c1OC | No | 0.977754 |
COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc(OC)c1OC | O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3)N2C(=O)[C@@H]2CCCN12 | No | 0.975636 |
COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc(OC)c1OC | COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)NCC(=O)N32)cc(OC)c1O | No | 0.974576 |
COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc(OC)c1OC | O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3)N2C(=O)[C@@H]2CCCN12 | No | 0.975636 |
O=C1[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N1C/C=C/c1ccccc1 | O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3)N2C(=O)[C@@H]2CCCN12 | No | 0.793362 |
COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc(OC)c1OC | CC(C)C[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 | No | 0.909276 |
COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc(OC)c1OC | CC(C)C[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 | No | 0.909276 |
CCOc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1OC | No | 0.929799 |
COc1cc2ncc(C#N)c(Nc3cccc(NC(C)=O)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1OC | No | 0.900277 |
COc1cc2ncc(C#N)c(Nc3ccc(C(C)C)cc3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1OC | No | 0.968843 |
COc1cc2ncc(C#N)c(Nc3cccc(F)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1OC | No | 0.943314 |
COc1cc2ncc(C#N)c(Nc3ccc(Br)cc3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1OC | No | 0.967213 |
COCCOc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1OCCOC | COc1cc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2cc1OC | No | 0.879032 |
COc1cc2ncc(C#N)c(Nc3ccccc3C(C)C)c2cc1OC | COc1cc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2cc1OC | No | 0.910097 |
COc1cc2c(C#N)cnc(Nc3cccc(Br)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1OC | No | 0.647134 |
COc1cc2ncc(C#N)c(Nc3cccc(SC)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2cc1OC | No | 0.901662 |
COc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2cc1OC | No | 0.883784 |
CCOc1cc2c(Nc3cccc(Br)c3)c(C#N)cnc2cc1OC | COc1cc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2cc1OC | No | 0.892077 |
COc1cc2ncc(C#N)c(Nc3ccc(Br)cc3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2cc1OC | No | 0.915374 |
COc1cc2ncc(C#N)c(Nc3cccc(Cl)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2cc1OC | No | 0.913165 |
COc1cc2c(C#N)cnc(Nc3cccc(Br)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2cc1OC | No | 0.631127 |
COc1cc2ncc(C#N)c(Nc3ccc(Cl)cc3F)c2cc1OC | COc1cc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2cc1OC | No | 0.869393 |
CCOc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2cc1OC | No | 0.892077 |
COCOc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1OCOC | COc1cc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2cc1OC | No | 0.876344 |
COc1cc2ncc(C#N)c(Nc3cccc(F)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2cc1OC | No | 0.901798 |
COc1cc2ncc(C#N)c(Nc3ccc(C(C)C)cc3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2cc1OC | No | 0.917135 |
COc1cc2ncc(C#N)c(Nc3cccc(NC(C)=O)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2cc1OC | No | 0.870027 |
COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2cc1OC | No | 0.661168 |
COc1cc2ncc(C#N)c(Nc3cccc(Br)c3C)c2cc1OC | COc1cc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2cc1OC | No | 0.879032 |
COc1cc2ncc(C#N)c(Nc3ccc(C)c(Cl)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2cc1OC | No | 0.903581 |
COc1cc2ncc(C#N)c(Nc3cccc(Cl)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1OC | No | 0.955817 |
COc1cc2ncc(C#N)c(Nc3ccc(Cl)cc3F)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1OC | No | 0.891632 |
COc1cc2ncc(C#N)c(Nc3cccc(C(N)=O)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1OC | No | 0.916784 |
COc1cc2ncc(C#N)c(Nc3ccc(C)c(Cl)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1OC | No | 0.945007 |
COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc(OC)c1OC | COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc(OC)c1O | No | 0.996822 |
COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc(OC)c1OC | COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc(OC)c1O | No | 0.996822 |
COc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1OC | COc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1OC | No | 0.92068 |
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