p1
stringlengths 12
119
| p2
stringlengths 12
119
| Scaffold
stringlengths 2
69
| similarity
float64 0.5
1
|
|---|---|---|---|
O=c1[nH]c2ccccc2n2c(=O)n(-c3ccccc3)nc12 | Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 | No | 0.885817 |
C#CCn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21 | Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 | No | 0.837184 |
Cc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1 | Cc1cccc(-n2nc3c(N)nc4ccccc4n3c2=O)c1 | No | 0.967352 |
CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2cccc(F)c2)cc1 | COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2OC)cc1 | No | 0.585198 |
COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C(=O)C(F)(F)F)cc2)cc1 | COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2OC)cc1 | No | 0.663778 |
COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC(C)(C)C)cc2)cc1 | COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2OC)cc1 | No | 0.722543 |
COc1ccc(C(=O)Nc2ccc(C(=O)O)cc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 | COc1ccc(C(=O)Nc2cccc(O)c2NC(=O)c2ccc(OC)cc2)cc1 | No | 0.628019 |
COc1ccc(C(=O)Nc2ccc(OC)cc2NC(=O)c2ccc(OC)cc2)cc1 | COc1ccc(C(=O)Nc2cc(O)ccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 | No | 0.856287 |
COc1ccc(C(=O)Nc2ccc(O)cc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 | COc1ccc(C(=O)Nc2cc(O)ccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 | No | 1 |
COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC(C)C)cc2)cc1 | COc1ccc(C(=O)Nc2cc(O)ccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 | No | 0.758065 |
COc1ccc(C(=O)Nc2cc(NS(C)(=O)=O)ccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 | COc1ccc(C(=O)Nc2cccc(O)c2NC(=O)c2ccc(OC)cc2)cc1 | No | 0.635484 |
CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(F)cc2)cc1 | COc1ccc(C(=O)Nc2cccc(O)c2NC(=O)c2ccc(OC)cc2)cc1 | No | 0.602564 |
COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(OC)cc3)c2)cc1 | COc1ccc(C(=O)Nc2cccc(O)c2NC(=O)c2ccc(OC)cc2)cc1 | No | 0.622222 |
COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(Oc3ccccc3)cc2)cc1 | COc1ccc(C(=O)Nc2cccc(O)c2NC(=O)c2ccc(OC)cc2)cc1 | No | 0.750499 |
COc1ccc(C(=O)Nc2ccc(C)cc2NC(=O)c2ccc(OC)cc2)cc1 | COc1ccc(C(=O)Nc2cc(O)ccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 | No | 0.733591 |
COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2OC)cc1 | COc1ccc(C(=O)Nc2cccc(O)c2NC(=O)c2ccc(OC)cc2)cc1 | No | 0.683566 |
COc1ccc(C(=O)Nc2ccc(C(=O)O)cc2NC(=O)c2ccc(OC)cc2)cc1 | COc1ccc(C(=O)Nc2cccc(O)c2NC(=O)c2ccc(OC)cc2)cc1 | No | 0.663793 |
COc1ccc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 | COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(SC)cc2)cc1 | No | 0.646859 |
COc1ccc(C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccc(OC)cc2)cc1 | COc1ccc(C(=O)Nc2cccc(O)c2NC(=O)c2ccc(OC)cc2)cc1 | No | 0.703911 |
COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 | COc1ccc(C(=O)Nc2cccc(O)c2NC(=O)c2ccc(OC)cc2)cc1 | No | 0.672384 |
COc1ccc(C(=O)N(C)c2ccccc2N(C)C(=O)c2ccc(OC)cc2)cc1 | COc1ccc(C(=O)Nc2cccc(O)c2NC(=O)c2ccc(OC)cc2)cc1 | No | 0.671429 |
COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(N(C)C)cc2)cc1 | COc1ccc(C(=O)Nc2cc(O)ccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 | No | 0.725146 |
CCOc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2)cc1 | COc1ccc(C(=O)Nc2cc(O)ccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 | No | 0.764344 |
COc1ccc(C(=O)Nc2c(OC)ccc(OC)c2NC(=O)c2ccc(OC)cc2)cc1 | COc1ccc(C(=O)Nc2cccc(O)c2NC(=O)c2ccc(OC)cc2)cc1 | No | 0.884906 |
COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(S(C)(=O)=O)cc2)cc1 | COc1ccc(C(=O)Nc2cc(O)ccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 | No | 0.684303 |
COc1ccc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 | COc1ccc(C(=O)Nc2cc(O)ccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 | No | 0.733898 |
COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C(C)(C)OC)cc2)cc1 | COc1ccc(C(=O)Nc2cc(O)ccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 | No | 0.794007 |
COc1ccc(C(=O)Nc2ccc(O)cc2NC(=O)c2ccc(N(C)C)cc2)cc1 | COc1ccc(C(=O)Nc2cc(O)ccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 | No | 0.838207 |
COc1ccc(C(=O)Nc2ccccc2N(C)C(=O)c2ccc(OC)cc2)cc1 | COc1ccc(C(=O)Nc2cc(O)ccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 | No | 0.68873 |
COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 | COc1ccc(C(=O)Nc2cc(O)ccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 | No | 0.891213 |
CCc1ccc(C(=O)Nc2cc(O)ccc2NC(=O)c2ccc(OC)cc2)cc1 | COc1ccc(C(=O)Nc2cccc(O)c2NC(=O)c2ccc(OC)cc2)cc1 | No | 0.800774 |
Nc1nc2c(NCc3ccccc3)cccc2n2c(=O)n(-c3ccccc3)nc12 | O=c1n(-c2ccccc2)nc2c(NCCc3ccccc3)nc3ccccc3n12 | No | 0.913966 |
O=c1n(-c2ccccc2)nc2c(NC3CCCC3)nc3ccccc3n12 | Cc1cccc(-n2nc3c(NC4CCCCC4)nc4ccccc4n3c2=O)c1 | No | 0.970387 |
C=Cc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 | COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2OC)cc1 | No | 0.591398 |
COc1ccc(C(=O)Nc2ccc(O)cc2NC(=O)c2ccc(OC)cc2)cc1 | COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2OC)cc1 | No | 0.71243 |
COc1ccc(C(=O)Nc2ccc(O)cc2NC(=O)c2ccc(N(C)C)cc2)cc1 | COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2OC)cc1 | No | 0.691358 |
COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C(C)C)cc2)cc1 | COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2OC)cc1 | No | 0.701493 |
Cc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 | COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2OC)cc1 | No | 0.590406 |
COc1cccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)c1 | COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2OC)cc1 | No | 0.66899 |
CCOc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2)cc1 | COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2OC)cc1 | No | 0.736634 |
COc1ccc(C(=O)Nc2ccc(C)cc2NC(=O)c2ccc(OC)cc2)cc1 | COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2OC)cc1 | No | 0.708411 |
COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(N(C)C)cc2)cc1 | COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2OC)cc1 | No | 0.722753 |
COc1ccc(C(=O)Nc2ccccc2N(C)C(=O)c2ccc(OC)cc2)cc1 | COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2OC)cc1 | No | 0.672474 |
COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C(C)(C)OC)cc2)cc1 | COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2OC)cc1 | No | 0.656463 |
Cc1cccc(-n2nc3c(NC4CCCC4)nc4ccccc4n3c2=O)c1 | Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 | No | 0.904 |
COc1ccc(C(=O)Nc2ccc(C(=O)O)cc2NC(=O)c2ccc(OC)cc2)cc1 | COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2OC)cc1 | No | 0.661074 |
Nc1nc2ccccc2n2c(=O)n(-c3ccc(Cl)cc3)nc12 | Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 | No | 0.97896 |
COc1ccc(NC(=O)Nc2nc3ccccc3n3c(=O)n(-c4ccccc4)nc23)cc1 | Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 | No | 0.905034 |
COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(N(C)C)cc2)cc1 | COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(Oc3ccccc3)cc2)cc1 | No | 0.843891 |
COc1ccc(C(=O)Nc2ccc(OC)cc2NC(=O)c2ccc(OC)cc2)cc1 | COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(Oc3ccccc3)cc2)cc1 | No | 0.765914 |
COc1ccc(C(=O)Nc2ccc(O)cc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 | COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(Oc3ccccc3)cc2)cc1 | No | 0.737255 |
COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC(C)C)cc2)cc1 | COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(Oc3ccccc3)cc2)cc1 | No | 0.860789 |
COc1ccc(C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccc(OC)cc2)cc1 | COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2OC)cc1 | No | 0.693694 |
COc1ccc(C(=O)Nc2cc(C(=O)O)ccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 | COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2OC)cc1 | No | 0.626374 |
CCc1ccc(C(=O)Nc2cc(O)ccc2NC(=O)c2ccc(OC)cc2)cc1 | COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2OC)cc1 | No | 0.683099 |
CCc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 | COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2OC)cc1 | No | 0.590406 |
COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 | COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2OC)cc1 | No | 0.655629 |
COc1ccc(C(=O)Nc2c(OC)ccc(OC)c2NC(=O)c2ccc(OC)cc2)cc1 | COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2OC)cc1 | No | 0.646302 |
Cn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21 | C#CCn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21 | No | 0.969283 |
C=Cc1cccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)c1 | COc1ccc(C(=O)Nc2cc(O)ccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 | No | 0.727788 |
Cc1ccc(-n2nc3c(=O)n(C)c4ccccc4n3c2=O)cc1 | Cc1ccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)cc1 | No | 0.917919 |
O=c1[nH]c2ccccc2n2c(=O)n(-c3cccc(F)c3)nc12 | Cc1ccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)cc1 | No | 0.953545 |
Cc1cccc(-n2nc3c(NC4CCCC4)nc4ccccc4n3c2=O)c1 | O=c1n(-c2ccccc2)nc2c(NC3CCCC3)nc3ccccc3n12 | No | 0.974857 |
COc1ccc(NC(=O)Nc2nc3ccccc3n3c(=O)n(-c4ccccc4)nc23)cc1 | O=c1n(-c2ccccc2)nc2c(NC3CCCC3)nc3ccccc3n12 | No | 0.918889 |
O=C(Nc1ccccc1)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 | O=c1n(-c2ccccc2)nc2c(NC3CCCC3)nc3ccccc3n12 | No | 0.929134 |
O=c1n(-c2cccc(F)c2)nc2c(NC3CCCCC3)nc3ccccc3n12 | O=c1n(-c2ccccc2)nc2c(NC3CCCC3)nc3ccccc3n12 | No | 0.978186 |
Cc1cccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)c1 | Nc1cccc2c1nc(N)c1nn(-c3ccccc3)c(=O)n12 | No | 0.85877 |
Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 | O=c1n(-c2ccccc2)nc2c(NC3CCCC3)nc3ccccc3n12 | No | 0.927315 |
O=c1n(-c2ccccc2)nc2c(NCc3ccccc3)nc3ccccc3n12 | O=c1n(-c2ccccc2)nc2c(NC3CCCC3)nc3ccccc3n12 | No | 0.940639 |
O=c1[nH]c2ccccc2n2c(=O)n(-c3ccccc3)nc12 | Cn1c(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n2c2ccccc21 | No | 0.900463 |
COc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1 | Cn1c(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n2c2ccccc21 | No | 0.846916 |
Cc1ccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)cc1 | Cn1c(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n2c2ccccc21 | No | 0.897025 |
C#CCn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21 | Cn1c(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n2c2ccccc21 | No | 0.962838 |
O=C(Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1 | O=c1n(-c2ccccc2)nc2c(NC3CCCC3)nc3ccccc3n12 | No | 0.926257 |
Cn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21 | Cn1c(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n2c2ccccc21 | No | 0.986111 |
Cc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1 | Cn1c(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n2c2ccccc21 | No | 0.84141 |
O=c1[nH]c2ccccc2n2c(=O)n(-c3ccc(Cl)cc3)nc12 | Cn1c(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n2c2ccccc21 | No | 0.917824 |
CCCn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21 | Cn1c(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n2c2ccccc21 | No | 0.96614 |
Cc1cccc(-n2nc3c(N)nc4ccccc4n3c2=O)c1 | O=c1n(-c2ccccc2)nc2c(NC3CCCC3)nc3ccccc3n12 | No | 0.910857 |
O=c1n(-c2ccc(Cl)cc2)nc2c(NC3CCCCC3)nc3ccccc3n12 | Cn1c(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n2c2ccccc21 | No | 0.861141 |
Nc1nc2ccccc2n2c(=O)n(-c3ccc(Cl)cc3)nc12 | Cn1c(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n2c2ccccc21 | No | 0.857778 |
Cc1ccc(-n2nc3c(=O)n(C)c4ccccc4n3c2=O)cc1 | Cn1c(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n2c2ccccc21 | No | 0.978261 |
Nc1cccc2c1nc(N)c1nn(-c3ccccc3)c(=O)n12 | O=c1n(-c2ccccc2)nc2c(NC3CCCC3)nc3ccccc3n12 | No | 0.918764 |
O=C(Cc1ccccc1)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 | O=c1n(-c2ccccc2)nc2c(NC3CCCC3)nc3ccccc3n12 | No | 0.94363 |
CCC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 | O=c1n(-c2ccccc2)nc2c(NC3CCCC3)nc3ccccc3n12 | No | 0.963303 |
Nc1nc2ccccc2n2c(=O)n(-c3cccc(F)c3)nc12 | Cc1cccc(-n2nc3c(N)nc4ccccc4n3c2=O)c1 | No | 0.952153 |
COc1ccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)cc1 | Cn1c(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n2c2ccccc21 | No | 0.896119 |
Cn1c(=O)c2nn(-c3ccccc3)c(=O)n2c2ccccc21 | Cc1cccc(-n2nc3c(N)nc4ccccc4n3c2=O)c1 | No | 0.840308 |
O=c1n(-c2cccc(F)c2)nc2c(NC3CCCC3)nc3ccccc3n12 | O=c1n(-c2ccccc2)nc2c(NC3CCCC3)nc3ccccc3n12 | No | 0.981588 |
O=c1n(-c2ccccc2)nc2c(NCCCc3ccccc3)nc3ccccc3n12 | O=c1n(-c2ccccc2)nc2c(NC3CCCC3)nc3ccccc3n12 | No | 0.966628 |
O=c1n(-c2ccccc2)nc2c(NC3CCCCC3)nc3ccccc3n12 | Cc1cccc(-n2nc3c(NC4CCCCC4)nc4ccccc4n3c2=O)c1 | No | 0.974914 |
Cc1cccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)c1 | Cc1cccc(-n2nc3c(NC4CCCCC4)nc4ccccc4n3c2=O)c1 | No | 0.872222 |
CCC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 | Cc1cccc(-n2nc3c(NC4CCCCC4)nc4ccccc4n3c2=O)c1 | No | 0.946188 |
Cc1cccc(-n2nc3c(N)nc4ccccc4n3c2=O)c1 | Cc1cccc(-n2nc3c(NC4CCCCC4)nc4ccccc4n3c2=O)c1 | No | 0.933865 |
O=c1n(-c2cccc(F)c2)nc2c(NC3CCCC3)nc3ccccc3n12 | Cc1cccc(-n2nc3c(NC4CCCCC4)nc4ccccc4n3c2=O)c1 | No | 0.966216 |
Nc1nc2ccccc2n2c(=O)n(-c3cccc(F)c3)nc12 | Cc1cccc(-n2nc3c(NC4CCCCC4)nc4ccccc4n3c2=O)c1 | No | 0.905299 |
Cc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1 | Cc1cccc(-n2nc3c(NC4CCCCC4)nc4ccccc4n3c2=O)c1 | No | 0.908267 |
O=c1n(-c2ccc(Cl)cc2)nc2c(NC3CCCCC3)nc3ccccc3n12 | Cc1cccc(-n2nc3c(NC4CCCCC4)nc4ccccc4n3c2=O)c1 | No | 0.96614 |
Cc1cccc(-n2nc3c(N)nc4ccccc4n3c2=O)c1 | CC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 | No | 0.919448 |
Cc1cccc(-n2nc3c(NC4CCCC4)nc4ccccc4n3c2=O)c1 | Cc1cccc(-n2nc3c(NC4CCCCC4)nc4ccccc4n3c2=O)c1 | No | 0.995444 |