p1
stringlengths 12
119
| p2
stringlengths 12
119
| Scaffold
stringlengths 2
69
| similarity
float64 0.5
1
|
|---|---|---|---|
COc1cc(/C=C/c2ccccc2)oc(=O)c1C | CCc1ccc(/C=C/c2cc(OC)cc(=O)o2)cc1 | O=c1cccc(/C=C/c2ccccc2)o1 | 0.770138 |
CCCOc1cc(/C=C/c2ccccc2)oc(=O)c1 | C#Cc1ccc(/C=C/c2cc(OC)cc(=O)o2)cc1 | O=c1cccc(/C=C/c2ccccc2)o1 | 0.860987 |
COc1cc(/C=C/c2ccccc2)oc(=O)c1C | CCCCc1ccc(/C=C/c2cc(OC)cc(=O)o2)cc1 | O=c1cccc(/C=C/c2ccccc2)o1 | 0.753321 |
COc1cc(/C=C/c2ccccc2)oc(=O)c1C | CCc1cccc(/C=C/c2cc(OC)cc(=O)o2)c1 | O=c1cccc(/C=C/c2ccccc2)o1 | 0.733583 |
COc1cc(/C=C/c2ccccc2)oc(=O)c1C | C#Cc1ccc(/C=C/c2cc(OC)cc(=O)o2)cc1 | O=c1cccc(/C=C/c2ccccc2)o1 | 0.772549 |
CCCc1ccc(/C=C/c2cc(OC)cc(=O)o2)cc1 | COc1cc(/C=C/c2ccccc2)oc(=O)c1C | O=c1cccc(/C=C/c2ccccc2)o1 | 0.757692 |
COc1cc(/C=C/c2ccccc2)oc(=O)c1C | COc1cc(/C=C/c2ccc(F)cc2)oc(=O)c1 | O=c1cccc(/C=C/c2ccccc2)o1 | 0.753425 |
COc1cc(/C=C/c2ccccc2)oc(=O)c1C | CCc1ccccc1/C=C/c1cc(OC)cc(=O)o1 | O=c1cccc(/C=C/c2ccccc2)o1 | 0.713249 |
COc1cc(/C=C/C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC | NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2OC(F)F)cc1 | O=C(/C=C/c1ccccc1)Nc1ccccc1 | 0.728752 |
NS(=O)(=O)c1ccc(CCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 | NS(=O)(=O)c1ccc(CCN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 | O=C1c2ccccc2C(=O)N1CCc1ccccc1 | 0.749669 |
COc1cc(/C=C/c2ccccc2)oc(=O)c1C | COc1cc(/C=C/c2ccc(C(C)(C)C)cc2)oc(=O)c1 | O=c1cccc(/C=C/c2ccccc2)o1 | 0.75619 |
CCOc1cc(/C=C/c2ccccc2)oc(=O)c1 | COc1cc(/C=C/c2ccc(C(C)(C)C)cc2)oc(=O)c1 | O=c1cccc(/C=C/c2ccccc2)o1 | 0.847682 |
COc1cc(/C=C/c2ccccc2)oc(=O)c1C | COc1cc(/C=C/c2ccc(Cl)cc2)oc(=O)c1 | O=c1cccc(/C=C/c2ccccc2)o1 | 0.746124 |
NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(OC(F)(F)F)cc2)cc1 | COc1cc(/C=C/C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC | O=C(/C=C/c1ccccc1)Nc1ccccc1 | 0.789683 |
COc1c(F)cccc1-c1ccc(CC(=O)N(C)c2nc(C)c(S(N)(=O)=O)s2)cc1 | CNS(=O)(=O)c1sc(N(CCN(C)C)C(=O)Cc2ccc(-c3ccccc3)cc2)nc1C | O=C(Cc1ccc(-c2ccccc2)cc1)Nc1nccs1 | 0.844988 |
Cc1nc(N(C)C(=O)Cc2ccc(-c3cc(F)ccc3F)cc2)sc1S(N)(=O)=O | CNS(=O)(=O)c1sc(N(CCN(C)C)C(=O)Cc2ccc(-c3ccccc3)cc2)nc1C | O=C(Cc1ccc(-c2ccccc2)cc1)Nc1nccs1 | 0.880982 |
COc1cc(/C=C/C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC | NS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1 | O=C(/C=C/c1ccccc1)Nc1ccccc1 | 0.647166 |
COc1cc(/C=C/C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC | NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1 | O=C(/C=C/c1ccccc1)Nc1ccccc1 | 0.672414 |
CC(C)(C)OC(=O)NC1CCN(C(=O)c2nc3c(C(N)=O)cccc3[nH]2)CC1 | NC(=O)c1cc(F)cc2[nH]c(C(=O)N3CCC(N)CC3)nc12 | O=C(c1nc2ccccc2[nH]1)N1CCCCC1 | 0.843501 |
CC(C)(C)OC(=O)NC1CCN(C(=O)c2nc3c(C(N)=O)cc(F)cc3[nH]2)C1 | CCCNC1CCN(C(=O)c2nc3c(C(N)=O)cccc3[nH]2)C1 | O=C(c1nc2ccccc2[nH]1)N1CCCC1 | 0.856041 |
CC(C)(C)OC(=O)NC1CCN(C(=O)c2nc3c(C(N)=O)cccc3[nH]2)C1 | NC(=O)c1cc(F)cc2[nH]c(C(=O)N3CCC(N)C3)nc12 | O=C(c1nc2ccccc2[nH]1)N1CCCC1 | 0.848446 |
CCC(=O)NC1CCN(C(=O)c2nc3c(C(N)=O)cccc3[nH]2)C1 | NC(=O)c1cc(F)cc2[nH]c(C(=O)N3CCC(N)C3)nc12 | O=C(c1nc2ccccc2[nH]1)N1CCCC1 | 0.889339 |
CCC(CC)N1CCN(C(=O)c2nc3c(C(N)=O)cc(F)cc3[nH]2)CC1=O | NC(=O)c1cccc2[nH]c(C(=O)N3CCNC(=O)C3)nc12 | O=C1CN(C(=O)c2nc3ccccc3[nH]2)CCN1 | 0.860027 |
CCC(CC)N1CCC(NC(=O)c2nc3c(C(N)=O)cc(F)cc3[nH]2)CC1 | CC(C)(C)OC(=O)N1CCC(NC(=O)c2nc3c(C(N)=O)cccc3[nH]2)CC1 | O=C(NC1CCNCC1)c1nc2ccccc2[nH]1 | 0.824538 |
CCC(CC)N1CCC(NC(=O)c2nc3c(C(N)=O)cc(F)cc3[nH]2)CC1 | NC(=O)c1cccc2[nH]c(C(=O)NC3CCN(C(=O)C(F)(F)F)CC3)nc12 | O=C(NC1CCNCC1)c1nc2ccccc2[nH]1 | 0.840483 |
NC(=O)c1cccc2[nH]c(C(=O)NC3CCN(C(=O)C(F)(F)F)CC3)nc12 | CC(C)(C)CN1CCC(NC(=O)c2nc3c(C(N)=O)cc(F)cc3[nH]2)CC1 | O=C(NC1CCNCC1)c1nc2ccccc2[nH]1 | 0.84543 |
O=C(Nc1ccn2cc(-c3ccccc3)nc2c1)N1CCCC1 | O=C(Nc1ccn2cc(-c3cccc(F)c3F)nc2c1)N1CC[C@H](F)C1 | O=C(Nc1ccn2cc(-c3ccccc3)nc2c1)N1CCCC1 | 0.801966 |
NS(=O)(=O)c1ccc(CCN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 | CC(C)(C)c1ccc2c(c1)C(=O)N(CCc1ccc(S(N)(=O)=O)cc1)C2=O | O=C1c2ccccc2C(=O)N1CCc1ccccc1 | 0.742547 |
Nc1cc2nsnc2cc1C#CCCCCCl | C#Cc1cc2nsnc2cc1[N+](=O)[O-] | c1ccc2nsnc2c1 | 0.696691 |
Nc1cc2nsnc2cc1C#CCCCCCl | Nc1cc2nsnc2cc1Br | c1ccc2nsnc2c1 | 0.508032 |
Nc1cc2nsnc2cc1C#CCCCCCl | Nc1ccc2nsnc2c1 | c1ccc2nsnc2c1 | 0.508235 |
Nc1cc2nsnc2cc1C#CCCCCCl | CC(C)(C)C#Cc1cc2nsnc2cc1[N+](=O)[O-] | c1ccc2nsnc2c1 | 0.731317 |
CCCNc1ccc2nsnc2c1 | Nc1cc2nsnc2cc1Br | c1ccc2nsnc2c1 | 0.592405 |
COc1ccc(-c2c3cc(O)c(OC)cc3cc3c2ncn3C)cc1 | COc1ccc(-c2c3cc(OC)c(OC)c(OC)c3cc3c2nc(N)n3C)cc1 | c1ccc(-c2c3ccccc3cc3[nH]cnc23)cc1 | 0.85989 |
CCCNc1ccc2nsnc2c1 | C#Cc1cc2nsnc2cc1N | c1ccc2nsnc2c1 | 0.530892 |
Nc1ccc2nsnc2c1 | C#Cc1cc2nsnc2cc1N | c1ccc2nsnc2c1 | 0.590164 |
CC(C)(C)C#Cc1cc2nsnc2cc1[N+](=O)[O-] | C#Cc1cc2nsnc2cc1N | c1ccc2nsnc2c1 | 0.667883 |
C#Cc1cc2nsnc2cc1[N+](=O)[O-] | CC(C)(C)C#Cc1cc2nsnc2cc1N | c1ccc2nsnc2c1 | 0.691882 |
Nc1ccc2nsnc2c1 | CC(C)(C)C#Cc1cc2nsnc2cc1N | c1ccc2nsnc2c1 | 0.515513 |
COc1ccc(-c2c3cc(O)c(OC)cc3cc3c2ncn3C)cc1 | COc1ccc(-c2c3nc(N)n(C)c3cc3cc(OC)c(OC)c(OC)c23)cc1 | c1ccc(-c2c3ccccc3cc3[nH]cnc23)cc1 | 0.831341 |
CCn1nnc2c([N+](=O)[O-])cccc21 | O=[N+]([O-])c1cccc2[nH]nnc12 | c1ccc2[nH]nnc2c1 | 0.738434 |
Nc1ccc(C(=O)O)cc1-c1nc2ccccc2n(Cc2ccccc2)c1=O | Cc1cc2nc(-c3cccc([N+](=O)[O-])c3)c(=O)n(Cc3ccccc3)c2cc1C | O=c1c(-c2ccccc2)nc2ccccc2n1Cc1ccccc1 | 0.851111 |
O=c1c(-c2ccc(C(F)(F)F)cc2)nc2ccccc2n1Cc1ccccc1 | Cc1cc2nc(-c3cccc([N+](=O)[O-])c3)c(=O)n(Cc3ccccc3)c2cc1C | O=c1c(-c2ccccc2)nc2ccccc2n1Cc1ccccc1 | 0.850939 |
COC(=O)c1ccc(N)c(-c2nc3ccccc3n(Cc3ccccc3)c2=O)c1 | Cc1cc2nc(-c3cccc([N+](=O)[O-])c3)c(=O)n(Cc3ccccc3)c2cc1C | O=c1c(-c2ccccc2)nc2ccccc2n1Cc1ccccc1 | 0.848185 |
Nc1ccc(C(=O)O)cc1-c1nc2ccccc2n(Cc2ccccc2)c1=O | O=c1c(-c2cccc([N+](=O)[O-])c2)nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1 | O=c1c(-c2ccccc2)nc2ccccc2n1Cc1ccccc1 | 0.853468 |
O=c1c(-c2ccc(C(F)(F)F)cc2)nc2ccccc2n1Cc1ccccc1 | O=c1c(-c2cccc([N+](=O)[O-])c2)nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1 | O=c1c(-c2ccccc2)nc2ccccc2n1Cc1ccccc1 | 0.85782 |
COC(=O)c1ccc(N)c(-c2nc3ccccc3n(Cc3ccccc3)c2=O)c1 | O=c1c(-c2cccc([N+](=O)[O-])c2)nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1 | O=c1c(-c2ccccc2)nc2ccccc2n1Cc1ccccc1 | 0.846409 |
Cn1nnc2cccc([N+](=O)[O-])c21 | O=[N+]([O-])c1cccc2[nH]nnc12 | c1ccc2[nH]nnc2c1 | 0.798077 |
Cn1nnc2cccc([N+](=O)[O-])c21 | CCCn1nnc2c([N+](=O)[O-])cccc21 | c1ccc2[nH]nnc2c1 | 0.78744 |
Cn1nnc2cccc([N+](=O)[O-])c21 | CCCCn1nnc2c([N+](=O)[O-])cccc21 | c1ccc2[nH]nnc2c1 | 0.777778 |
Cn1nnc2cccc([N+](=O)[O-])c21 | O=[N+]([O-])c1cccc2c1nnn2CCCCl | c1ccc2[nH]nnc2c1 | 0.776899 |
Cn1nnc2cccc([N+](=O)[O-])c21 | CCCCCCn1nnc2c([N+](=O)[O-])cccc21 | c1ccc2[nH]nnc2c1 | 0.768388 |
CC(C)c1cccc2cc(C(=O)O)[nH]c12 | CC(C)c1ccc2cc(C(N)=O)[nH]c2c1 | c1ccc2[nH]ccc2c1 | 0.632479 |
CC(C)c1cc2[nH]c(C(=O)O)cc2cc1F | CC(C)c1ccc2cc(C(=O)O)n(C)c2c1 | c1ccc2[nH]ccc2c1 | 0.709627 |
CC(C)c1cc(Cl)c2cc(C(=O)O)[nH]c2c1F | CC(C)c1cccc2cc(C(=O)O)[nH]c12 | c1ccc2[nH]ccc2c1 | 0.616622 |
CCc1ccc2cc(C(=O)O)[nH]c2c1 | CC(C)c1cccc2cc(C(=O)O)[nH]c12 | c1ccc2[nH]ccc2c1 | 0.742593 |
CC(C)c1ccc2c(F)c(C(=O)O)[nH]c2c1 | CC(C)c1cccc2cc(C(=O)O)[nH]c12 | c1ccc2[nH]ccc2c1 | 0.686244 |
O=C(O)c1cc2ccc(Cl)cc2[nH]1 | CC(C)c1cccc2cc(C(=O)O)[nH]c12 | c1ccc2[nH]ccc2c1 | 0.635563 |
CC(C)c1cc(F)c2cc(C(=O)O)[nH]c2c1 | CC(C)c1cccc2cc(C(=O)O)[nH]c12 | c1ccc2[nH]ccc2c1 | 0.675425 |
COC(=O)c1cc2ccc(C(C)C)cc2[nH]1 | CC(C)c1cccc2cc(C(=O)O)[nH]c12 | c1ccc2[nH]ccc2c1 | 0.727749 |
Cc1ccc2cc(C(=O)O)[nH]c2c1 | CC(C)c1cccc2cc(C(=O)O)[nH]c12 | c1ccc2[nH]ccc2c1 | 0.702448 |
CC(C)c1cc(Cl)c2cc(C(=O)O)[nH]c2c1 | CC(C)c1cccc2cc(C(=O)O)[nH]c12 | c1ccc2[nH]ccc2c1 | 0.684375 |
CC(C)c1ccc2cc(C(=O)O)n(C)c2c1 | CC(C)c1cccc2cc(C(=O)O)[nH]c12 | c1ccc2[nH]ccc2c1 | 0.664615 |
CC(C)c1cc(Cl)c2cc(C(=O)O)[nH]c2c1F | CC(C)c1ccc2cc(C(N)=O)[nH]c2c1 | c1ccc2[nH]ccc2c1 | 0.576816 |
CCc1ccc2cc(C(=O)O)[nH]c2c1 | CC(C)c1ccc2cc(C(N)=O)[nH]c2c1 | c1ccc2[nH]ccc2c1 | 0.748988 |
CC(C)c1ccc2c(F)c(C(=O)O)[nH]c2c1 | CC(C)c1ccc2cc(C(N)=O)[nH]c2c1 | c1ccc2[nH]ccc2c1 | 0.651466 |
O=C(O)c1cc2ccc(Cl)cc2[nH]1 | CC(C)c1ccc2cc(C(N)=O)[nH]c2c1 | c1ccc2[nH]ccc2c1 | 0.554745 |
CC(C)c1cc(F)c2cc(C(=O)O)[nH]c2c1 | CC(C)c1ccc2cc(C(N)=O)[nH]c2c1 | c1ccc2[nH]ccc2c1 | 0.658979 |
CC(C)c1ccc2cc(C(=O)O)[nH]c2c1F | CC(C)c1ccc2cc(C(N)=O)[nH]c2c1 | c1ccc2[nH]ccc2c1 | 0.650485 |
CC(C)c1cc(Cl)c2cc(C(=O)O)[nH]c2c1 | CC(C)c1ccc2cc(C(N)=O)[nH]c2c1 | c1ccc2[nH]ccc2c1 | 0.665557 |
CC(C)c1ccc2cc(C(=O)O)[nH]c2c1Cl | CC(C)c1ccc2cc(C(N)=O)[nH]c2c1 | c1ccc2[nH]ccc2c1 | 0.63233 |
CC(C)c1cc2[nH]c(C(=O)O)cc2cc1F | CC(C)c1ccc2cc(C(N)=O)[nH]c2c1 | c1ccc2[nH]ccc2c1 | 0.699825 |
CC(C)c1ccc2cc(C(=O)O)n(C)c2c1 | CC(C)c1ccc2cc(C(N)=O)[nH]c2c1 | c1ccc2[nH]ccc2c1 | 0.650246 |
O=[N+]([O-])c1cccc2[nH]nnc12 | O=[N+]([O-])c1cccc2c1nnn2CCCCl | c1ccc2[nH]nnc2c1 | 0.688226 |
O=[N+]([O-])c1cccc2[nH]nnc12 | CCCCCCn1nnc2c([N+](=O)[O-])cccc21 | c1ccc2[nH]nnc2c1 | 0.680328 |
NCCCc1cn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1 | CN(C)CCc1cn(Cc2ccccc2)nn1 | c1ccc(Cn2ccnn2)cc1 | 0.662626 |
NCCc1cn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1 | CN(C)CCc1cn(Cc2ccccc2)nn1 | c1ccc(Cn2ccnn2)cc1 | 0.753813 |
CC(C)(C)c1cc(Cn2cc(CCCN)nn2)cc(C(C)(C)C)c1 | CN(C)CCc1cn(Cc2ccccc2)nn1 | c1ccc(Cn2ccnn2)cc1 | 0.665992 |
CC(C)(C)c1cc(Cn2cc(CCCN)nn2)cc(C(C)(C)C)c1 | NCCc1cn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1 | c1ccc(Cn2ccnn2)cc1 | 0.705545 |
CC(C)(C)c1cc(Cn2cc(CCCN)nn2)cc(C(C)(C)C)c1 | N=C(N)NCCCc1cn(Cc2ccccc2)nn1 | c1ccc(Cn2ccnn2)cc1 | 0.753086 |
NCCc1cn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1 | N=C(N)NCCCc1cn(Cc2ccccc2)nn1 | c1ccc(Cn2ccnn2)cc1 | 0.668 |
NCCCc1cn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1 | N=C(N)NCCCc1cn(Cc2ccccc2)nn1 | c1ccc(Cn2ccnn2)cc1 | 0.767635 |
CC(C)(C)c1cc(Cn2cc(CCCN)nn2)cc(C(C)(C)C)c1 | N=C(N)NCCc1cn(Cc2ccccc2)nn1 | c1ccc(Cn2ccnn2)cc1 | 0.652259 |
NCCc1cn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1 | N=C(N)NCCc1cn(Cc2ccccc2)nn1 | c1ccc(Cn2ccnn2)cc1 | 0.739958 |
NCCCc1cn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1 | N=C(N)NCCc1cn(Cc2ccccc2)nn1 | c1ccc(Cn2ccnn2)cc1 | 0.655512 |
CC(C)(C)c1cc(Cn2cc(CCCN)nn2)cc(C(C)(C)C)c1 | NCCc1cn(Cc2ccccc2)nn1 | c1ccc(Cn2ccnn2)cc1 | 0.684211 |
NCCc1cn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1 | NCCc1cn(Cc2ccccc2)nn1 | c1ccc(Cn2ccnn2)cc1 | 0.789474 |
NCCCc1cn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1 | NCCc1cn(Cc2ccccc2)nn1 | c1ccc(Cn2ccnn2)cc1 | 0.687764 |
CC(C)c1ccc2cc(C(=O)O)[nH]c2c1Cl | CC(C)c1ccc2cc(C(=O)O)n(C)c2c1 | c1ccc2[nH]ccc2c1 | 0.686589 |
CC(C)c1cc(Cl)c2cc(C(=O)O)[nH]c2c1 | CC(C)c1ccc2cc(C(=O)O)n(C)c2c1 | c1ccc2[nH]ccc2c1 | 0.722137 |
CC(C)c1cc(Cl)c2cc(C(=O)O)[nH]c2c1F | CCc1ccc2cc(C(=O)O)[nH]c2c1 | c1ccc2[nH]ccc2c1 | 0.615942 |
CC(C)c1cc(Cl)c2cc(C(=O)O)[nH]c2c1F | CC(C)c1ccc2c(F)c(C(=O)O)[nH]c2c1 | c1ccc2[nH]ccc2c1 | 0.747238 |
CCc1ccc2cc(C(=O)O)[nH]c2c1 | CC(C)c1ccc2c(F)c(C(=O)O)[nH]c2c1 | c1ccc2[nH]ccc2c1 | 0.73913 |
CC(C)c1cc(Cl)c2cc(C(=O)O)[nH]c2c1F | O=C(O)c1cc2ccc(Cl)cc2[nH]1 | c1ccc2[nH]ccc2c1 | 0.58705 |
CC(C)c1ccc2c(F)c(C(=O)O)[nH]c2c1 | O=C(O)c1cc2ccc(Cl)cc2[nH]1 | c1ccc2[nH]ccc2c1 | 0.598706 |
O=[N+]([O-])c1cccc2[nH]nnc12 | CCCn1nnc2c([N+](=O)[O-])cccc21 | c1ccc2[nH]nnc2c1 | 0.70339 |
O=[N+]([O-])c1cccc2[nH]nnc12 | CCCCn1nnc2c([N+](=O)[O-])cccc21 | c1ccc2[nH]nnc2c1 | 0.691667 |
CCc1ccc2cc(C(=O)O)[nH]c2c1 | CC(C)c1cc(F)c2cc(C(=O)O)[nH]c2c1 | c1ccc2[nH]ccc2c1 | 0.748239 |
O=C(O)c1cc2ccc(Cl)cc2[nH]1 | CC(C)c1cc(F)c2cc(C(=O)O)[nH]c2c1 | c1ccc2[nH]ccc2c1 | 0.600326 |
CC(C)c1cc(Cl)c2cc(C(=O)O)[nH]c2c1F | COC(=O)c1cc2ccc(C(C)C)cc2[nH]1 | c1ccc2[nH]ccc2c1 | 0.637131 |
Subsets and Splits