prompt
stringlengths 49
173
| first_mask_count
int64 0
16
| first_start_index
int64 0
122
| first_mask_gen_count
int64 1
16
| first_mask_tokens
stringlengths 0
16
| first_mask_gen_count_real
int64 0
18
| generated_smiles
stringlengths 12
145
| original_smiles
stringlengths 12
137
| generated_tokens
stringlengths 0
18
|
---|---|---|---|---|---|---|---|---|
<|startoftext|><L>C[C@@H](c1cnc<mask_1:7>n1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1<mask_1:7> | 1 | 13 | 7 | c | 7 | C[C@@H](c1cnc2ccccc2n1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1 | C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1 | 2ccccc2 |
<|startoftext|><L>C<mask_1:7>C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1<mask_1:7> | 1 | 1 | 7 | [ | 7 | CCN(CC)[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1 | C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1 | CN(CC)[ |
<|startoftext|><L>C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)n<mask_1:5>1<mask_1:5> | 1 | 47 | 5 | o | 5 | C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)nc(O)n1 | C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1 | c(O)n |
<|startoftext|><L>C[C@@H](c1cnccn1)c1nc(<mask_1:5>=O)OC(C)(C)C)CCC2)no1<mask_1:5> | 6 | 22 | 5 | C2(NC( | 5 | C[C@@H](c1cnccn1)c1nc(C2(C(=O)OC(C)(C)C)CCC2)no1 | C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1 | C2(C( |
<|startoftext|><L>C[C@@H](c1cnccn1)c1nc(C2(NC(<mask_1:6>)(C)C)CCC2)no1<mask_1:6> | 7 | 28 | 6 | =O)OC(C | 6 | C[C@@H](c1cnccn1)c1nc(C2(NC(=O)C(C)(C)C)CCC2)no1 | C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1 | =O)C(C |
<|startoftext|><L>C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)<mask_1:3>CC2)no1<mask_1:3> | 6 | 36 | 3 | (C)C)C | 3 | C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)C)CCC2)no1 | C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1 | C)C |
<|startoftext|><L>C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C<mask_1:4>CCC2)no1<mask_1:4> | 3 | 38 | 4 | )C) | 4 | C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C)C)CCCC2)no1 | C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1 | )C)C |
<|startoftext|><L>C[C@@H](c1<mask_1:3>)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1<mask_1:3> | 6 | 10 | 3 | cnccn1 | 3 | C[C@@H](c1cs1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1 | C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1 | cs1 |
<|startoftext|><L>C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC<mask_1:5>)CCC2)no1<mask_1:5> | 7 | 33 | 5 | (C)(C)C | 5 | C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OCC3CC3)CCC2)no1 | C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1 | C3CC3 |
<|startoftext|><L><mask_1:5>@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1<mask_1:5> | 3 | 0 | 5 | C[C | 5 | CCO[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1 | C[C@@H](c1cnccn1)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1 | CCO[C |
<|startoftext|><L><mask_1:1>1noc(C)c1S(=O)(=O)N1CC[C@H](C(=O)O)C1<mask_1:1> | 2 | 0 | 1 | Cc | 1 | c1noc(C)c1S(=O)(=O)N1CC[C@H](C(=O)O)C1 | Cc1noc(C)c1S(=O)(=O)N1CC[C@H](C(=O)O)C1 | c |
<|startoftext|><L>Cc1noc(C)c1S(=O)(=O)N1CC[C<mask_1:3>](C(=O)O)C1<mask_1:3> | 2 | 26 | 3 | @H | 3 | Cc1noc(C)c1S(=O)(=O)N1CC[C@@H](C(=O)O)C1 | Cc1noc(C)c1S(=O)(=O)N1CC[C@H](C(=O)O)C1 | @@H |
<|startoftext|><L>Cc1noc(C)c<mask_1:4>=O)(=O)N1CC[C@H](C(=O)O)C1<mask_1:4> | 3 | 10 | 4 | 1S( | 4 | Cc1noc(C)c1CS(=O)(=O)N1CC[C@H](C(=O)O)C1 | Cc1noc(C)c1S(=O)(=O)N1CC[C@H](C(=O)O)C1 | 1CS( |
<|startoftext|><L>Cc1noc<mask_1:5>)c1S(=O)(=O)N1CC[C@H](C(=O)O)C1<mask_1:5> | 2 | 6 | 5 | (C | 5 | Cc1noc(CCCN)c1S(=O)(=O)N1CC[C@H](C(=O)O)C1 | Cc1noc(C)c1S(=O)(=O)N1CC[C@H](C(=O)O)C1 | (CCCN |
<|startoftext|><L>Cc1no<mask_1:2>1S(=O)(=O)N1CC[C@H](C(=O)O)C1<mask_1:2> | 5 | 5 | 2 | c(C)c | 2 | Cc1nocc1S(=O)(=O)N1CC[C@H](C(=O)O)C1 | Cc1noc(C)c1S(=O)(=O)N1CC[C@H](C(=O)O)C1 | cc |
<|startoftext|><L>Cc1noc(C)c1S(=O)(=O<mask_1:5>CC[C@H](C(=O)O)C1<mask_1:5> | 3 | 19 | 5 | )N1 | 5 | Cc1noc(C)c1S(=O)(=O)N1CCCC[C@H](C(=O)O)C1 | Cc1noc(C)c1S(=O)(=O)N1CC[C@H](C(=O)O)C1 | )N1CC |
<|startoftext|><L>Cc1<mask_1:5>C)c1S(=O)(=O)N1CC[C@H](C(=O)O)C1<mask_1:5> | 4 | 3 | 5 | noc( | 5 | Cc1cccc(C)c1S(=O)(=O)N1CC[C@H](C(=O)O)C1 | Cc1noc(C)c1S(=O)(=O)N1CC[C@H](C(=O)O)C1 | cccc( |
<|startoftext|><L>Cc1noc(C)c1S(=O)(=O)N1CC[C@H](C(=O)<mask_1:3>)C1<mask_1:3> | 1 | 35 | 3 | O | 3 | Cc1noc(C)c1S(=O)(=O)N1CC[C@H](C(=O)OCC)C1 | Cc1noc(C)c1S(=O)(=O)N1CC[C@H](C(=O)O)C1 | OCC |
<|startoftext|><L>Cc1noc(C)c1S(=O)(=O)N1CC[<mask_1:5>](C(=O)O)C1<mask_1:5> | 3 | 25 | 5 | C@H | 4 | Cc1noc(C)c1S(=O)(=O)N1CC[C@@H](C(=O)O)C1 | Cc1noc(C)c1S(=O)(=O)N1CC[C@H](C(=O)O)C1 | C@@H |
<|startoftext|><L>Cc1noc(C)c1S(=<mask_1:3>O)N1CC[C@H](C(=O)O)C1<mask_1:3> | 4 | 14 | 3 | O)(= | 3 | Cc1noc(C)c1S(=O)(O)N1CC[C@H](C(=O)O)C1 | Cc1noc(C)c1S(=O)(=O)N1CC[C@H](C(=O)O)C1 | O)( |
<|startoftext|><L>CN(C)c1ccc(NC(=<mask_1:5>ccc3[nH]c4nc5ccccc5nc4c3c2)cc1<mask_1:5> | 4 | 15 | 5 | O)c2 | 5 | CN(C)c1ccc(NC(=O)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 | CN(C)c1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 | O)Nc2 |
<|startoftext|><L>CN(C)c1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc<mask_1:7>c4c3c2)cc1<mask_1:7> | 2 | 37 | 7 | 5n | 7 | CN(C)c1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc(=O)c4c3c2)cc1 | CN(C)c1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 | 5nc(=O) |
<|startoftext|><L>CN(C)c1cc<mask_1:5>)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1<mask_1:5> | 7 | 9 | 5 | c(NC(=O | 5 | CN(C)c1ccc(N(C)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 | CN(C)c1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 | c(N(C |
<|startoftext|><L>CN(C)c1ccc<mask_1:5>=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1<mask_1:5> | 4 | 10 | 5 | (NC( | 5 | CN(C)c1ccc(CNC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 | CN(C)c1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 | (CNC( |
<|startoftext|><L>CN(C)c<mask_1:1>(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1<mask_1:1> | 4 | 6 | 1 | 1ccc | 1 | CN(C)c1(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 | CN(C)c1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 | 1 |
<|startoftext|><L>CN(C)c1ccc(NC<mask_1:7>(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1<mask_1:7> | 0 | 13 | 7 | 7 | CN(C)c1ccc(NC(=O)COC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 | CN(C)c1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 | (=O)COC |
|
<|startoftext|><L>CN(C)c1ccc<mask_1:4>c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1<mask_1:4> | 7 | 10 | 4 | (NC(=O) | 4 | CN(C)c1ccc(CNCc2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 | CN(C)c1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 | (CNC |
<|startoftext|><L>CN(C)<mask_1:2>1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1<mask_1:2> | 1 | 5 | 2 | c | 2 | CN(C)Cc1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 | CN(C)c1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 | Cc |
<|startoftext|><L><mask_1:1>CN(C)c1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1<mask_1:1> | 0 | 0 | 1 | 1 | CCN(C)c1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 | CN(C)c1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 | C |
|
<|startoftext|><L>C<mask_1:7>C)c1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1<mask_1:7> | 2 | 1 | 7 | N( | 7 | CC[C@H](C)c1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 | CN(C)c1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 | C[C@H]( |
<|startoftext|><L>CN1C(=O)<mask_1:5>](C(=O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1<mask_1:5> | 6 | 8 | 5 | CC[C@H | 5 | CN1C(=O)C[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1 | CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1 | C[C@H |
<|startoftext|><L>CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC<mask_1:8>)[C@@H]1c1ccccc1<mask_1:8> | 1 | 41 | 8 | 2 | 8 | CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)[CH](O)[C@@H]1c1ccccc1 | CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1 | 2)[CH](O |
<|startoftext|><L>CN1C(=O)CC[C@H](C<mask_1:1>O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1<mask_1:1> | 2 | 17 | 1 | (= | 1 | CN1C(=O)CC[C@H](C(O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1 | CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1 | ( |
<|startoftext|><L>CN1C(<mask_1:7>O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1<mask_1:7> | 1 | 5 | 7 | = | 7 | CN1C(=O)NC(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1 | CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1 | =O)NC(= |
<|startoftext|><L>CN1C(=O)CC[C@H](C(=O)N2C<mask_1:8>c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1<mask_1:8> | 3 | 24 | 8 | CN( | 8 | CN1C(=O)CC[C@H](C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1 | CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1 | CN(C(=O) |
<|startoftext|><L>CN1C(=O)CC[C@H](C(=O)N<mask_1:3>2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1<mask_1:3> | 0 | 22 | 3 | 3 | CN1C(=O)CC[C@H](C(=O)NCCN2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1 | CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1 | CCN |
|
<|startoftext|><L>CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O<mask_1:7>)[C@@H]1c1ccccc1<mask_1:7> | 8 | 34 | 7 | )cc3)CC2 | 7 | CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)C2)[C@@H]1c1ccccc1 | CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1 | )cc3)C2 |
<|startoftext|><L>CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1cc<mask_1:7>1<mask_1:7> | 3 | 54 | 7 | ccc | 7 | CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccc(Cl)cc1 | CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1 | c(Cl)cc |
<|startoftext|><L>CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)C<mask_1:1>C2)[C@@H]1c1ccccc1<mask_1:1> | 0 | 40 | 1 | 1 | CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)CCC2)[C@@H]1c1ccccc1 | CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1 | C |
|
<|startoftext|><L>CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc<mask_1:8>O)cc3)CC2)[C@@H]1c1ccccc1<mask_1:8> | 1 | 32 | 8 | ( | 8 | CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(CC(=O)OO)cc3)CC2)[C@@H]1c1ccccc1 | CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1 | (CC(=O)O |
<|startoftext|><L>COc1ccccc1<mask_1:1>1nc2c(s1)CCc1ccccc1-2<mask_1:1> | 2 | 10 | 1 | Nc | 1 | COc1ccccc1c1nc2c(s1)CCc1ccccc1-2 | COc1ccccc1Nc1nc2c(s1)CCc1ccccc1-2 | c |
<|startoftext|><L>CO<mask_1:2>c1ccccc1Nc1nc2c(s1)CCc1ccccc1-2<mask_1:2> | 0 | 2 | 2 | 2 | COCCc1ccccc1Nc1nc2c(s1)CCc1ccccc1-2 | COc1ccccc1Nc1nc2c(s1)CCc1ccccc1-2 | CC |
|
<|startoftext|><L>COc1ccccc1Nc1nc2c(s1)CCc1ccc<mask_1:2>-2<mask_1:2> | 3 | 28 | 2 | cc1 | 2 | COc1ccccc1Nc1nc2c(s1)CCc1cccn1-2 | COc1ccccc1Nc1nc2c(s1)CCc1ccccc1-2 | n1 |
<|startoftext|><L><mask_1:4>1ccccc1Nc1nc2c(s1)CCc1ccccc1-2<mask_1:4> | 3 | 0 | 4 | COc | 4 | CCOc1ccccc1Nc1nc2c(s1)CCc1ccccc1-2 | COc1ccccc1Nc1nc2c(s1)CCc1ccccc1-2 | CCOc |
<|startoftext|><L>CO<mask_1:3>ccccc1Nc1nc2c(s1)CCc1ccccc1-2<mask_1:3> | 2 | 2 | 3 | c1 | 3 | COCc1ccccc1Nc1nc2c(s1)CCc1ccccc1-2 | COc1ccccc1Nc1nc2c(s1)CCc1ccccc1-2 | Cc1 |
<|startoftext|><L>COc1ccccc1Nc1nc2c(s1)CCc1cc<mask_1:1>c1-2<mask_1:1> | 2 | 27 | 1 | cc | 1 | COc1ccccc1Nc1nc2c(s1)CCc1ccoc1-2 | COc1ccccc1Nc1nc2c(s1)CCc1ccccc1-2 | o |
<|startoftext|><L>COc1ccccc1Nc1nc2c(s1)CC<mask_1:1>cccc1-2<mask_1:1> | 3 | 23 | 1 | c1c | 1 | COc1ccccc1Nc1nc2c(s1)CC1cccc1-2 | COc1ccccc1Nc1nc2c(s1)CCc1ccccc1-2 | 1 |
<|startoftext|><L>COc1ccccc1Nc1nc2c(s1)CC<mask_1:3>ccccc1-2<mask_1:3> | 2 | 23 | 3 | c1 | 3 | COc1ccccc1Nc1nc2c(s1)CCOc1ccccc1-2 | COc1ccccc1Nc1nc2c(s1)CCc1ccccc1-2 | Oc1 |
<|startoftext|><L>COc1cc<mask_1:3>ccc1Nc1nc2c(s1)CCc1ccccc1-2<mask_1:3> | 0 | 6 | 3 | 3 | COc1cc(C)ccc1Nc1nc2c(s1)CCc1ccccc1-2 | COc1ccccc1Nc1nc2c(s1)CCc1ccccc1-2 | (C) |
|
<|startoftext|><L>COc<mask_1:3>cc1Nc1nc2c(s1)CCc1ccccc1-2<mask_1:3> | 4 | 3 | 3 | 1ccc | 3 | COc1nscc1Nc1nc2c(s1)CCc1ccccc1-2 | COc1ccccc1Nc1nc2c(s1)CCc1ccccc1-2 | 1ns |
<|startoftext|><L>COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccco3)<mask_1:2>)cc1<mask_1:2> | 3 | 36 | 2 | CC2 | 2 | COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccco3)C2)cc1 | COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccco3)CC2)cc1 | C2 |
<|startoftext|><L>COc1ccc(CCS(=O)(=O)<mask_1:1>NCC2CCN(Cc3ccco3)CC2)cc1<mask_1:1> | 0 | 19 | 1 | 1 | COc1ccc(CCS(=O)(=O)CNCC2CCN(Cc3ccco3)CC2)cc1 | COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccco3)CC2)cc1 | C |
|
<|startoftext|><L>COc1ccc(CCS(=O)(=O)N<mask_1:5>(Cc3ccco3)CC2)cc1<mask_1:5> | 6 | 20 | 5 | CC2CCN | 5 | COc1ccc(CCS(=O)(=O)N2CCCN(Cc3ccco3)CC2)cc1 | COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccco3)CC2)cc1 | 2CCCN |
<|startoftext|><L>COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccc<mask_1:6>CC2)cc1<mask_1:6> | 3 | 33 | 6 | o3) | 6 | COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccc(C)o3)CC2)cc1 | COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccco3)CC2)cc1 | (C)o3) |
<|startoftext|><L>COc1ccc(CCS(=O)(=O)N<mask_1:2>CC2CCN(Cc3ccco3)CC2)cc1<mask_1:2> | 0 | 20 | 2 | 2 | COc1ccc(CCS(=O)(=O)NCCCC2CCN(Cc3ccco3)CC2)cc1 | COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccco3)CC2)cc1 | CC |
|
<|startoftext|><L>COc1ccc(CCS(=O)(=O)N<mask_1:3>N(Cc3ccco3)CC2)cc1<mask_1:3> | 5 | 20 | 3 | CC2CC | 3 | COc1ccc(CCS(=O)(=O)N2CCN(Cc3ccco3)CC2)cc1 | COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccco3)CC2)cc1 | 2CC |
<|startoftext|><L>COc1ccc(CCS(=O)(=O)NCC2C<mask_1:6>(Cc3ccco3)CC2)cc1<mask_1:6> | 2 | 24 | 6 | CN | 6 | COc1ccc(CCS(=O)(=O)NCC2CCN(C)C(Cc3ccco3)CC2)cc1 | COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccco3)CC2)cc1 | CN(C)C |
<|startoftext|><L>COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3c<mask_1:5>co3)CC2)cc1<mask_1:5> | 1 | 31 | 5 | c | 5 | COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3cc(CO)co3)CC2)cc1 | COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccco3)CC2)cc1 | c(CO) |
<|startoftext|><L>COc1ccc(CCS(=O)(=O)NC<mask_1:6>(Cc3ccco3)CC2)cc1<mask_1:6> | 5 | 21 | 6 | C2CCN | 6 | COc1ccc(CCS(=O)(=O)NCC2=CCN(Cc3ccco3)CC2)cc1 | COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccco3)CC2)cc1 | C2=CCN |
<|startoftext|><L>COc1ccc(CCS(=O)(=O)NCC2<mask_1:6>N(Cc3ccco3)CC2)cc1<mask_1:6> | 2 | 23 | 6 | CC | 6 | COc1ccc(CCS(=O)(=O)NCC2(CO)CCN(Cc3ccco3)CC2)cc1 | COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccco3)CC2)cc1 | (CO)CC |
<|startoftext|><L>O=C(NCCC1C<mask_1:5>C(=O)Nc1ccc(C(F)(F)F)nc1<mask_1:5> | 4 | 10 | 5 | CC1) | 5 | O=C(NCCC1CCCC1)C(=O)Nc1ccc(C(F)(F)F)nc1 | O=C(NCCC1CCC1)C(=O)Nc1ccc(C(F)(F)F)nc1 | CCC1) |
<|startoftext|><L>O=C(NCCC<mask_1:2>)C(=O)Nc1ccc(C(F)(F)F)nc1<mask_1:2> | 5 | 8 | 2 | 1CCC1 | 2 | O=C(NCCCCO)C(=O)Nc1ccc(C(F)(F)F)nc1 | O=C(NCCC1CCC1)C(=O)Nc1ccc(C(F)(F)F)nc1 | CO |
<|startoftext|><L>O=C(NCCC1CCC1)C(=O)Nc1ccc(<mask_1:2>C(F)(F)F)nc1<mask_1:2> | 0 | 26 | 2 | 2 | O=C(NCCC1CCC1)C(=O)Nc1ccc(OCC(F)(F)F)nc1 | O=C(NCCC1CCC1)C(=O)Nc1ccc(C(F)(F)F)nc1 | OC |
|
<|startoftext|><L>O=C(NC<mask_1:3>CC1)C(=O)Nc1ccc(C(F)(F)F)nc1<mask_1:3> | 4 | 6 | 3 | CC1C | 3 | O=C(NC1CCCC1)C(=O)Nc1ccc(C(F)(F)F)nc1 | O=C(NCCC1CCC1)C(=O)Nc1ccc(C(F)(F)F)nc1 | 1CC |
<|startoftext|><L>O=C(<mask_1:3>CCC1CCC1)C(=O)Nc1ccc(C(F)(F)F)nc1<mask_1:3> | 1 | 4 | 3 | N | 3 | O=C(NCCCCC1CCC1)C(=O)Nc1ccc(C(F)(F)F)nc1 | O=C(NCCC1CCC1)C(=O)Nc1ccc(C(F)(F)F)nc1 | NCC |
<|startoftext|><L>O=C(NCCC1CCC1)C(=O)Nc1ccc(C(F)(F<mask_1:2>F)nc1<mask_1:2> | 1 | 32 | 2 | ) | 2 | O=C(NCCC1CCC1)C(=O)Nc1ccc(C(F)(F)CF)nc1 | O=C(NCCC1CCC1)C(=O)Nc1ccc(C(F)(F)F)nc1 | )C |
<|startoftext|><L>O=C(NCCC1CCC1)C(=O)Nc1c<mask_1:1>C(F)(F)F)nc1<mask_1:1> | 3 | 23 | 1 | cc( | 1 | O=C(NCCC1CCC1)C(=O)Nc1c(C(F)(F)F)nc1 | O=C(NCCC1CCC1)C(=O)Nc1ccc(C(F)(F)F)nc1 | ( |
<|startoftext|><L>O=C(NCCC1CCC1)C(=O)Nc1ccc(C<mask_1:2>F)F)nc1<mask_1:2> | 4 | 27 | 2 | (F)( | 2 | O=C(NCCC1CCC1)C(=O)Nc1ccc(CC(F)F)nc1 | O=C(NCCC1CCC1)C(=O)Nc1ccc(C(F)(F)F)nc1 | C( |
<|startoftext|><L>O=C(NCCC1CCC<mask_1:5>(=O)Nc1ccc(C(F)(F)F)nc1<mask_1:5> | 3 | 12 | 5 | 1)C | 5 | O=C(NCCC1CCCCC1)C(=O)Nc1ccc(C(F)(F)F)nc1 | O=C(NCCC1CCC1)C(=O)Nc1ccc(C(F)(F)F)nc1 | CC1)C |
<|startoftext|><L><mask_1:2>(NCCC1CCC1)C(=O)Nc1ccc(C(F)(F)F)nc1<mask_1:2> | 3 | 0 | 2 | O=C | 2 | CN(NCCC1CCC1)C(=O)Nc1ccc(C(F)(F)F)nc1 | O=C(NCCC1CCC1)C(=O)Nc1ccc(C(F)(F)F)nc1 | CN |
<|startoftext|><L>CC<mask_1:7>C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1<mask_1:7> | 8 | 2 | 7 | (=O)N1CC | 7 | CC[C@@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 | CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 | [C@@H]1 |
<|startoftext|><L><mask_1:8>)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1<mask_1:8> | 5 | 0 | 8 | CC(=O | 8 | COCCC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 | CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 | COCCC(=O |
<|startoftext|><L>CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c<mask_1:5>)OCCO3)CC1<mask_1:5> | 3 | 44 | 5 | (c2 | 5 | CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2Cl)OCCO3)CC1 | CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 | (c2Cl |
<|startoftext|><L>CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)O<mask_1:6>)CC1<mask_1:6> | 4 | 49 | 6 | CCO3 | 6 | CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCOCC3)CC1 | CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 | CCOCC3 |
<|startoftext|><L>CC(=O)N1CCC[C@H]1C(<mask_1:8>1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1<mask_1:8> | 4 | 19 | 8 | =O)N | 8 | CC(=O)N1CCC[C@H]1C(=O)N(C)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 | CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 | =O)N(C)C |
<|startoftext|><L>CC(=O)N1CCC[C@H]<mask_1:3>(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1<mask_1:3> | 2 | 16 | 3 | 1C | 3 | CC(=O)N1CCC[C@H]1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 | CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 | 1CC |
<|startoftext|><L>CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2<mask_1:7>)OCCO3)CC1<mask_1:7> | 0 | 47 | 7 | 6 | CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)OCCO3)CC1 | CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 | )NC(=O |
|
<|startoftext|><L>CC(=O)N1CCC[C@H]1C(=O)N1CC<mask_1:6>N(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1<mask_1:6> | 0 | 26 | 6 | 6 | CC(=O)N1CCC[C@H]1C(=O)N1CCCC(=O)N(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 | CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 | CC(=O) |
|
<|startoftext|><L>CC(=O)N1CCC[C@H]1C(=O)N1<mask_1:6>O)(=O)c2ccc3c(c2)OCCO3)CC1<mask_1:6> | 7 | 24 | 6 | CCN(S(= | 6 | CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(O)(=O)c2ccc3c(c2)OCCO3)CC1 | CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 | CCN(S( |
<|startoftext|><L>CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(<mask_1:2>c2ccc3c(c2)OCCO3)CC1<mask_1:2> | 7 | 30 | 2 | =O)(=O) | 2 | CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(C)c2ccc3c(c2)OCCO3)CC1 | CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 | C) |
<|startoftext|><L>CC(C)[C@@H](NC(=O)c1ccccc1<mask_1:3>=O)NC[C@@H](C)CNC(=O)OC(C)(C)C<mask_1:3> | 5 | 26 | 3 | Cl)C( | 3 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C | CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C | )C( |
<|startoftext|><L>CC(C)[C@@H]<mask_1:1>C(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C<mask_1:1> | 2 | 11 | 1 | (N | 1 | CC(C)[C@@H](C(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C | CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C | ( |
<|startoftext|><L>CC(C)[C@@H](NC(=O)c1ccccc1<mask_1:5>)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C<mask_1:5> | 2 | 26 | 5 | Cl | 5 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C | CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C | )C(=O |
<|startoftext|><L>CC(C)[C@@H](N<mask_1:8>c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C<mask_1:8> | 5 | 13 | 8 | C(=O) | 8 | CC(C)[C@@H](NC(=O)CSCc1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C | CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C | C(=O)CSC |
<|startoftext|><L>CC(C<mask_1:2>(NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C<mask_1:2> | 7 | 4 | 2 | )[C@@H] | 2 | CC(C)C(NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C | CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C | )C |
<|startoftext|><L>CC(C)[C@@<mask_1:4>(NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C<mask_1:4> | 2 | 9 | 4 | H] | 4 | CC(C)[C@@](C)(NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C | CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C | ](C) |
<|startoftext|><L>CC(C)[<mask_1:1>H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C<mask_1:1> | 3 | 6 | 1 | C@@ | 1 | CC(C)[CH](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C | CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C | C |
<|startoftext|><L>CC(C)[C@@H](NC(=O)c1ccccc1C<mask_1:9>(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C<mask_1:9> | 3 | 27 | 9 | l)C | 9 | CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C | CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C | l)C(=O)NC |
<|startoftext|><L>CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H<mask_1:1>NC(=O)OC(C)(C)C<mask_1:1> | 5 | 41 | 1 | ](C)C | 1 | CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H]NC(=O)OC(C)(C)C | CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C | ] |
<|startoftext|><L>CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](<mask_1:9>)CNC(=O)OC(C)(C)C<mask_1:9> | 1 | 43 | 9 | C | 9 | CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](Cc1ccccc1)CNC(=O)OC(C)(C)C | CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C | Cc1ccccc1 |
<|startoftext|><L>CC1=C(C(=O)Nc2ccccn2)[C@@H](c2<mask_1:2>N(C)C)cc2)n2ncnc2N1<mask_1:2> | 4 | 30 | 2 | ccc( | 2 | CC1=C(C(=O)Nc2ccccn2)[C@@H](c2c(N(C)C)cc2)n2ncnc2N1 | CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1 | c( |
<|startoftext|><L>CC1=C(C(=O)Nc2ccccn2)[C@@H](<mask_1:6>2ccc(N(C)C)cc2)n2ncnc2N1<mask_1:6> | 1 | 28 | 6 | c | 6 | CC1=C(C(=O)Nc2ccccn2)[C@@H](C(=O)c2ccc(N(C)C)cc2)n2ncnc2N1 | CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1 | C(=O)c |
<|startoftext|><L>CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cc<mask_1:6>C)C)cc2)n2ncnc2N1<mask_1:6> | 4 | 32 | 6 | c(N( | 6 | CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(OCC(C)C)cc2)n2ncnc2N1 | CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1 | c(OCC( |
<|startoftext|><L>CC1=C(C<mask_1:4>ccccn2)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1<mask_1:4> | 7 | 7 | 4 | (=O)Nc2 | 4 | CC1=C(CSCc2ccccn2)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1 | CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1 | SCc2 |
<|startoftext|><L>CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(N(C)C)cc2)<mask_1:5>2N1<mask_1:5> | 6 | 44 | 5 | n2ncnc | 6 | CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1 | CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1 | n2ncnc |
<|startoftext|><L>CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(<mask_1:6>C)cc2)n2ncnc2N1<mask_1:6> | 4 | 34 | 6 | N(C) | 6 | CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(OCC(C)C)cc2)n2ncnc2N1 | CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1 | OCC(C) |
<|startoftext|><L>CC1=C(C(=O)Nc2ccccn2)[C@@H](c2c<mask_1:7>(C)C)cc2)n2ncnc2N1<mask_1:7> | 4 | 31 | 7 | cc(N | 7 | CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(C(C)(C)C)cc2)n2ncnc2N1 | CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1 | cc(C(C) |
<|startoftext|><L>CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(N(C)C)cc2)n2nc<mask_1:7>N1<mask_1:7> | 3 | 48 | 7 | nc2 | 7 | CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(N(C)C)cc2)n2nc(C)nc2NN1 | CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1 | (C)nc2N |
<|startoftext|><L>CC1=C(C(=O)Nc2ccccn2)[C@@H](c2c<mask_1:7>C)C)cc2)n2ncnc2N1<mask_1:7> | 5 | 31 | 7 | cc(N( | 7 | CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(OCC(C)C)cc2)n2ncnc2N1 | CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1 | cc(OCC( |
<|startoftext|><L>CC1=C(C(=O)Nc2ccc<mask_1:6>C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1<mask_1:6> | 5 | 17 | 6 | cn2)[ | 6 | CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1 | CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1 | cc2C)[ |