prompt
stringlengths 47
203
| first_mask_count
int64 0
16
| first_start_index
int64 0
157
| first_mask_gen_count
int64 1
16
| first_mask_tokens
stringlengths 0
16
| first_mask_gen_count_real
int64 0
18
| generated_smiles
stringlengths 10
174
| original_smiles
stringlengths 10
164
| generated_tokens
stringlengths 0
18
|
---|---|---|---|---|---|---|---|---|
<|startoftext|><L>O=C(<mask_1:5>CNC(=O)c1ccsc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1<mask_1:5> | 2 | 4 | 5 | CC | 5 | O=C(CCCCCCNC(=O)c1ccsc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 | O=C(CCCNC(=O)c1ccsc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 | CCCCC |
<|startoftext|><L><mask_1:5>CNC(=O)c1ccsc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1<mask_1:5> | 6 | 0 | 5 | O=C(CC | 5 | O=C(CCNC(=O)c1ccsc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 | O=C(CCCNC(=O)c1ccsc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 | O=C(C |
<|startoftext|><L>O<mask_1:4>CCCNC(=O)c1ccsc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1<mask_1:4> | 3 | 1 | 4 | =C( | 4 | O=C(NCCCNC(=O)c1ccsc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 | O=C(CCCNC(=O)c1ccsc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 | =C(N |
<|startoftext|><L>O=C(CCCNC(=O)c1ccsc1)Nc1cccc<mask_1:7>2nc3ccccn3c2=O)c1<mask_1:7> | 3 | 28 | 7 | (Cn | 7 | O=C(CCCNC(=O)c1ccsc1)Nc1cccc(C(=O)n2nc3ccccn3c2=O)c1 | O=C(CCCNC(=O)c1ccsc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 | (C(=O)n |
<|startoftext|><L>O<mask_1:3>C(=O)c1ccsc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1<mask_1:3> | 7 | 1 | 3 | =C(CCCN | 3 | O=C(C(=O)c1ccsc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 | O=C(CCCNC(=O)c1ccsc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 | =C( |
<|startoftext|><L>O=C(CCCNC(=O<mask_1:5>c1)Nc1cccc(Cn2nc3ccccn3c2=O)c1<mask_1:5> | 6 | 12 | 5 | )c1ccs | 5 | O=C(CCCNC(=O)C1CCc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 | O=C(CCCNC(=O)c1ccsc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 | )C1CC |
<|startoftext|><L>O=C(CCCNC(=<mask_1:4>sc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1<mask_1:4> | 6 | 11 | 4 | O)c1cc | 4 | O=C(CCCNC(=O)c1sc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 | O=C(CCCNC(=O)c1ccsc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 | O)c1 |
<|startoftext|><L>O=C(CCCNC(=O)c1ccsc1)Nc<mask_1:6>(Cn2nc3ccccn3c2=O)c1<mask_1:6> | 5 | 23 | 6 | 1cccc | 5 | O=C(CCCNC(=O)c1ccsc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 | O=C(CCCNC(=O)c1ccsc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 | 1cccc |
<|startoftext|><L>O=C(CCCNC(<mask_1:7>O)c1ccsc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1<mask_1:7> | 1 | 10 | 7 | = | 7 | O=C(CCCNC(=O)NC(=O)c1ccsc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 | O=C(CCCNC(=O)c1ccsc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 | =O)NC(= |
<|startoftext|><L>O=<mask_1:4>C(CCCNC(=O)c1ccsc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1<mask_1:4> | 0 | 2 | 4 | 4 | O=C(O)C(CCCNC(=O)c1ccsc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 | O=C(CCCNC(=O)c1ccsc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 | C(O) |
|
<|startoftext|><L><mask_1:2>H](Oc1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1<mask_1:2> | 4 | 0 | 2 | C[C@ | 2 | [CH](Oc1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 | C[C@H](Oc1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 | [C |
<|startoftext|><L>C[C@H](Oc1ccccc1F)C(=O)Nc1ccc([N+]<mask_1:2>-])cc1<mask_1:2> | 6 | 34 | 2 | (=O)[O | 2 | C[C@H](Oc1ccccc1F)C(=O)Nc1ccc([N+][O-])cc1 | C[C@H](Oc1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 | [O |
<|startoftext|><L>C[C@H](Oc1cccc<mask_1:5>=O)Nc1ccc([N+](=O)[O-])cc1<mask_1:5> | 6 | 14 | 5 | c1F)C( | 5 | C[C@H](Oc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 | C[C@H](Oc1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 | c1)C( |
<|startoftext|><L>C[C@H](Oc1ccccc1F)C(=O<mask_1:5>1ccc([N+](=O)[O-])cc1<mask_1:5> | 3 | 22 | 5 | )Nc | 5 | C[C@H](Oc1ccccc1F)C(=O)NCCc1ccc([N+](=O)[O-])cc1 | C[C@H](Oc1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 | )NCCc |
<|startoftext|><L>C[C@H](Oc1ccccc1F)C(=O<mask_1:5>c([N+](=O)[O-])cc1<mask_1:5> | 6 | 22 | 5 | )Nc1cc | 5 | C[C@H](Oc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])cc1 | C[C@H](Oc1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 | )c1cc |
<|startoftext|><L>C[C@H](Oc1ccccc1F)C(=O)Nc1ccc([N+](<mask_1:6>[O-])cc1<mask_1:6> | 3 | 35 | 6 | =O) | 6 | C[C@H](Oc1ccccc1F)C(=O)Nc1ccc([N+](=O)[O][O-])cc1 | C[C@H](Oc1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 | =O)[O] |
<|startoftext|><L><mask_1:6>H](Oc1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1<mask_1:6> | 4 | 0 | 6 | C[C@ | 6 | CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 | C[C@H](Oc1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 | CC[C@@ |
<|startoftext|><L>C[C@H](Oc1ccc<mask_1:5>(=O)Nc1ccc([N+](=O)[O-])cc1<mask_1:5> | 6 | 13 | 5 | cc1F)C | 5 | C[C@H](Oc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 | C[C@H](Oc1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 | cc1)C |
<|startoftext|><L>C[C@H](Oc1ccccc1F)C(=O)Nc1ccc([N+](=<mask_1:3>)cc1<mask_1:3> | 6 | 36 | 3 | O)[O-] | 3 | C[C@H](Oc1ccccc1F)C(=O)Nc1ccc([N+](=O)O)cc1 | C[C@H](Oc1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 | O)O |
<|startoftext|><L>C[C@H](Oc1ccccc1F)C(=O<mask_1:4>1ccc([N+](=O)[O-])cc1<mask_1:4> | 3 | 22 | 4 | )Nc | 4 | C[C@H](Oc1ccccc1F)C(=O)NCc1ccc([N+](=O)[O-])cc1 | C[C@H](Oc1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 | )NCc |
<|startoftext|><L>CC(C)c1ccc(OCc2nnc(SC<mask_1:5>)Nc3ccccn3)n2C)cc1<mask_1:5> | 4 | 21 | 5 | C(=O | 5 | CC(C)c1ccc(OCc2nnc(SCCC(=O)Nc3ccccn3)n2C)cc1 | CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccccn3)n2C)cc1 | CC(=O |
<|startoftext|><L>C<mask_1:5>)c1ccc(OCc2nnc(SCC(=O)Nc3ccccn3)n2C)cc1<mask_1:5> | 3 | 1 | 5 | C(C | 5 | COC(=O)c1ccc(OCc2nnc(SCC(=O)Nc3ccccn3)n2C)cc1 | CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccccn3)n2C)cc1 | OC(=O |
<|startoftext|><L>CC(C)c1ccc(<mask_1:5>nnc(SCC(=O)Nc3ccccn3)n2C)cc1<mask_1:5> | 4 | 11 | 5 | OCc2 | 5 | CC(C)c1ccc(CSCc2nnc(SCC(=O)Nc3ccccn3)n2C)cc1 | CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccccn3)n2C)cc1 | CSCc2 |
<|startoftext|><L>CC<mask_1:3>cc(OCc2nnc(SCC(=O)Nc3ccccn3)n2C)cc1<mask_1:3> | 6 | 2 | 3 | (C)c1c | 3 | CCc1ccc(OCc2nnc(SCC(=O)Nc3ccccn3)n2C)cc1 | CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccccn3)n2C)cc1 | c1c |
<|startoftext|><L>CC(C)c1ccc(OCc2nnc<mask_1:3>SCC(=O)Nc3ccccn3)n2C)cc1<mask_1:3> | 1 | 18 | 3 | ( | 3 | CC(C)c1ccc(OCc2nnc(SCSCC(=O)Nc3ccccn3)n2C)cc1 | CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccccn3)n2C)cc1 | (SC |
<|startoftext|><L>CC(C)c1ccc<mask_1:5>Cc2nnc(SCC(=O)Nc3ccccn3)n2C)cc1<mask_1:5> | 2 | 10 | 5 | (O | 5 | CC(C)c1ccc(OCCOCc2nnc(SCC(=O)Nc3ccccn3)n2C)cc1 | CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccccn3)n2C)cc1 | (OCCO |
<|startoftext|><L>CC(C)c1ccc(OCc2nnc<mask_1:3>=O)Nc3ccccn3)n2C)cc1<mask_1:3> | 5 | 18 | 3 | (SCC( | 3 | CC(C)c1ccc(OCc2nnc(C(=O)Nc3ccccn3)n2C)cc1 | CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccccn3)n2C)cc1 | (C( |
<|startoftext|><L>CC(C)c1ccc(OCc2nnc(S<mask_1:6>=O)Nc3ccccn3)n2C)cc1<mask_1:6> | 3 | 20 | 6 | CC( | 6 | CC(C)c1ccc(OCc2nnc(SCCCCC(=O)Nc3ccccn3)n2C)cc1 | CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccccn3)n2C)cc1 | CCCCC( |
<|startoftext|><L>CC(C)c1ccc(O<mask_1:4>2nnc(SCC(=O)Nc3ccccn3)n2C)cc1<mask_1:4> | 2 | 12 | 4 | Cc | 4 | CC(C)c1ccc(OCCSc2nnc(SCC(=O)Nc3ccccn3)n2C)cc1 | CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccccn3)n2C)cc1 | CCSc |
<|startoftext|><L>CC(C)c1ccc(OCc2nnc(SCC(=O)N<mask_1:2>cn3)n2C)cc1<mask_1:2> | 5 | 27 | 2 | c3ccc | 2 | CC(C)c1ccc(OCc2nnc(SCC(=O)NC3cn3)n2C)cc1 | CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccccn3)n2C)cc1 | C3 |
<|startoftext|><L>C<mask_1:2>Oc1cc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)cc(OC)c1OC<mask_1:2> | 0 | 1 | 2 | 2 | CCCOc1cc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)cc(OC)c1OC | COc1cc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)cc(OC)c1OC | CC |
|
<|startoftext|><L>COc1cc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)cc(OC)<mask_1:4>OC<mask_1:4> | 2 | 45 | 4 | c1 | 4 | COc1cc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)cc(OC)c1OCOC | COc1cc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)cc(OC)c1OC | c1OC |
<|startoftext|><L>COc1cc(CN2CCN(<mask_1:5>cccc3)[C@H](CCO)C2)cc(OC)c1OC<mask_1:5> | 6 | 14 | 5 | CCCc3c | 5 | COc1cc(CN2CCN(CCc3ccccc3)[C@H](CCO)C2)cc(OC)c1OC | COc1cc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)cc(OC)c1OC | CCc3c |
<|startoftext|><L>COc1cc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)cc(O<mask_1:4>C)c1OC<mask_1:4> | 0 | 43 | 4 | 4 | COc1cc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)cc(OC(C)C)c1OC | COc1cc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)cc(OC)c1OC | C(C) |
|
<|startoftext|><L>COc1cc(CN2CCN(CCCc3<mask_1:1>ccc3)[C@H](CCO)C2)cc(OC)c1OC<mask_1:1> | 2 | 19 | 1 | cc | 1 | COc1cc(CN2CCN(CCCc3sccc3)[C@H](CCO)C2)cc(OC)c1OC | COc1cc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)cc(OC)c1OC | s |
<|startoftext|><L>COc1cc(CN2<mask_1:3>CCCc3ccccc3)[C@H](CCO)C2)cc(OC)c1OC<mask_1:3> | 4 | 10 | 3 | CCN( | 3 | COc1cc(CN2CN(CCCc3ccccc3)[C@H](CCO)C2)cc(OC)c1OC | COc1cc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)cc(OC)c1OC | CN( |
<|startoftext|><L>COc1cc(CN2CCN(CC<mask_1:5>cc3)[C@H](CCO)C2)cc(OC)c1OC<mask_1:5> | 6 | 16 | 5 | Cc3ccc | 5 | COc1cc(CN2CCN(CCc3ccccc3)[C@H](CCO)C2)cc(OC)c1OC | COc1cc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)cc(OC)c1OC | c3ccc |
<|startoftext|><L>COc1cc(CN2CCN(CCCc3ccccc3)[C@H](CCO<mask_1:1>2)cc(OC)c1OC<mask_1:1> | 2 | 35 | 1 | )C | 1 | COc1cc(CN2CCN(CCCc3ccccc3)[C@H](CCO)2)cc(OC)c1OC | COc1cc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)cc(OC)c1OC | ) |
<|startoftext|><L>COc1cc(CN2CCN<mask_1:5>(CCCc3ccccc3)[C@H](CCO)C2)cc(OC)c1OC<mask_1:5> | 0 | 13 | 5 | 5 | COc1cc(CN2CCN[C@H](CCCc3ccccc3)[C@H](CCO)C2)cc(OC)c1OC | COc1cc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)cc(OC)c1OC | [C@H] |
|
<|startoftext|><L>COc1cc(CN2CC<mask_1:4>N(CCCc3ccccc3)[C@H](CCO)C2)cc(OC)c1OC<mask_1:4> | 0 | 12 | 4 | 4 | COc1cc(CN2CC(=O)N(CCCc3ccccc3)[C@H](CCO)C2)cc(OC)c1OC | COc1cc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)cc(OC)c1OC | (=O) |
|
<|startoftext|><L>O=C([C@@H]1COc2ccccc2O1)N(Cc1nc2ccccc<mask_1:7>]1)C[C@H]1CCCO1<mask_1:7> | 9 | 37 | 7 | 2c(=O)[nH | 9 | O=C([C@@H]1COc2ccccc2O1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 | O=C([C@@H]1COc2ccccc2O1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 | 2c(=O)[nH |
<|startoftext|><L>O=C([C@@H]1COc2ccccc2O1)N(Cc1nc2<mask_1:5>c(=O)[nH]1)C[C@H]1CCCO1<mask_1:5> | 6 | 32 | 5 | ccccc2 | 5 | O=C([C@@H]1COc2ccccc2O1)N(Cc1nc2ccsc2c(=O)[nH]1)C[C@H]1CCCO1 | O=C([C@@H]1COc2ccccc2O1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 | ccsc2 |
<|startoftext|><L>O=C([C@@H]1C<mask_1:3>Oc2ccccc2O1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1<mask_1:3> | 0 | 12 | 3 | 3 | O=C([C@@H]1CCCCOc2ccccc2O1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 | O=C([C@@H]1COc2ccccc2O1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 | CCC |
|
<|startoftext|><L>O=C([C@@H]1COc2<mask_1:9>)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1<mask_1:9> | 8 | 15 | 9 | ccccc2O1 | 8 | O=C([C@@H]1COc2ccccc2O1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 | O=C([C@@H]1COc2ccccc2O1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 | ccccc2O1 |
<|startoftext|><L>O=C([C@@H]1COc2ccccc2O1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CC<mask_1:3>1<mask_1:3> | 2 | 58 | 3 | CO | 3 | O=C([C@@H]1COc2ccccc2O1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCCO1 | O=C([C@@H]1COc2ccccc2O1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 | CCO |
<|startoftext|><L>O=C([C@@H]1COc2ccccc2O1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@<mask_1:9>CO1<mask_1:9> | 5 | 53 | 9 | H]1CC | 9 | O=C([C@@H]1COc2ccccc2O1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCC=CCO1 | O=C([C@@H]1COc2ccccc2O1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 | @H]1CCC=C |
<|startoftext|><L>O=C(<mask_1:7>[C@@H]1COc2ccccc2O1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1<mask_1:7> | 0 | 4 | 7 | 7 | O=C(CNC(=O)[C@@H]1COc2ccccc2O1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 | O=C([C@@H]1COc2ccccc2O1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 | CNC(=O) |
|
<|startoftext|><L>O=C([C@<mask_1:6>]1COc2ccccc2O1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1<mask_1:6> | 2 | 7 | 6 | @H | 6 | O=C([C@H][C@H]1COc2ccccc2O1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 | O=C([C@@H]1COc2ccccc2O1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 | H][C@H |
<|startoftext|><L>O=C(<mask_1:7>c2ccccc2O1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1<mask_1:7> | 9 | 4 | 7 | [C@@H]1CO | 7 | O=C([C@H]1Cc2ccccc2O1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 | O=C([C@@H]1COc2ccccc2O1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 | [C@H]1C |
<|startoftext|><L>O=C([C@@H]1COc2ccccc2O1)N(Cc1nc2cccc<mask_1:4>H]1)C[C@H]1CCCO1<mask_1:4> | 9 | 36 | 4 | c2c(=O)[n | 4 | O=C([C@@H]1COc2ccccc2O1)N(Cc1nc2ccccc2[nH]1)C[C@H]1CCCO1 | O=C([C@@H]1COc2ccccc2O1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 | c2[n |
<|startoftext|><L>CC(=O)c1cccc(OCc2cccc(C<mask_1:3>(=O)Oc3ccccc3)c2)c1<mask_1:3> | 0 | 23 | 3 | 3 | CC(=O)c1cccc(OCc2cccc(COCC(=O)Oc3ccccc3)c2)c1 | CC(=O)c1cccc(OCc2cccc(C(=O)Oc3ccccc3)c2)c1 | OCC |
|
<|startoftext|><L>CC(=O)c1cccc(OCc2cccc(C(=O)Oc3cccc<mask_1:5>)c2)c1<mask_1:5> | 2 | 34 | 5 | c3 | 5 | CC(=O)c1cccc(OCc2cccc(C(=O)Oc3cccc(C)c3)c2)c1 | CC(=O)c1cccc(OCc2cccc(C(=O)Oc3ccccc3)c2)c1 | (C)c3 |
<|startoftext|><L><mask_1:5>CC(=O)c1cccc(OCc2cccc(C(=O)Oc3ccccc3)c2)c1<mask_1:5> | 0 | 0 | 5 | 5 | CC(C)CC(=O)c1cccc(OCc2cccc(C(=O)Oc3ccccc3)c2)c1 | CC(=O)c1cccc(OCc2cccc(C(=O)Oc3ccccc3)c2)c1 | CC(C) |
|
<|startoftext|><L>CC(=O)c1cccc(OCc2cccc(C(=O<mask_1:5>Oc3ccccc3)c2)c1<mask_1:5> | 1 | 26 | 5 | ) | 5 | CC(=O)c1cccc(OCc2cccc(C(=O)NCCCOc3ccccc3)c2)c1 | CC(=O)c1cccc(OCc2cccc(C(=O)Oc3ccccc3)c2)c1 | )NCCC |
<|startoftext|><L>CC(=O)c1cc<mask_1:4>c(OCc2cccc(C(=O)Oc3ccccc3)c2)c1<mask_1:4> | 1 | 10 | 4 | c | 4 | CC(=O)c1ccc(C)c(OCc2cccc(C(=O)Oc3ccccc3)c2)c1 | CC(=O)c1cccc(OCc2cccc(C(=O)Oc3ccccc3)c2)c1 | c(C) |
<|startoftext|><L>CC(=O)c1cc<mask_1:2>c2cccc(C(=O)Oc3ccccc3)c2)c1<mask_1:2> | 5 | 10 | 2 | cc(OC | 2 | CC(=O)c1cc(-c2cccc(C(=O)Oc3ccccc3)c2)c1 | CC(=O)c1cccc(OCc2cccc(C(=O)Oc3ccccc3)c2)c1 | (- |
<|startoftext|><L>CC(=O)c1cccc(OCc2cccc(C(=O)Oc3<mask_1:3>c3)c2)c1<mask_1:3> | 4 | 30 | 3 | cccc | 3 | CC(=O)c1cccc(OCc2cccc(C(=O)Oc3ccoc3)c2)c1 | CC(=O)c1cccc(OCc2cccc(C(=O)Oc3ccccc3)c2)c1 | cco |
<|startoftext|><L>CC(=O)c1cccc(<mask_1:1>c2cccc(C(=O)Oc3ccccc3)c2)c1<mask_1:1> | 2 | 13 | 1 | OC | 1 | CC(=O)c1cccc(-c2cccc(C(=O)Oc3ccccc3)c2)c1 | CC(=O)c1cccc(OCc2cccc(C(=O)Oc3ccccc3)c2)c1 | - |
<|startoftext|><L>CC<mask_1:3>1cccc(OCc2cccc(C(=O)Oc3ccccc3)c2)c1<mask_1:3> | 5 | 2 | 3 | (=O)c | 3 | CCCOc1cccc(OCc2cccc(C(=O)Oc3ccccc3)c2)c1 | CC(=O)c1cccc(OCc2cccc(C(=O)Oc3ccccc3)c2)c1 | COc |
<|startoftext|><L>CC(=<mask_1:4>1cccc(OCc2cccc(C(=O)Oc3ccccc3)c2)c1<mask_1:4> | 3 | 4 | 4 | O)c | 4 | CC(=O)Nc1cccc(OCc2cccc(C(=O)Oc3ccccc3)c2)c1 | CC(=O)c1cccc(OCc2cccc(C(=O)Oc3ccccc3)c2)c1 | O)Nc |
<|startoftext|><L>COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)N[C@@H](C<mask_1:8>ccccc2)cc1<mask_1:8> | 3 | 42 | 8 | )c2 | 8 | COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)N[C@@H](C)C(=O)c2ccccc2)cc1 | COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1 | )C(=O)c2 |
<|startoftext|><L>COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)N<mask_1:3>](C)c2ccccc2)cc1<mask_1:3> | 5 | 34 | 3 | [C@@H | 3 | COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)N[C@](C)c2ccccc2)cc1 | COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1 | [C@ |
<|startoftext|><L>COC(=O)c1ccc<mask_1:5>(=O)CCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1<mask_1:5> | 3 | 12 | 5 | (NC | 5 | COC(=O)c1ccc(CCNC(=O)CCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1 | COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1 | (CCNC |
<|startoftext|><L>COC(=<mask_1:6>1ccc(NC(=O)CCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1<mask_1:6> | 3 | 5 | 6 | O)c | 6 | COC(=O)CCCc1ccc(NC(=O)CCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1 | COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1 | O)CCCc |
<|startoftext|><L>COC(=O)c1ccc(NC(=O)CCC(=<mask_1:4>(=O)N[C@@H](C)c2ccccc2)cc1<mask_1:4> | 5 | 24 | 4 | O)OCC | 4 | COC(=O)c1ccc(NC(=O)CCC(=O)CC(=O)N[C@@H](C)c2ccccc2)cc1 | COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1 | O)CC |
<|startoftext|><L>COC(=O)c1ccc(NC(=O)C<mask_1:1>O)OCC(=O)N[C@@H](C)c2ccccc2)cc1<mask_1:1> | 4 | 20 | 1 | CC(= | 1 | COC(=O)c1ccc(NC(=O)C(O)OCC(=O)N[C@@H](C)c2ccccc2)cc1 | COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1 | ( |
<|startoftext|><L>COC(=O<mask_1:6>cc(NC(=O)CCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1<mask_1:6> | 4 | 6 | 6 | )c1c | 6 | COC(=O)COc1ccc(NC(=O)CCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1 | COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1 | )COc1c |
<|startoftext|><L>COC(=O)c1ccc(NC<mask_1:2>=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1<mask_1:2> | 8 | 15 | 2 | (=O)CCC( | 2 | COC(=O)c1ccc(NCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1 | COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1 | C( |
<|startoftext|><L>COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)N[C@@H](C)c2ccccc2<mask_1:1>1<mask_1:1> | 3 | 51 | 1 | )cc | 1 | COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)1 | COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1 | ) |
<|startoftext|><L>COC(<mask_1:7>c1ccc(NC(=O)CCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1<mask_1:7> | 3 | 4 | 7 | =O) | 7 | COC(=O)/C=Cc1ccc(NC(=O)CCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1 | COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1 | =O)/C=C |
<|startoftext|><L>Cc1c<mask_1:5>N2C[C@@H]3COCC[C@]3(CO)C2)nc2cc(F)ccc12<mask_1:5> | 2 | 4 | 5 | c( | 5 | Cc1cc(OCCN2C[C@@H]3COCC[C@]3(CO)C2)nc2cc(F)ccc12 | Cc1cc(N2C[C@@H]3COCC[C@]3(CO)C2)nc2cc(F)ccc12 | c(OCC |
<|startoftext|><L>Cc1cc(N2C[C@@H]3COCC[C@]3(CO)C2<mask_1:3>(F)ccc12<mask_1:3> | 6 | 31 | 3 | )nc2cc | 3 | Cc1cc(N2C[C@@H]3COCC[C@]3(CO)C2)c2(F)ccc12 | Cc1cc(N2C[C@@H]3COCC[C@]3(CO)C2)nc2cc(F)ccc12 | )c2 |
<|startoftext|><L>Cc1cc(<mask_1:2>[C@@H]3COCC[C@]3(CO)C2)nc2cc(F)ccc12<mask_1:2> | 3 | 6 | 2 | N2C | 2 | Cc1cc(N2[C@@H]3COCC[C@]3(CO)C2)nc2cc(F)ccc12 | Cc1cc(N2C[C@@H]3COCC[C@]3(CO)C2)nc2cc(F)ccc12 | N2 |
<|startoftext|><L>Cc1cc(N2C<mask_1:2>C@@H]3COCC[C@]3(CO)C2)nc2cc(F)ccc12<mask_1:2> | 1 | 9 | 2 | [ | 2 | Cc1cc(N2CC[C@@H]3COCC[C@]3(CO)C2)nc2cc(F)ccc12 | Cc1cc(N2C[C@@H]3COCC[C@]3(CO)C2)nc2cc(F)ccc12 | C[ |
<|startoftext|><L>Cc1cc(N2C[C@@H]3COC<mask_1:3>(CO)C2)nc2cc(F)ccc12<mask_1:3> | 6 | 19 | 3 | C[C@]3 | 3 | Cc1cc(N2C[C@@H]3COCN3C(CO)C2)nc2cc(F)ccc12 | Cc1cc(N2C[C@@H]3COCC[C@]3(CO)C2)nc2cc(F)ccc12 | N3C |
<|startoftext|><L>Cc1cc(N2C[C@@H]3CO<mask_1:5>3(CO)C2)nc2cc(F)ccc12<mask_1:5> | 6 | 18 | 5 | CC[C@] | 5 | Cc1cc(N2C[C@@H]3COC[C@]3(CO)C2)nc2cc(F)ccc12 | Cc1cc(N2C[C@@H]3COCC[C@]3(CO)C2)nc2cc(F)ccc12 | C[C@] |
<|startoftext|><L>Cc1cc(N2C<mask_1:2>C@@H]3COCC[C@]3(CO)C2)nc2cc(F)ccc12<mask_1:2> | 1 | 9 | 2 | [ | 2 | Cc1cc(N2CC[C@@H]3COCC[C@]3(CO)C2)nc2cc(F)ccc12 | Cc1cc(N2C[C@@H]3COCC[C@]3(CO)C2)nc2cc(F)ccc12 | C[ |
<|startoftext|><L>Cc<mask_1:6>N2C[C@@H]3COCC[C@]3(CO)C2)nc2cc(F)ccc12<mask_1:6> | 4 | 2 | 6 | 1cc( | 6 | Cc1cc(CCN2C[C@@H]3COCC[C@]3(CO)C2)nc2cc(F)ccc12 | Cc1cc(N2C[C@@H]3COCC[C@]3(CO)C2)nc2cc(F)ccc12 | 1cc(CC |
<|startoftext|><L>Cc1cc(N2C[C@@H]3COCC[C@]3(CO)C2)nc2<mask_1:3>cc12<mask_1:3> | 6 | 35 | 3 | cc(F)c | 3 | Cc1cc(N2C[C@@H]3COCC[C@]3(CO)C2)nc2ccccc12 | Cc1cc(N2C[C@@H]3COCC[C@]3(CO)C2)nc2cc(F)ccc12 | ccc |
<|startoftext|><L>Cc1cc(N2C[C<mask_1:2>OCC[C@]3(CO)C2)nc2cc(F)ccc12<mask_1:2> | 6 | 11 | 2 | @@H]3C | 2 | Cc1cc(N2C[C]3OCC[C@]3(CO)C2)nc2cc(F)ccc12 | Cc1cc(N2C[C@@H]3COCC[C@]3(CO)C2)nc2cc(F)ccc12 | ]3 |
<|startoftext|><L>C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCCCC<mask_1:7>c1Cl)c1nc2ccccc2c(=O)[nH]1<mask_1:7> | 4 | 34 | 7 | 2)cc | 7 | C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCCCC2)c(F)cc1Cl)c1nc2ccccc2c(=O)[nH]1 | C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1nc2ccccc2c(=O)[nH]1 | 2)c(F)c |
<|startoftext|><L>C[C@H](OC(=O)c1c<mask_1:9>)(=O)N2CCCCC2)ccc1Cl)c1nc2ccccc2c(=O)[nH]1<mask_1:9> | 6 | 16 | 9 | c(S(=O | 9 | C[C@H](OC(=O)c1cc(CCNS(=O)(=O)N2CCCCC2)ccc1Cl)c1nc2ccccc2c(=O)[nH]1 | C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1nc2ccccc2c(=O)[nH]1 | c(CCNS(=O |
<|startoftext|><L>C[C@H](OC(=O)c1cc(S(=O)(=O)N2<mask_1:9>cc1Cl)c1nc2ccccc2c(=O)[nH]1<mask_1:9> | 8 | 29 | 9 | CCCCC2)c | 8 | C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1nc2ccccc2c(=O)[nH]1 | C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1nc2ccccc2c(=O)[nH]1 | CCOCC2)c |
<|startoftext|><L>C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)<mask_1:7>c1nc2ccccc2c(=O)[nH]1<mask_1:7> | 0 | 43 | 7 | 7 | C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(=O)NCc1nc2ccccc2c(=O)[nH]1 | C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1nc2ccccc2c(=O)[nH]1 | C(=O)NC |
|
<|startoftext|><L>C[C@H](OC(=O)c1cc(S(=O)(=O)N2CC<mask_1:5>C2)ccc1Cl)c1nc2ccccc2c(=O)[nH]1<mask_1:5> | 2 | 31 | 5 | CC | 5 | C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCC(O)CC2)ccc1Cl)c1nc2ccccc2c(=O)[nH]1 | C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1nc2ccccc2c(=O)[nH]1 | C(O)C |
<|startoftext|><L>C[<mask_1:7>C@H](OC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1nc2ccccc2c(=O)[nH]1<mask_1:7> | 0 | 2 | 7 | 8 | C[C@H](C)[C@H](OC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1nc2ccccc2c(=O)[nH]1 | C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1nc2ccccc2c(=O)[nH]1 | C@H](C)[ |
|
<|startoftext|><L>C[C@H](OC(=O)c1cc(S(=O)(=<mask_1:5>CCCCC2)ccc1Cl)c1nc2ccccc2c(=O)[nH]1<mask_1:5> | 4 | 25 | 5 | O)N2 | 5 | C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)c1nc2ccccc2c(=O)[nH]1 | C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1nc2ccccc2c(=O)[nH]1 | O)N2C |
<|startoftext|><L>C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc<mask_1:9>nc2ccccc2c(=O)[nH]1<mask_1:9> | 6 | 39 | 9 | 1Cl)c1 | 9 | C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C)c1nc2ccccc2c(=O)[nH]1 | C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1nc2ccccc2c(=O)[nH]1 | 1N(C)C)c1 |
<|startoftext|><L>C[C@H](OC(=O)c1cc(S(=O)<mask_1:9>N2CCCCC2)ccc1Cl)c1nc2ccccc2c(=O)[nH]1<mask_1:9> | 4 | 23 | 9 | (=O) | 9 | C[C@H](OC(=O)c1cc(S(=O)(=O)N(C)CN2CCCCC2)ccc1Cl)c1nc2ccccc2c(=O)[nH]1 | C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1nc2ccccc2c(=O)[nH]1 | (=O)N(C)C |
<|startoftext|><L>C[C@H](OC(=O)c1cc(S(=O)(=O)<mask_1:5>CCCCC2)ccc1Cl)c1nc2ccccc2c(=O)[nH]1<mask_1:5> | 2 | 27 | 5 | N2 | 5 | C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCCCCCCC2)ccc1Cl)c1nc2ccccc2c(=O)[nH]1 | C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1nc2ccccc2c(=O)[nH]1 | N2CCC |
<|startoftext|><L>CC[C@H](C)NC(=O)c1cccc(NC<mask_1:6>)CCC(=O)OC)c1<mask_1:6> | 3 | 25 | 6 | (=O | 6 | CC[C@H](C)NC(=O)c1cccc(NCCNC(=O)CCC(=O)OC)c1 | CC[C@H](C)NC(=O)c1cccc(NC(=O)CCC(=O)OC)c1 | CNC(=O |
<|startoftext|><L>CC[C@H](C)NC(=O)c1cccc<mask_1:6>O)CCC(=O)OC)c1<mask_1:6> | 5 | 22 | 6 | (NC(= | 6 | CC[C@H](C)NC(=O)c1cccc(CNC(=O)CCC(=O)OC)c1 | CC[C@H](C)NC(=O)c1cccc(NC(=O)CCC(=O)OC)c1 | (CNC(= |
<|startoftext|><L>CC[C@H](C)<mask_1:5>=O)c1cccc(NC(=O)CCC(=O)OC)c1<mask_1:5> | 3 | 10 | 5 | NC( | 5 | CC[C@H](C)CCNC(=O)c1cccc(NC(=O)CCC(=O)OC)c1 | CC[C@H](C)NC(=O)c1cccc(NC(=O)CCC(=O)OC)c1 | CCNC( |
<|startoftext|><L>CC<mask_1:6>](C)NC(=O)c1cccc(NC(=O)CCC(=O)OC)c1<mask_1:6> | 4 | 2 | 6 | [C@H | 6 | CCOC[C@H](C)NC(=O)c1cccc(NC(=O)CCC(=O)OC)c1 | CC[C@H](C)NC(=O)c1cccc(NC(=O)CCC(=O)OC)c1 | OC[C@H |
<|startoftext|><L>CC[C@H](<mask_1:1>=O)c1cccc(NC(=O)CCC(=O)OC)c1<mask_1:1> | 5 | 8 | 1 | C)NC( | 1 | CC[C@H](C=O)c1cccc(NC(=O)CCC(=O)OC)c1 | CC[C@H](C)NC(=O)c1cccc(NC(=O)CCC(=O)OC)c1 | C |
<|startoftext|><L>CC[C@<mask_1:5>C(=O)c1cccc(NC(=O)CCC(=O)OC)c1<mask_1:5> | 6 | 5 | 5 | H](C)N | 5 | CC[C@H](C)C(=O)c1cccc(NC(=O)CCC(=O)OC)c1 | CC[C@H](C)NC(=O)c1cccc(NC(=O)CCC(=O)OC)c1 | H](C) |
<|startoftext|><L>CC[C@H](C)NC(=O)c1cccc(N<mask_1:2>O)CCC(=O)OC)c1<mask_1:2> | 3 | 24 | 2 | C(= | 2 | CC[C@H](C)NC(=O)c1cccc(N(CO)CCC(=O)OC)c1 | CC[C@H](C)NC(=O)c1cccc(NC(=O)CCC(=O)OC)c1 | (C |
<|startoftext|><L>CC[C@H](C)NC(=O)c1cccc(NC<mask_1:4>C(=O)OC)c1<mask_1:4> | 6 | 25 | 4 | (=O)CC | 4 | CC[C@H](C)NC(=O)c1cccc(NC(=O)C(=O)OC)c1 | CC[C@H](C)NC(=O)c1cccc(NC(=O)CCC(=O)OC)c1 | (=O) |
<|startoftext|><L>CC[C@H](C)NC(=O)c1cccc(NC(=O<mask_1:3>CCC(=O)OC)c1<mask_1:3> | 1 | 28 | 3 | ) | 3 | CC[C@H](C)NC(=O)c1cccc(NC(=O)NCCCC(=O)OC)c1 | CC[C@H](C)NC(=O)c1cccc(NC(=O)CCC(=O)OC)c1 | )NC |
<|startoftext|><L>CC[C@H](C)NC(=O)c1cccc(NC(=O)CCC(=O)OC<mask_1:4>c1<mask_1:4> | 1 | 38 | 4 | ) | 4 | CC[C@H](C)NC(=O)c1cccc(NC(=O)CCC(=O)OCCOC)c1 | CC[C@H](C)NC(=O)c1cccc(NC(=O)CCC(=O)OC)c1 | COC) |