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stringlengths 49
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| first_mask_count
int64 0
16
| first_start_index
int64 0
216
| first_mask_gen_count
int64 1
16
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stringlengths 0
16
| first_mask_gen_count_real
int64 0
18
| generated_smiles
stringlengths 12
233
| original_smiles
stringlengths 12
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| generated_tokens
stringlengths 0
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<|startoftext|><L>COc1ccc(CCNC(=O)CSc2nncn2-c2ccc<mask_1:4>c2)cc1OC<mask_1:4> | 1 | 31 | 4 | c | 4 | COc1ccc(CCNC(=O)CSc2nncn2-c2cccc(C)c2)cc1OC | COc1ccc(CCNC(=O)CSc2nncn2-c2ccccc2)cc1OC | c(C) |
<|startoftext|><L>COc1ccc(CCN<mask_1:5>)CSc2nncn2-c2ccccc2)cc1OC<mask_1:5> | 4 | 11 | 5 | C(=O | 5 | COc1ccc(CCNNC(=O)CSc2nncn2-c2ccccc2)cc1OC | COc1ccc(CCNC(=O)CSc2nncn2-c2ccccc2)cc1OC | NC(=O |
<|startoftext|><L>COc1ccc(CCNC(<mask_1:6>=O)CSc2nncn2-c2ccccc2)cc1OC<mask_1:6> | 0 | 13 | 6 | 6 | COc1ccc(CCNC(=O)NC(=O)CSc2nncn2-c2ccccc2)cc1OC | COc1ccc(CCNC(=O)CSc2nncn2-c2ccccc2)cc1OC | =O)NC( |
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<|startoftext|><L>COc1ccc(CCNC(=O<mask_1:3>CSc2nncn2-c2ccccc2)cc1OC<mask_1:3> | 1 | 15 | 3 | ) | 3 | COc1ccc(CCNC(=O)NCCSc2nncn2-c2ccccc2)cc1OC | COc1ccc(CCNC(=O)CSc2nncn2-c2ccccc2)cc1OC | )NC |
<|startoftext|><L>COc1ccc(CCNC(=O)CSc2nncn2-c2ccccc<mask_1:6>)cc1OC<mask_1:6> | 1 | 33 | 6 | 2 | 6 | COc1ccc(CCNC(=O)CSc2nncn2-c2ccccc2C(C)C)cc1OC | COc1ccc(CCNC(=O)CSc2nncn2-c2ccccc2)cc1OC | 2C(C)C |
<|startoftext|><L>COc1ccc(CCNC(=O<mask_1:2>2nncn2-c2ccccc2)cc1OC<mask_1:2> | 4 | 15 | 2 | )CSc | 2 | COc1ccc(CCNC(=O)c2nncn2-c2ccccc2)cc1OC | COc1ccc(CCNC(=O)CSc2nncn2-c2ccccc2)cc1OC | )c |
<|startoftext|><L>COc1ccc(C<mask_1:1>=O)CSc2nncn2-c2ccccc2)cc1OC<mask_1:1> | 4 | 9 | 1 | CNC( | 1 | COc1ccc(C(=O)CSc2nncn2-c2ccccc2)cc1OC | COc1ccc(CCNC(=O)CSc2nncn2-c2ccccc2)cc1OC | ( |
<|startoftext|><L>COc1c<mask_1:5>C(=O)CSc2nncn2-c2ccccc2)cc1OC<mask_1:5> | 6 | 5 | 5 | cc(CCN | 5 | COc1ccc(CNC(=O)CSc2nncn2-c2ccccc2)cc1OC | COc1ccc(CCNC(=O)CSc2nncn2-c2ccccc2)cc1OC | cc(CN |
<|startoftext|><L>COc1ccc(CCNC(=<mask_1:3>c2nncn2-c2ccccc2)cc1OC<mask_1:3> | 4 | 14 | 3 | O)CS | 3 | COc1ccc(CCNC(=O)Cc2nncn2-c2ccccc2)cc1OC | COc1ccc(CCNC(=O)CSc2nncn2-c2ccccc2)cc1OC | O)C |
<|startoftext|><L>COc1ccc(<mask_1:3>NC(=O)CSc2nncn2-c2ccccc2)cc1OC<mask_1:3> | 2 | 8 | 3 | CC | 3 | COc1ccc(CCCNC(=O)CSc2nncn2-c2ccccc2)cc1OC | COc1ccc(CCNC(=O)CSc2nncn2-c2ccccc2)cc1OC | CCC |
<|startoftext|><L>O=C(CN1CCN(CC(=O)N2<mask_1:7>@@H]2c2ccc3c(c2)OCCO3)CC1)N1CCOCC1<mask_1:7> | 5 | 19 | 7 | CCC[C | 7 | O=C(CN1CCN(CC(=O)N2CCCCC[C@@H]2c2ccc3c(c2)OCCO3)CC1)N1CCOCC1 | O=C(CN1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1)N1CCOCC1 | CCCCC[C |
<|startoftext|><L>O=C(CN1CCN(CC(=O)N<mask_1:8>@@H]2c2ccc3c(c2)OCCO3)CC1)N1CCOCC1<mask_1:8> | 6 | 18 | 8 | 2CCC[C | 8 | O=C(CN1CCN(CC(=O)N2CCCCC[C@@H]2c2ccc3c(c2)OCCO3)CC1)N1CCOCC1 | O=C(CN1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1)N1CCOCC1 | 2CCCCC[C |
<|startoftext|><L>O=C(CN1<mask_1:4>CN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1)N1CCOCC1<mask_1:4> | 1 | 7 | 4 | C | 4 | O=C(CN1CCCCCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1)N1CCOCC1 | O=C(CN1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1)N1CCOCC1 | CCCC |
<|startoftext|><L>O=C(CN1CCN(CC(=O)N2CC<mask_1:4>[C@@H]2c2ccc3c(c2)OCCO3)CC1)N1CCOCC1<mask_1:4> | 1 | 21 | 4 | C | 4 | O=C(CN1CCN(CC(=O)N2CCN(C)[C@@H]2c2ccc3c(c2)OCCO3)CC1)N1CCOCC1 | O=C(CN1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1)N1CCOCC1 | N(C) |
<|startoftext|><L>O=C(CN1CCN(CC(=O)N<mask_1:5>C[C@@H]2c2ccc3c(c2)OCCO3)CC1)N1CCOCC1<mask_1:5> | 3 | 18 | 5 | 2CC | 5 | O=C(CN1CCN(CC(=O)N2CCCCC[C@@H]2c2ccc3c(c2)OCCO3)CC1)N1CCOCC1 | O=C(CN1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1)N1CCOCC1 | 2CCCC |
<|startoftext|><L>O=C(CN1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO<mask_1:8>1CCOCC1<mask_1:8> | 7 | 44 | 8 | 3)CC1)N | 8 | O=C(CN1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1)NC1CCOCC1 | O=C(CN1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1)N1CCOCC1 | 3)CC1)NC |
<|startoftext|><L>O=C(CN1CCN(CC(=O)N2<mask_1:2>CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1)N1CCOCC1<mask_1:2> | 0 | 19 | 2 | 2 | O=C(CN1CCN(CC(=O)N2CCCCC[C@@H]2c2ccc3c(c2)OCCO3)CC1)N1CCOCC1 | O=C(CN1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1)N1CCOCC1 | CC |
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<|startoftext|><L>O=C(CN1CCN(<mask_1:7>O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1)N1CCOCC1<mask_1:7> | 4 | 11 | 7 | CC(= | 7 | O=C(CN1CCN(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1)N1CCOCC1 | O=C(CN1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1)N1CCOCC1 | S(=O)(= |
<|startoftext|><L>O=C(CN1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)<mask_1:7>CCOCC1<mask_1:7> | 6 | 46 | 7 | CC1)N1 | 7 | O=C(CN1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1)NC1CCOCC1 | O=C(CN1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1)N1CCOCC1 | CC1)NC1 |
<|startoftext|><L>O=C(CN1CCN(CC(=O)N2CCC[<mask_1:7>c2ccc3c(c2)OCCO3)CC1)N1CCOCC1<mask_1:7> | 6 | 23 | 7 | C@@H]2 | 7 | O=C(CN1CCN(CC(=O)N2CCC[C@@H]2Cc2ccc3c(c2)OCCO3)CC1)N1CCOCC1 | O=C(CN1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1)N1CCOCC1 | C@@H]2C |
<|startoftext|><L>CN(C<mask_1:2>C(=O)c1cc([N+](=O)[O-])ccc1Cl<mask_1:2> | 4 | 4 | 2 | )CCN | 2 | CN(C)CC(=O)c1cc([N+](=O)[O-])ccc1Cl | CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl | )C |
<|startoftext|><L>CN<mask_1:2>CNC(=O)c1cc([N+](=O)[O-])ccc1Cl<mask_1:2> | 4 | 2 | 2 | (C)C | 2 | CNCCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl | CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl | CC |
<|startoftext|><L>CN(C)CCNC(=O)c1cc([<mask_1:3>=O)[O-])ccc1Cl<mask_1:3> | 4 | 19 | 3 | N+]( | 4 | CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl | CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl | N+]( |
<|startoftext|><L>CN(C)CCNC(=O)c1cc([N<mask_1:1>+](=O)[O-])ccc1Cl<mask_1:1> | 0 | 20 | 1 | 1 | CN(C)CCNC(=O)c1cc([N++](=O)[O-])ccc1Cl | CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl | + |
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<|startoftext|><L>CN(C)CCNC(=O)c<mask_1:5>([N+](=O)[O-])ccc1Cl<mask_1:5> | 3 | 14 | 5 | 1cc | 5 | CN(C)CCNC(=O)c1c(F)([N+](=O)[O-])ccc1Cl | CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl | 1c(F) |
<|startoftext|><L>CN(C)CCNC(=O)c1cc([N+](=O)<mask_1:2>ccc1Cl<mask_1:2> | 5 | 26 | 2 | [O-]) | 2 | CN(C)CCNC(=O)c1cc([N+](=O)O)ccc1Cl | CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl | O) |
<|startoftext|><L>CN(C<mask_1:2>CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl<mask_1:2> | 1 | 4 | 2 | ) | 2 | CN(C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl | CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl | )C |
<|startoftext|><L>CN(C)CCNC(=O)c1cc(<mask_1:2>(=O)[O-])ccc1Cl<mask_1:2> | 4 | 18 | 2 | [N+] | 2 | CN(C)CCNC(=O)c1cc(NC(=O)[O-])ccc1Cl | CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl | NC |
<|startoftext|><L>CN(C)CCNC(=O)c1cc([N+](=O)[<mask_1:1>])ccc1Cl<mask_1:1> | 2 | 27 | 1 | O- | 1 | CN(C)CCNC(=O)c1cc([N+](=O)[O])ccc1Cl | CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl | O |
<|startoftext|><L>CN(C)CCNC<mask_1:1>c1cc([N+](=O)[O-])ccc1Cl<mask_1:1> | 4 | 9 | 1 | (=O) | 1 | CN(C)CCNCCc1cc([N+](=O)[O-])ccc1Cl | CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl | C |
<|startoftext|><L>CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](<mask_1:5>cccc(F)c4)OCC[C@@]31C2<mask_1:5> | 2 | 43 | 5 | c4 | 5 | CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CCOc4cccc(F)c4)OCC[C@@]31C2 | CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(F)c4)OCC[C@@]31C2 | CCOc4 |
<|startoftext|><L>CC(=O)N[C@<mask_1:8>C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(F)c4)OCC[C@@]31C2<mask_1:8> | 6 | 10 | 8 | @H]1C( | 8 | CC(=O)N[C@H]1[C@](C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(F)c4)OCC[C@@]31C2 | CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(F)c4)OCC[C@@]31C2 | H]1[C@]( |
<|startoftext|><L>CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc<mask_1:1>c4)OCC[C@@]31C2<mask_1:1> | 4 | 48 | 1 | c(F) | 1 | CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4)OCC[C@@]31C2 | CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(F)c4)OCC[C@@]31C2 | c |
<|startoftext|><L>CC(=O)<mask_1:7>(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(F)c4)OCC[C@@]31C2<mask_1:7> | 9 | 6 | 7 | N[C@@H]1C | 7 | CC(=O)N1[C@@](C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(F)c4)OCC[C@@]31C2 | CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(F)c4)OCC[C@@]31C2 | N1[C@@] |
<|startoftext|><L>CC<mask_1:10>=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(F)c4)OCC[C@@]31C2<mask_1:10> | 1 | 2 | 10 | ( | 10 | CCOC(=O)CCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(F)c4)OCC[C@@]31C2 | CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(F)c4)OCC[C@@]31C2 | OC(=O)CCC( |
<|startoftext|><L>CC(=<mask_1:6>[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(F)c4)OCC[C@@]31C2<mask_1:6> | 3 | 4 | 6 | O)N | 6 | CC(=O)N(C)[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(F)c4)OCC[C@@]31C2 | CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(F)c4)OCC[C@@]31C2 | O)N(C) |
<|startoftext|><L>CC(=O)N[C@@H<mask_1:6>)[C@@H]2C[C@@H]3[C@@H](c4cccc(F)c4)OCC[C@@]31C2<mask_1:6> | 8 | 12 | 6 | ]1C(C)(C | 6 | CC(=O)N[C@@H]1C(=O)[C@@H]2C[C@@H]3[C@@H](c4cccc(F)c4)OCC[C@@]31C2 | CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(F)c4)OCC[C@@]31C2 | ]1C(=O |
<|startoftext|><L>CC(=O)N[C@@H]1C(C)(C)[C@@H]<mask_1:5>]3[C@@H](c4cccc(F)c4)OCC[C@@]31C2<mask_1:5> | 7 | 27 | 5 | 2C[C@@H | 5 | CC(=O)N[C@@H]1C(C)(C)[C@@H]2[C@H]3[C@@H](c4cccc(F)c4)OCC[C@@]31C2 | CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(F)c4)OCC[C@@]31C2 | 2[C@H |
<|startoftext|><L>CC(=O)<mask_1:9>C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(F)c4)OCC[C@@]31C2<mask_1:9> | 10 | 6 | 9 | N[C@@H]1C( | 9 | CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(F)c4)OCC[C@@]31C2 | CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(F)c4)OCC[C@@]31C2 | N[C@H]1C( |
<|startoftext|><L>CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(<mask_1:5>[C@@]31C2<mask_1:5> | 8 | 50 | 5 | F)c4)OCC | 5 | CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(O)c4)[C@@]31C2 | CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(F)c4)OCC[C@@]31C2 | O)c4) |
<|startoftext|><L>C[C@H](Cc1ccccc1Cl)C(=O<mask_1:4>Nc1cccc(CN2CC[C@@H](O)C2)c1<mask_1:4> | 1 | 23 | 4 | ) | 4 | C[C@H](Cc1ccccc1Cl)C(=O)NCCNc1cccc(CN2CC[C@@H](O)C2)c1 | C[C@H](Cc1ccccc1Cl)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 | )NCC |
<|startoftext|><L>C[C@H](Cc1ccc<mask_1:7>c1Cl)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1<mask_1:7> | 1 | 13 | 7 | c | 7 | C[C@H](Cc1ccc(F)c(F)c1Cl)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 | C[C@H](Cc1ccccc1Cl)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 | (F)c(F) |
<|startoftext|><L>C[C@H](Cc1<mask_1:2>1Cl)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1<mask_1:2> | 5 | 10 | 2 | ccccc | 2 | C[C@H](Cc1nn1Cl)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 | C[C@H](Cc1ccccc1Cl)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 | nn |
<|startoftext|><L>C[C@H<mask_1:7>ccccc1Cl)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1<mask_1:7> | 5 | 5 | 7 | ](Cc1 | 7 | C[C@H](COCc1ccccc1Cl)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 | C[C@H](Cc1ccccc1Cl)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 | ](COCc1 |
<|startoftext|><L>C[C@H](Cc1ccccc1Cl<mask_1:6>=O)Nc1cccc(CN2CC[C@@H](O)C2)c1<mask_1:6> | 3 | 18 | 6 | )C( | 6 | C[C@H](Cc1ccccc1Cl)OCCC(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 | C[C@H](Cc1ccccc1Cl)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 | )OCCC( |
<|startoftext|><L>C[C@H](Cc1ccccc1Cl)C(=O)Nc1cccc(CN2C<mask_1:4>[C@@H](O)C2)c1<mask_1:4> | 1 | 36 | 4 | C | 4 | C[C@H](Cc1ccccc1Cl)C(=O)Nc1cccc(CN2C(=O)[C@@H](O)C2)c1 | C[C@H](Cc1ccccc1Cl)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 | (=O) |
<|startoftext|><L>C[C@H](Cc1ccccc1Cl)C(=O)Nc1c<mask_1:5>CC[C@@H](O)C2)c1<mask_1:5> | 7 | 28 | 5 | ccc(CN2 | 5 | C[C@H](Cc1ccccc1Cl)C(=O)Nc1cnn(C2CC[C@@H](O)C2)c1 | C[C@H](Cc1ccccc1Cl)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 | nn(C2 |
<|startoftext|><L>C[C@H](C<mask_1:7>ccccc1Cl)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1<mask_1:7> | 2 | 8 | 7 | c1 | 7 | C[C@H](C(=O)Nc1ccccc1Cl)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 | C[C@H](Cc1ccccc1Cl)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 | (=O)Nc1 |
<|startoftext|><L>C[C@H](C<mask_1:4>cccc1Cl)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1<mask_1:4> | 3 | 8 | 4 | c1c | 4 | C[C@H](COc1ccccc1Cl)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 | C[C@H](Cc1ccccc1Cl)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 | Oc1c |
<|startoftext|><L>C[C@H](Cc1ccccc1Cl)C(=O)Nc1cccc(<mask_1:4>N2CC[C@@H](O)C2)c1<mask_1:4> | 1 | 32 | 4 | C | 4 | C[C@H](Cc1ccccc1Cl)C(=O)Nc1cccc(OCCCN2CC[C@@H](O)C2)c1 | C[C@H](Cc1ccccc1Cl)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 | OCCC |
<|startoftext|><L>C=CCSc1nc(C)c2c(c1C<mask_1:3>#N)CCCC2<mask_1:3> | 0 | 19 | 3 | 3 | C=CCSc1nc(C)c2c(c1C#CC#N)CCCC2 | C=CCSc1nc(C)c2c(c1C#N)CCCC2 | #CC |
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<|startoftext|><L>C=CCSc1nc(C)c2c(c1C#N)<mask_1:3>CCCC2<mask_1:3> | 0 | 22 | 3 | 3 | C=CCSc1nc(C)c2c(c1C#N)CCCCCCC2 | C=CCSc1nc(C)c2c(c1C#N)CCCC2 | CCC |
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<|startoftext|><L>C=CCSc1nc<mask_1:2>C)c2c(c1C#N)CCCC2<mask_1:2> | 1 | 9 | 2 | ( | 2 | C=CCSc1nc(OC)c2c(c1C#N)CCCC2 | C=CCSc1nc(C)c2c(c1C#N)CCCC2 | (O |
<|startoftext|><L>C=CC<mask_1:3>c(C)c2c(c1C#N)CCCC2<mask_1:3> | 4 | 4 | 3 | Sc1n | 3 | C=CCc1nc(C)c2c(c1C#N)CCCC2 | C=CCSc1nc(C)c2c(c1C#N)CCCC2 | c1n |
<|startoftext|><L>C=CCSc1nc(C)c2c(c1C#N<mask_1:1>C2<mask_1:1> | 4 | 21 | 1 | )CCC | 1 | C=CCSc1nc(C)c2c(c1C#N)C2 | C=CCSc1nc(C)c2c(c1C#N)CCCC2 | ) |
<|startoftext|><L>C=CC<mask_1:1>Sc1nc(C)c2c(c1C#N)CCCC2<mask_1:1> | 0 | 4 | 1 | 1 | C=CCCSc1nc(C)c2c(c1C#N)CCCC2 | C=CCSc1nc(C)c2c(c1C#N)CCCC2 | C |
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<|startoftext|><L>C<mask_1:3>c1nc(C)c2c(c1C#N)CCCC2<mask_1:3> | 4 | 1 | 3 | =CCS | 3 | CCNCc1nc(C)c2c(c1C#N)CCCC2 | C=CCSc1nc(C)c2c(c1C#N)CCCC2 | CNC |
<|startoftext|><L>C=CCSc1nc(<mask_1:4>)c2c(c1C#N)CCCC2<mask_1:4> | 1 | 10 | 4 | C | 4 | C=CCSc1nc(NCCO)c2c(c1C#N)CCCC2 | C=CCSc1nc(C)c2c(c1C#N)CCCC2 | NCCO |
<|startoftext|><L>C=<mask_1:4>CSc1nc(C)c2c(c1C#N)CCCC2<mask_1:4> | 1 | 2 | 4 | C | 4 | C=C(C)CSc1nc(C)c2c(c1C#N)CCCC2 | C=CCSc1nc(C)c2c(c1C#N)CCCC2 | C(C) |
<|startoftext|><L>C=CCSc1nc(C)c<mask_1:1>(c1C#N)CCCC2<mask_1:1> | 2 | 13 | 1 | 2c | 1 | C=CCSc1nc(C)c2(c1C#N)CCCC2 | C=CCSc1nc(C)c2c(c1C#N)CCCC2 | 2 |
<|startoftext|><L>Cc1<mask_1:6>nc(Cl)c([N+](=O)[O-])c(N2CCCC[C@@H]2CO)n1<mask_1:6> | 0 | 3 | 6 | 6 | Cc1cc(Cl)nc(Cl)c([N+](=O)[O-])c(N2CCCC[C@@H]2CO)n1 | Cc1nc(Cl)c([N+](=O)[O-])c(N2CCCC[C@@H]2CO)n1 | cc(Cl) |
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<|startoftext|><L>C<mask_1:5>c(Cl)c([N+](=O)[O-])c(N2CCCC[C@@H]2CO)n1<mask_1:5> | 3 | 1 | 5 | c1n | 5 | COCc1cc(Cl)c([N+](=O)[O-])c(N2CCCC[C@@H]2CO)n1 | Cc1nc(Cl)c([N+](=O)[O-])c(N2CCCC[C@@H]2CO)n1 | OCc1c |
<|startoftext|><L>Cc1nc(Cl)c([N+](=O)[O-])c(N2CCCC[C@@H]2<mask_1:6>)n1<mask_1:6> | 2 | 39 | 6 | CO | 6 | Cc1nc(Cl)c([N+](=O)[O-])c(N2CCCC[C@@H]2C(=O)O)n1 | Cc1nc(Cl)c([N+](=O)[O-])c(N2CCCC[C@@H]2CO)n1 | C(=O)O |
<|startoftext|><L>Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC<mask_1:5>]2CO)n1<mask_1:5> | 6 | 31 | 5 | C[C@@H | 5 | Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@@H]2CO)n1 | Cc1nc(Cl)c([N+](=O)[O-])c(N2CCCC[C@@H]2CO)n1 | [C@@H |
<|startoftext|><L>Cc1n<mask_1:2>l)c([N+](=O)[O-])c(N2CCCC[C@@H]2CO)n1<mask_1:2> | 3 | 4 | 2 | c(C | 2 | Cc1n(Cl)c([N+](=O)[O-])c(N2CCCC[C@@H]2CO)n1 | Cc1nc(Cl)c([N+](=O)[O-])c(N2CCCC[C@@H]2CO)n1 | (C |
<|startoftext|><L>C<mask_1:3>1nc(Cl)c([N+](=O)[O-])c(N2CCCC[C@@H]2CO)n1<mask_1:3> | 1 | 1 | 3 | c | 3 | CCSc1nc(Cl)c([N+](=O)[O-])c(N2CCCC[C@@H]2CO)n1 | Cc1nc(Cl)c([N+](=O)[O-])c(N2CCCC[C@@H]2CO)n1 | CSc |
<|startoftext|><L>Cc1nc(Cl)c([N+]<mask_1:2>-])c(N2CCCC[C@@H]2CO)n1<mask_1:2> | 6 | 15 | 2 | (=O)[O | 2 | Cc1nc(Cl)c([N+][O-])c(N2CCCC[C@@H]2CO)n1 | Cc1nc(Cl)c([N+](=O)[O-])c(N2CCCC[C@@H]2CO)n1 | [O |
<|startoftext|><L>Cc1nc(Cl)c([N+](=O)[O-])c(N2C<mask_1:5>C@@H]2CO)n1<mask_1:5> | 4 | 29 | 5 | CCC[ | 5 | Cc1nc(Cl)c([N+](=O)[O-])c(N2CCCCC[C@@H]2CO)n1 | Cc1nc(Cl)c([N+](=O)[O-])c(N2CCCC[C@@H]2CO)n1 | CCCC[ |
<|startoftext|><L>Cc1nc(Cl)c([N+](=O)[O-])c(N2<mask_1:2>CCCC[C@@H]2CO)n1<mask_1:2> | 0 | 28 | 2 | 2 | Cc1nc(Cl)c([N+](=O)[O-])c(N2CCCCCC[C@@H]2CO)n1 | Cc1nc(Cl)c([N+](=O)[O-])c(N2CCCC[C@@H]2CO)n1 | CC |
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<|startoftext|><L>Cc1nc(<mask_1:6>c([N+](=O)[O-])c(N2CCCC[C@@H]2CO)n1<mask_1:6> | 3 | 6 | 6 | Cl) | 6 | Cc1nc(N(C)C)c([N+](=O)[O-])c(N2CCCC[C@@H]2CO)n1 | Cc1nc(Cl)c([N+](=O)[O-])c(N2CCCC[C@@H]2CO)n1 | N(C)C) |
<|startoftext|><L>Cc1c(F)cccc1NC(=O)C1CCN(C(=O)N<mask_1:4>(C)C)CC1<mask_1:4> | 0 | 30 | 4 | 4 | Cc1c(F)cccc1NC(=O)C1CCN(C(=O)NC(C)(C)C)CC1 | Cc1c(F)cccc1NC(=O)C1CCN(C(=O)N(C)C)CC1 | C(C) |
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<|startoftext|><L>Cc1c(F)cccc1NC(=O)C1CCN(C(=O)N<mask_1:4>CC1<mask_1:4> | 5 | 30 | 4 | (C)C) | 4 | Cc1c(F)cccc1NC(=O)C1CCN(C(=O)NCCO)CC1 | Cc1c(F)cccc1NC(=O)C1CCN(C(=O)N(C)C)CC1 | CCO) |
<|startoftext|><L>Cc1c(F)cccc1NC(=O)C1CCN(C(=O)N(C)C)<mask_1:4>1<mask_1:4> | 2 | 35 | 4 | CC | 4 | Cc1c(F)cccc1NC(=O)C1CCN(C(=O)N(C)C)CCCC1 | Cc1c(F)cccc1NC(=O)C1CCN(C(=O)N(C)C)CC1 | CCCC |
<|startoftext|><L>Cc1c(F)cccc1NC(=O)C1CCN(C(=O)N(C)C<mask_1:5>CC1<mask_1:5> | 1 | 34 | 5 | ) | 5 | Cc1c(F)cccc1NC(=O)C1CCN(C(=O)N(C)C2CC2)CC1 | Cc1c(F)cccc1NC(=O)C1CCN(C(=O)N(C)C)CC1 | 2CC2) |
<|startoftext|><L>Cc1c(F)cccc1N<mask_1:1>C1CCN(C(=O)N(C)C)CC1<mask_1:1> | 5 | 13 | 1 | C(=O) | 1 | Cc1c(F)cccc1NCC1CCN(C(=O)N(C)C)CC1 | Cc1c(F)cccc1NC(=O)C1CCN(C(=O)N(C)C)CC1 | C |
<|startoftext|><L>Cc1c(F)cccc1NC(=O)C1CCN(C(=O<mask_1:4>C)C)CC1<mask_1:4> | 3 | 28 | 4 | )N( | 4 | Cc1c(F)cccc1NC(=O)C1CCN(C(=O)OC(C)C)CC1 | Cc1c(F)cccc1NC(=O)C1CCN(C(=O)N(C)C)CC1 | )OC( |
<|startoftext|><L>Cc1c(F)cccc1NC(=O)C1CCN(C(=O<mask_1:4>C)C)CC1<mask_1:4> | 3 | 28 | 4 | )N( | 4 | Cc1c(F)cccc1NC(=O)C1CCN(C(=O)OC(C)C)CC1 | Cc1c(F)cccc1NC(=O)C1CCN(C(=O)N(C)C)CC1 | )OC( |
<|startoftext|><L>Cc1c(F)cccc1<mask_1:2>NC(=O)C1CCN(C(=O)N(C)C)CC1<mask_1:2> | 0 | 12 | 2 | 2 | Cc1c(F)cccc1CCNC(=O)C1CCN(C(=O)N(C)C)CC1 | Cc1c(F)cccc1NC(=O)C1CCN(C(=O)N(C)C)CC1 | CC |
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<|startoftext|><L>Cc1c(F)cccc1<mask_1:4>)C1CCN(C(=O)N(C)C)CC1<mask_1:4> | 5 | 12 | 4 | NC(=O | 4 | Cc1c(F)cccc1C(=O)C1CCN(C(=O)N(C)C)CC1 | Cc1c(F)cccc1NC(=O)C1CCN(C(=O)N(C)C)CC1 | C(=O |
<|startoftext|><L>Cc1c(F)cccc1NC(=O)C1CCN<mask_1:3>(=O)N(C)C)CC1<mask_1:3> | 2 | 23 | 3 | (C | 3 | Cc1c(F)cccc1NC(=O)C1CCN(CC(=O)N(C)C)CC1 | Cc1c(F)cccc1NC(=O)C1CCN(C(=O)N(C)C)CC1 | (CC |
<|startoftext|><L>CC[C@H](C(=O)Nc1c(C)nn(Cc2ccccc2F)c1C)c1cccc<mask_1:6>1<mask_1:6> | 1 | 44 | 6 | c | 6 | CC[C@H](C(=O)Nc1c(C)nn(Cc2ccccc2F)c1C)c1cccc(C#N)c1 | CC[C@H](C(=O)Nc1c(C)nn(Cc2ccccc2F)c1C)c1ccccc1 | (C#N)c |
<|startoftext|><L>CC[C@H](C(=O)Nc1c(C)nn(Cc2ccccc<mask_1:4>)c1ccccc1<mask_1:4> | 6 | 31 | 4 | 2F)c1C | 4 | CC[C@H](C(=O)Nc1c(C)nn(Cc2ccccc2)c1)c1ccccc1 | CC[C@H](C(=O)Nc1c(C)nn(Cc2ccccc2F)c1C)c1ccccc1 | 2)c1 |
<|startoftext|><L>CC[C@H]<mask_1:6>=O)Nc1c(C)nn(Cc2ccccc2F)c1C)c1ccccc1<mask_1:6> | 3 | 7 | 6 | (C( | 6 | CC[C@H](CCNC(=O)Nc1c(C)nn(Cc2ccccc2F)c1C)c1ccccc1 | CC[C@H](C(=O)Nc1c(C)nn(Cc2ccccc2F)c1C)c1ccccc1 | (CCNC( |
<|startoftext|><L>CC[C@H](C(=O)Nc1c(C)nn<mask_1:5>Cc2ccccc2F)c1C)c1ccccc1<mask_1:5> | 1 | 22 | 5 | ( | 5 | CC[C@H](C(=O)Nc1c(C)nn(CCCOCc2ccccc2F)c1C)c1ccccc1 | CC[C@H](C(=O)Nc1c(C)nn(Cc2ccccc2F)c1C)c1ccccc1 | (CCCO |
<|startoftext|><L>CC[C@H](C(=O)Nc1c(C)nn(C<mask_1:6>2ccccc2F)c1C)c1ccccc1<mask_1:6> | 1 | 24 | 6 | c | 6 | CC[C@H](C(=O)Nc1c(C)nn(CC(=O)c2ccccc2F)c1C)c1ccccc1 | CC[C@H](C(=O)Nc1c(C)nn(Cc2ccccc2F)c1C)c1ccccc1 | C(=O)c |
<|startoftext|><L>CC[C@H](C(=O)Nc1c(C)nn<mask_1:5>2ccccc2F)c1C)c1ccccc1<mask_1:5> | 3 | 22 | 5 | (Cc | 5 | CC[C@H](C(=O)Nc1c(C)nn(CCOc2ccccc2F)c1C)c1ccccc1 | CC[C@H](C(=O)Nc1c(C)nn(Cc2ccccc2F)c1C)c1ccccc1 | (CCOc |
<|startoftext|><L>CC[C@H](C(=O)Nc1c(C)nn<mask_1:5>2ccccc2F)c1C)c1ccccc1<mask_1:5> | 3 | 22 | 5 | (Cc | 5 | CC[C@H](C(=O)Nc1c(C)nn(CCOc2ccccc2F)c1C)c1ccccc1 | CC[C@H](C(=O)Nc1c(C)nn(Cc2ccccc2F)c1C)c1ccccc1 | (CCOc |
<|startoftext|><L>CC[C@H](C(=O)Nc1c(C)nn(<mask_1:6>2ccccc2F)c1C)c1ccccc1<mask_1:6> | 2 | 23 | 6 | Cc | 6 | CC[C@H](C(=O)Nc1c(C)nn(C(=O)c2ccccc2F)c1C)c1ccccc1 | CC[C@H](C(=O)Nc1c(C)nn(Cc2ccccc2F)c1C)c1ccccc1 | C(=O)c |
<|startoftext|><L>CC[C@H](C(=O)Nc1c(C)nn(C<mask_1:1>c2ccccc2F)c1C)c1ccccc1<mask_1:1> | 0 | 24 | 1 | 1 | CC[C@H](C(=O)Nc1c(C)nn(CCc2ccccc2F)c1C)c1ccccc1 | CC[C@H](C(=O)Nc1c(C)nn(Cc2ccccc2F)c1C)c1ccccc1 | C |
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<|startoftext|><L>CC[<mask_1:3>H](C(=O)Nc1c(C)nn(Cc2ccccc2F)c1C)c1ccccc1<mask_1:3> | 2 | 3 | 3 | C@ | 3 | CC[C@@H](C(=O)Nc1c(C)nn(Cc2ccccc2F)c1C)c1ccccc1 | CC[C@H](C(=O)Nc1c(C)nn(Cc2ccccc2F)c1C)c1ccccc1 | C@@ |
<|startoftext|><L>Cc1oncc1C(=O<mask_1:3>NCc1ccc(C(=O)c2cccs2)s1<mask_1:3> | 1 | 12 | 3 | ) | 3 | Cc1oncc1C(=O)NCNCc1ccc(C(=O)c2cccs2)s1 | Cc1oncc1C(=O)NCc1ccc(C(=O)c2cccs2)s1 | )NC |
<|startoftext|><L>Cc1oncc1C(=O)NCc1ccc(C(=O)<mask_1:4>2cccs2)s1<mask_1:4> | 1 | 26 | 4 | c | 4 | Cc1oncc1C(=O)NCc1ccc(C(=O)NCCc2cccs2)s1 | Cc1oncc1C(=O)NCc1ccc(C(=O)c2cccs2)s1 | NCCc |
<|startoftext|><L>Cc1oncc1C(=O)NC<mask_1:3>c1ccc(C(=O)c2cccs2)s1<mask_1:3> | 0 | 15 | 3 | 3 | Cc1oncc1C(=O)NCCCSc1ccc(C(=O)c2cccs2)s1 | Cc1oncc1C(=O)NCc1ccc(C(=O)c2cccs2)s1 | CCS |
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<|startoftext|><L>Cc1oncc1C<mask_1:2>NCc1ccc(C(=O)c2cccs2)s1<mask_1:2> | 4 | 9 | 2 | (=O) | 2 | Cc1oncc1CCCNCc1ccc(C(=O)c2cccs2)s1 | Cc1oncc1C(=O)NCc1ccc(C(=O)c2cccs2)s1 | CC |
<|startoftext|><L>Cc1oncc1C(=O)NCc1ccc(C(=O)c2c<mask_1:1>2)s1<mask_1:1> | 3 | 29 | 1 | ccs | 1 | Cc1oncc1C(=O)NCc1ccc(C(=O)c2cs2)s1 | Cc1oncc1C(=O)NCc1ccc(C(=O)c2cccs2)s1 | s |
<|startoftext|><L>Cc<mask_1:5>c1C(=O)NCc1ccc(C(=O)c2cccs2)s1<mask_1:5> | 4 | 2 | 5 | 1onc | 5 | Cc1ccncc1C(=O)NCc1ccc(C(=O)c2cccs2)s1 | Cc1oncc1C(=O)NCc1ccc(C(=O)c2cccs2)s1 | 1ccnc |
<|startoftext|><L>Cc1oncc1C(=O)NCc1c<mask_1:1>C(=O)c2cccs2)s1<mask_1:1> | 3 | 18 | 1 | cc( | 1 | Cc1oncc1C(=O)NCc1c(C(=O)c2cccs2)s1 | Cc1oncc1C(=O)NCc1ccc(C(=O)c2cccs2)s1 | ( |
<|startoftext|><L>Cc1onc<mask_1:4>(=O)NCc1ccc(C(=O)c2cccs2)s1<mask_1:4> | 3 | 6 | 4 | c1C | 4 | Cc1oncc1NC(=O)NCc1ccc(C(=O)c2cccs2)s1 | Cc1oncc1C(=O)NCc1ccc(C(=O)c2cccs2)s1 | c1NC |
<|startoftext|><L>Cc1oncc1C(=O)NCc<mask_1:1>c(C(=O)c2cccs2)s1<mask_1:1> | 3 | 16 | 1 | 1cc | 1 | Cc1oncc1C(=O)NCc1c(C(=O)c2cccs2)s1 | Cc1oncc1C(=O)NCc1ccc(C(=O)c2cccs2)s1 | 1 |
<|startoftext|><L>Cc1oncc1C(=O)NCc1ccc(C(=O)c2ccc<mask_1:5>2)s1<mask_1:5> | 1 | 31 | 5 | s | 5 | Cc1oncc1C(=O)NCc1ccc(C(=O)c2cccc(F)c2)s1 | Cc1oncc1C(=O)NCc1ccc(C(=O)c2cccs2)s1 | c(F)c |