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stringlengths 49
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| first_mask_count
int64 0
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| first_start_index
int64 0
198
| first_mask_gen_count
int64 1
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stringlengths 0
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| first_mask_gen_count_real
int64 0
29
| generated_smiles
stringlengths 12
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| original_smiles
stringlengths 12
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| generated_tokens
stringlengths 0
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|---|---|---|---|---|---|---|---|---|
<|startoftext|><L>O=C(COC(=O)c1ccc[nH]c1=O)NCC12CC3CC(CC(C3)<mask_1:3>)C2<mask_1:3> | 2 | 42 | 3 | C1 | 2 | O=C(COC(=O)c1ccc[nH]c1=O)NCC12CC3CC(CC(C3)C1)C2 | O=C(COC(=O)c1ccc[nH]c1=O)NCC12CC3CC(CC(C3)C1)C2 | C1 |
<|startoftext|><L>O=C(C<mask_1:4>c1ccc[nH]c1=O)NCC12CC3CC(CC(C3)C1)C2<mask_1:4> | 6 | 5 | 4 | OC(=O) | 4 | O=C(CN(C)c1ccc[nH]c1=O)NCC12CC3CC(CC(C3)C1)C2 | O=C(COC(=O)c1ccc[nH]c1=O)NCC12CC3CC(CC(C3)C1)C2 | N(C) |
<|startoftext|><L>O=C(COC(=O)c1ccc[nH]c1=O)NCC<mask_1:1>12CC3CC(CC(C3)C1)C2<mask_1:1> | 0 | 28 | 1 | 1 | O=C(COC(=O)c1ccc[nH]c1=O)NCCC12CC3CC(CC(C3)C1)C2 | O=C(COC(=O)c1ccc[nH]c1=O)NCC12CC3CC(CC(C3)C1)C2 | C |
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<|startoftext|><L>O=C(COC(=O)c1ccc[nH]c1=O)NCC12CC3CC(CC(C3)C1)<mask_1:1>C2<mask_1:1> | 0 | 45 | 1 | 1 | O=C(COC(=O)c1ccc[nH]c1=O)NCC12CC3CC(CC(C3)C1)CC2 | O=C(COC(=O)c1ccc[nH]c1=O)NCC12CC3CC(CC(C3)C1)C2 | C |
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<|startoftext|><L>O=<mask_1:6>(=O)c1ccc[nH]c1=O)NCC12CC3CC(CC(C3)C1)C2<mask_1:6> | 5 | 2 | 6 | C(COC | 6 | O=C(CCNC(=O)c1ccc[nH]c1=O)NCC12CC3CC(CC(C3)C1)C2 | O=C(COC(=O)c1ccc[nH]c1=O)NCC12CC3CC(CC(C3)C1)C2 | C(CCNC |
<|startoftext|><L><mask_1:7>(COC(=O)c1ccc[nH]c1=O)NCC12CC3CC(CC(C3)C1)C2<mask_1:7> | 3 | 0 | 7 | O=C | 7 | C[C@@H](COC(=O)c1ccc[nH]c1=O)NCC12CC3CC(CC(C3)C1)C2 | O=C(COC(=O)c1ccc[nH]c1=O)NCC12CC3CC(CC(C3)C1)C2 | C[C@@H] |
<|startoftext|><L>O=C(COC(=O)c1ccc[nH]c1=O)N<mask_1:7>12CC3CC(CC(C3)C1)C2<mask_1:7> | 2 | 26 | 7 | CC | 7 | O=C(COC(=O)c1ccc[nH]c1=O)NCC(=O)C12CC3CC(CC(C3)C1)C2 | O=C(COC(=O)c1ccc[nH]c1=O)NCC12CC3CC(CC(C3)C1)C2 | CC(=O)C |
<|startoftext|><L>O=C(COC<mask_1:4>(=O)c1ccc[nH]c1=O)NCC12CC3CC(CC(C3)C1)C2<mask_1:4> | 0 | 7 | 4 | 4 | O=C(COCCCNC(=O)c1ccc[nH]c1=O)NCC12CC3CC(CC(C3)C1)C2 | O=C(COC(=O)c1ccc[nH]c1=O)NCC12CC3CC(CC(C3)C1)C2 | CCNC |
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<|startoftext|><L>O=C(COC(=O)c1ccc[nH]c1=O)N<mask_1:6>CC3CC(CC(C3)C1)C2<mask_1:6> | 4 | 26 | 6 | CC12 | 6 | O=C(COC(=O)c1ccc[nH]c1=O)NCC12CCCC3CC(CC(C3)C1)C2 | O=C(COC(=O)c1ccc[nH]c1=O)NCC12CC3CC(CC(C3)C1)C2 | CC12CC |
<|startoftext|><L>O=C(COC(=O)c1ccc<mask_1:5>=O)NCC12CC3CC(CC(C3)C1)C2<mask_1:5> | 6 | 16 | 5 | [nH]c1 | 5 | O=C(COC(=O)c1ccco1)C(=O)NCC12CC3CC(CC(C3)C1)C2 | O=C(COC(=O)c1ccc[nH]c1=O)NCC12CC3CC(CC(C3)C1)C2 | o1)C( |
<|startoftext|><L>Cc1cnn(C[<mask_1:6>CN2C(=O)c2ccc3nc(C)c(C)nc3c2)c1<mask_1:6> | 7 | 9 | 6 | C@H]2CC | 6 | Cc1cnn(C[C@H]2CCN2C(=O)c2ccc3nc(C)c(C)nc3c2)c1 | Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc3nc(C)c(C)nc3c2)c1 | C@H]2C |
<|startoftext|><L>Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc3nc(C)c(C)nc<mask_1:5>)c1<mask_1:5> | 3 | 41 | 5 | 3c2 | 5 | Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc3nc(C)c(C)nc3c2Cl)c1 | Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc3nc(C)c(C)nc3c2)c1 | 3c2Cl |
<|startoftext|><L>Cc1cnn(C<mask_1:4>@H]2CCCN2C(=O)c2ccc3nc(C)c(C)nc3c2)c1<mask_1:4> | 2 | 8 | 4 | [C | 4 | Cc1cnn(CC[C@@H]2CCCN2C(=O)c2ccc3nc(C)c(C)nc3c2)c1 | Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc3nc(C)c(C)nc3c2)c1 | C[C@ |
<|startoftext|><L>Cc1cnn(C<mask_1:2>2CCCN2C(=O)c2ccc3nc(C)c(C)nc3c2)c1<mask_1:2> | 5 | 8 | 2 | [C@H] | 2 | Cc1cnn(CCC2CCCN2C(=O)c2ccc3nc(C)c(C)nc3c2)c1 | Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc3nc(C)c(C)nc3c2)c1 | CC |
<|startoftext|><L>Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc3nc(C)c(C)nc3c2<mask_1:2>)c1<mask_1:2> | 0 | 44 | 2 | 2 | Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc3nc(C)c(C)nc3c2Cl)c1 | Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc3nc(C)c(C)nc3c2)c1 | Cl |
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<|startoftext|><L>Cc1cnn(C[C@H]2CCCN2<mask_1:4>2ccc3nc(C)c(C)nc3c2)c1<mask_1:4> | 6 | 19 | 4 | C(=O)c | 4 | Cc1cnn(C[C@H]2CCCN2CCOc2ccc3nc(C)c(C)nc3c2)c1 | Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc3nc(C)c(C)nc3c2)c1 | CCOc |
<|startoftext|><L>Cc1cnn(C[C@H]2CCCN2C(=O)c2c<mask_1:4>3nc(C)c(C)nc3c2)c1<mask_1:4> | 2 | 27 | 4 | cc | 4 | Cc1cnn(C[C@H]2CCCN2C(=O)c2cc(O)3nc(C)c(C)nc3c2)c1 | Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc3nc(C)c(C)nc3c2)c1 | c(O) |
<|startoftext|><L><mask_1:3>1cnn(C[C@H]2CCCN2C(=O)c2ccc3nc(C)c(C)nc3c2)c1<mask_1:3> | 2 | 0 | 3 | Cc | 3 | COc1cnn(C[C@H]2CCCN2C(=O)c2ccc3nc(C)c(C)nc3c2)c1 | Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc3nc(C)c(C)nc3c2)c1 | COc |
<|startoftext|><L>Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc3nc(C)c(C)n<mask_1:7>c3c2)c1<mask_1:7> | 0 | 40 | 7 | 7 | Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc3nc(C)c(C)n3c3ccccc3c2)c1 | Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc3nc(C)c(C)nc3c2)c1 | 3c3cccc |
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<|startoftext|><L>Cc1cnn(C[C@H]<mask_1:2>N2C(=O)c2ccc3nc(C)c(C)nc3c2)c1<mask_1:2> | 4 | 13 | 2 | 2CCC | 2 | Cc1cnn(C[C@H]2CN2C(=O)c2ccc3nc(C)c(C)nc3c2)c1 | Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc3nc(C)c(C)nc3c2)c1 | 2C |
<|startoftext|><L>COc1ccc(S(=O)(=O)N2CCO<mask_1:6>2)cc1C(=O)NCc1ccc(-n2ccnc2)cc1<mask_1:6> | 2 | 22 | 6 | CC | 6 | COc1ccc(S(=O)(=O)N2CCOC(C)CC2)cc1C(=O)NCc1ccc(-n2ccnc2)cc1 | COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(-n2ccnc2)cc1 | C(C)CC |
<|startoftext|><L>COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(-n2<mask_1:8>)cc1<mask_1:8> | 5 | 45 | 8 | ccnc2 | 8 | COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(-n2nc(C)cc2)cc1 | COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(-n2ccnc2)cc1 | nc(C)cc2 |
<|startoftext|><L>COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC<mask_1:7>1ccc(-n2ccnc2)cc1<mask_1:7> | 1 | 36 | 7 | c | 7 | COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC(=O)Nc1ccc(-n2ccnc2)cc1 | COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(-n2ccnc2)cc1 | C(=O)Nc |
<|startoftext|><L>COc1ccc(S(=O)(=O)N2CCOCC2)cc1<mask_1:2>c1ccc(-n2ccnc2)cc1<mask_1:2> | 7 | 29 | 2 | C(=O)NC | 2 | COc1ccc(S(=O)(=O)N2CCOCC2)cc1NCc1ccc(-n2ccnc2)cc1 | COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(-n2ccnc2)cc1 | NC |
<|startoftext|><L>COc1ccc(S(=O)(=O)N2CC<mask_1:5>CC2)cc1C(=O)NCc1ccc(-n2ccnc2)cc1<mask_1:5> | 1 | 21 | 5 | O | 5 | COc1ccc(S(=O)(=O)N2CCN(C)CCC2)cc1C(=O)NCc1ccc(-n2ccnc2)cc1 | COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(-n2ccnc2)cc1 | N(C)C |
<|startoftext|><L>COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O<mask_1:7>cc(-n2ccnc2)cc1<mask_1:7> | 6 | 33 | 7 | )NCc1c | 7 | COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCc1ccc(-n2ccnc2)cc1 | COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(-n2ccnc2)cc1 | )NCCc1c |
<|startoftext|><L>COc1ccc(S(=O)(=O)N2CCOCC2)<mask_1:4>c1C(=O)NCc1ccc(-n2ccnc2)cc1<mask_1:4> | 1 | 26 | 4 | c | 4 | COc1ccc(S(=O)(=O)N2CCOCC2)c(C)c1C(=O)NCc1ccc(-n2ccnc2)cc1 | COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(-n2ccnc2)cc1 | c(C) |
<|startoftext|><L>COc1ccc(S(=O)(=O)N2CCO<mask_1:8>c1C(=O)NCc1ccc(-n2ccnc2)cc1<mask_1:8> | 5 | 22 | 8 | CC2)c | 8 | COc1ccc(S(=O)(=O)N2CCOCC2)c(C)c1C(=O)NCc1ccc(-n2ccnc2)cc1 | COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(-n2ccnc2)cc1 | CC2)c(C) |
<|startoftext|><L>COc1ccc(S(=O)(=O)N2<mask_1:4>CCOCC2)cc1C(=O)NCc1ccc(-n2ccnc2)cc1<mask_1:4> | 0 | 19 | 4 | 4 | COc1ccc(S(=O)(=O)N2CCCCCCOCC2)cc1C(=O)NCc1ccc(-n2ccnc2)cc1 | COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(-n2ccnc2)cc1 | CCCC |
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<|startoftext|><L>COc1ccc(S(=O<mask_1:3>2CCOCC2)cc1C(=O)NCc1ccc(-n2ccnc2)cc1<mask_1:3> | 6 | 12 | 3 | )(=O)N | 3 | COc1ccc(S(=O)NC2CCOCC2)cc1C(=O)NCc1ccc(-n2ccnc2)cc1 | COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(-n2ccnc2)cc1 | )NC |
<|startoftext|><L>CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N<mask_1:6>H](C)c1cccc(Cl)c1<mask_1:6> | 4 | 32 | 6 | [C@@ | 5 | CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NC[C@@H](C)c1cccc(Cl)c1 | CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@@H](C)c1cccc(Cl)c1 | C[C@@ |
<|startoftext|><L>CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@@H](C<mask_1:3>c1cccc(Cl)c1<mask_1:3> | 1 | 40 | 3 | ) | 3 | CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@@H](C)COc1cccc(Cl)c1 | CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@@H](C)c1cccc(Cl)c1 | )CO |
<|startoftext|><L>CC[C@@H]1CN(C(=<mask_1:5>)CC[C@H]1N[C@@H](C)c1cccc(Cl)c1<mask_1:5> | 7 | 15 | 5 | O)C2CC2 | 5 | CC[C@@H]1CN(C(=O)COC)CC[C@H]1N[C@@H](C)c1cccc(Cl)c1 | CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@@H](C)c1cccc(Cl)c1 | O)COC |
<|startoftext|><L>CC[<mask_1:4>N(C(=O)C2CC2)CC[C@H]1N[C@@H](C)c1cccc(Cl)c1<mask_1:4> | 7 | 3 | 4 | C@@H]1C | 4 | CC[C]1CN(C(=O)C2CC2)CC[C@H]1N[C@@H](C)c1cccc(Cl)c1 | CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@@H](C)c1cccc(Cl)c1 | C]1C |
<|startoftext|><L>CC[C@@H]1CN(C(=O)C2CC2)<mask_1:4>[C@H]1N[C@@H](C)c1cccc(Cl)c1<mask_1:4> | 2 | 23 | 4 | CC | 4 | CC[C@@H]1CN(C(=O)C2CC2)CCCC[C@H]1N[C@@H](C)c1cccc(Cl)c1 | CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@@H](C)c1cccc(Cl)c1 | CCCC |
<|startoftext|><L>CC[C@@H]1CN(C(=O)C2CC2)C<mask_1:6>H]1N[C@@H](C)c1cccc(Cl)c1<mask_1:6> | 4 | 24 | 6 | C[C@ | 5 | CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1N[C@@H](C)c1cccc(Cl)c1 | CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@@H](C)c1cccc(Cl)c1 | C[C@@ |
<|startoftext|><L>CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@@H](C)c1c<mask_1:6>c(Cl)c1<mask_1:6> | 2 | 44 | 6 | cc | 6 | CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@@H](C)c1ccc(Cl)c(Cl)c1 | CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@@H](C)c1cccc(Cl)c1 | cc(Cl) |
<|startoftext|><L>CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1<mask_1:4>@@H](C)c1cccc(Cl)c1<mask_1:4> | 3 | 31 | 4 | N[C | 4 | CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NC[C@@H](C)c1cccc(Cl)c1 | CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@@H](C)c1cccc(Cl)c1 | NC[C |
<|startoftext|><L>CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@@H](C)c1ccc<mask_1:5>(Cl)c1<mask_1:5> | 1 | 46 | 5 | c | 5 | CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@@H](C)c1ccc(OC)c(Cl)c1 | CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@@H](C)c1cccc(Cl)c1 | (OC)c |
<|startoftext|><L>CC[<mask_1:2>1CN(C(=O)C2CC2)CC[C@H]1N[C@@H](C)c1cccc(Cl)c1<mask_1:2> | 5 | 3 | 2 | C@@H] | 2 | CC[C]1CN(C(=O)C2CC2)CC[C@H]1N[C@@H](C)c1cccc(Cl)c1 | CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@@H](C)c1cccc(Cl)c1 | C] |
<|startoftext|><L>COc1ccc([C@H<mask_1:2>CN2C(=O)CN2C(=O)CNC2=O)cc1<mask_1:2> | 5 | 12 | 2 | ]2CNC | 2 | COc1ccc([C@H]2CN2C(=O)CN2C(=O)CNC2=O)cc1 | COc1ccc([C@H]2CNCCN2C(=O)CN2C(=O)CNC2=O)cc1 | ]2 |
<|startoftext|><L>COc1ccc([C@H]2C<mask_1:3>NCCN2C(=O)CN2C(=O)CNC2=O)cc1<mask_1:3> | 0 | 15 | 3 | 3 | COc1ccc([C@H]2C(C)NCCN2C(=O)CN2C(=O)CNC2=O)cc1 | COc1ccc([C@H]2CNCCN2C(=O)CN2C(=O)CNC2=O)cc1 | (C) |
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<|startoftext|><L>COc1ccc([C@H]2CNCCN2C(=O)C<mask_1:6>=O)CNC2=O)cc1<mask_1:6> | 4 | 26 | 6 | N2C( | 6 | COc1ccc([C@H]2CNCCN2C(=O)CCCN2C(=O)CNC2=O)cc1 | COc1ccc([C@H]2CNCCN2C(=O)CN2C(=O)CNC2=O)cc1 | CCN2C( |
<|startoftext|><L>COc1ccc([C@H]2C<mask_1:2>2C(=O)CN2C(=O)CNC2=O)cc1<mask_1:2> | 4 | 15 | 2 | NCCN | 2 | COc1ccc([C@H]2CCN2C(=O)CN2C(=O)CNC2=O)cc1 | COc1ccc([C@H]2CNCCN2C(=O)CN2C(=O)CNC2=O)cc1 | CN |
<|startoftext|><L>COc1c<mask_1:5>H]2CNCCN2C(=O)CN2C(=O)CNC2=O)cc1<mask_1:5> | 6 | 5 | 5 | cc([C@ | 5 | COc1ccc([CH]2CNCCN2C(=O)CN2C(=O)CNC2=O)cc1 | COc1ccc([C@H]2CNCCN2C(=O)CN2C(=O)CNC2=O)cc1 | cc([C |
<|startoftext|><L>COc1ccc([C@H]2<mask_1:3>N2C(=O)CN2C(=O)CNC2=O)cc1<mask_1:3> | 4 | 14 | 3 | CNCC | 3 | COc1ccc([C@H]2CCCN2C(=O)CN2C(=O)CNC2=O)cc1 | COc1ccc([C@H]2CNCCN2C(=O)CN2C(=O)CNC2=O)cc1 | CCC |
<|startoftext|><L>COc1ccc(<mask_1:3>@H]2CNCCN2C(=O)CN2C(=O)CNC2=O)cc1<mask_1:3> | 2 | 8 | 3 | [C | 3 | COc1ccc([C@@H]2CNCCN2C(=O)CN2C(=O)CNC2=O)cc1 | COc1ccc([C@H]2CNCCN2C(=O)CN2C(=O)CNC2=O)cc1 | [C@ |
<|startoftext|><L>COc1ccc([C@H]2CNCCN2C(=O)C<mask_1:3>N2C(=O)CNC2=O)cc1<mask_1:3> | 0 | 26 | 3 | 3 | COc1ccc([C@H]2CNCCN2C(=O)CCCCN2C(=O)CNC2=O)cc1 | COc1ccc([C@H]2CNCCN2C(=O)CN2C(=O)CNC2=O)cc1 | CCC |
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<|startoftext|><L>CO<mask_1:5>ccc([C@H]2CNCCN2C(=O)CN2C(=O)CNC2=O)cc1<mask_1:5> | 2 | 2 | 5 | c1 | 5 | COCCOc1ccc([C@H]2CNCCN2C(=O)CN2C(=O)CNC2=O)cc1 | COc1ccc([C@H]2CNCCN2C(=O)CN2C(=O)CNC2=O)cc1 | CCOc1 |
<|startoftext|><L>COc1ccc([C@H]2CNCCN2C(=O)CN2C<mask_1:1>CNC2=O)cc1<mask_1:1> | 4 | 29 | 1 | (=O) | 1 | COc1ccc([C@H]2CNCCN2C(=O)CN2CCCNC2=O)cc1 | COc1ccc([C@H]2CNCCN2C(=O)CN2C(=O)CNC2=O)cc1 | C |
<|startoftext|><L>Cn1c(O)nc(N2CCN(c3ncnc4c<mask_1:6>cc34)CC2)cc1=O<mask_1:6> | 5 | 24 | 6 | c(F)c | 6 | Cn1c(O)nc(N2CCN(c3ncnc4cnc(Cl)cc34)CC2)cc1=O | Cn1c(O)nc(N2CCN(c3ncnc4cc(F)ccc34)CC2)cc1=O | nc(Cl) |
<|startoftext|><L>Cn1c(O)<mask_1:2>nc(N2CCN(c3ncnc4cc(F)ccc34)CC2)cc1=O<mask_1:2> | 0 | 7 | 2 | 2 | Cn1c(O)ncnc(N2CCN(c3ncnc4cc(F)ccc34)CC2)cc1=O | Cn1c(O)nc(N2CCN(c3ncnc4cc(F)ccc34)CC2)cc1=O | nc |
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<|startoftext|><L>Cn1c(O)nc(N2CCN(c3ncnc4cc(F)ccc3<mask_1:6>)cc1=O<mask_1:6> | 5 | 32 | 6 | 4)CC2 | 5 | Cn1c(O)nc(N2CCN(c3ncnc4cc(F)ccc34)CC2)cc1=O | Cn1c(O)nc(N2CCN(c3ncnc4cc(F)ccc34)CC2)cc1=O | 4)CC2 |
<|startoftext|><L>Cn1c(O)nc(N2CCN(c3<mask_1:2>c4cc(F)ccc34)CC2)cc1=O<mask_1:2> | 3 | 18 | 2 | ncn | 2 | Cn1c(O)nc(N2CCN(c3nsc4cc(F)ccc34)CC2)cc1=O | Cn1c(O)nc(N2CCN(c3ncnc4cc(F)ccc34)CC2)cc1=O | ns |
<|startoftext|><L>Cn1c(O)nc(N<mask_1:4>3ncnc4cc(F)ccc34)CC2)cc1=O<mask_1:4> | 6 | 11 | 4 | 2CCN(c | 4 | Cn1c(O)nc(NC2(c3ncnc4cc(F)ccc34)CC2)cc1=O | Cn1c(O)nc(N2CCN(c3ncnc4cc(F)ccc34)CC2)cc1=O | C2(c |
<|startoftext|><L>Cn1c(O)nc(N2CCN(c3ncnc4cc<mask_1:6>c34)CC2)cc1=O<mask_1:6> | 5 | 25 | 6 | (F)cc | 6 | Cn1c(O)nc(N2CCN(c3ncnc4ccc(Br)cc34)CC2)cc1=O | Cn1c(O)nc(N2CCN(c3ncnc4cc(F)ccc34)CC2)cc1=O | c(Br)c |
<|startoftext|><L>Cn1c(O)nc(N2CCN(c3ncnc4cc(F)c<mask_1:6>4)CC2)cc1=O<mask_1:6> | 3 | 29 | 6 | cc3 | 6 | Cn1c(O)nc(N2CCN(c3ncnc4cc(F)c(F)cc34)CC2)cc1=O | Cn1c(O)nc(N2CCN(c3ncnc4cc(F)ccc34)CC2)cc1=O | (F)cc3 |
<|startoftext|><L>Cn1c(O)nc(N2CCN(c3ncnc4cc(F)ccc<mask_1:2>4)CC2)cc1=O<mask_1:2> | 1 | 31 | 2 | 3 | 2 | Cn1c(O)nc(N2CCN(c3ncnc4cc(F)ccc3-4)CC2)cc1=O | Cn1c(O)nc(N2CCN(c3ncnc4cc(F)ccc34)CC2)cc1=O | 3- |
<|startoftext|><L>Cn1c(O)nc(N2CCN(c3ncnc4cc(F)<mask_1:6>cc34)CC2)cc1=O<mask_1:6> | 1 | 28 | 6 | c | 6 | Cn1c(O)nc(N2CCN(c3ncnc4cc(F)c(C#N)cc34)CC2)cc1=O | Cn1c(O)nc(N2CCN(c3ncnc4cc(F)ccc34)CC2)cc1=O | c(C#N) |
<|startoftext|><L>Cn1c(O)nc(N<mask_1:6>2CCN(c3ncnc4cc(F)ccc34)CC2)cc1=O<mask_1:6> | 0 | 11 | 6 | 6 | Cn1c(O)nc(NC(=O)C2CCN(c3ncnc4cc(F)ccc34)CC2)cc1=O | Cn1c(O)nc(N2CCN(c3ncnc4cc(F)ccc34)CC2)cc1=O | C(=O)C |
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<|startoftext|><L>CCOC(=O)c1ccc(NC(=O)/C=C/c2<mask_1:4>)cc2)cc1<mask_1:4> | 6 | 27 | 4 | ccc(Cl | 4 | CCOC(=O)c1ccc(NC(=O)/C=C/c2nn(C)cc2)cc1 | CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 | nn(C |
<|startoftext|><L>CCOC(=O)c<mask_1:5>cc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1<mask_1:5> | 2 | 9 | 5 | 1c | 5 | CCOC(=O)c1c(C)cc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 | CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 | 1c(C) |
<|startoftext|><L>CC<mask_1:2>)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1<mask_1:2> | 5 | 2 | 2 | OC(=O | 2 | CC(C)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 | CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 | (C |
<|startoftext|><L>CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(C<mask_1:2>2)cc1<mask_1:2> | 4 | 32 | 2 | l)cc | 2 | CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(C)o2)cc1 | CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 | )o |
<|startoftext|><L>CCOC(=O)c1ccc(NC(=O)/C=C/c2cc<mask_1:6>)cc2)cc1<mask_1:6> | 4 | 29 | 6 | c(Cl | 6 | CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(CC#N)cc2)cc1 | CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 | c(CC#N |
<|startoftext|><L>CCOC(=O)c1ccc(NC(=O<mask_1:3>/c2ccc(Cl)cc2)cc1<mask_1:3> | 5 | 19 | 3 | )/C=C | 3 | CCOC(=O)c1ccc(NC(=O)CS/c2ccc(Cl)cc2)cc1 | CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 | )CS |
<|startoftext|><L>C<mask_1:2>(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1<mask_1:2> | 3 | 1 | 2 | COC | 2 | COC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 | CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 | OC |
<|startoftext|><L>CCOC(=O)c1ccc(NC(=O)/C=C/c2<mask_1:4>l)cc2)cc1<mask_1:4> | 5 | 27 | 4 | ccc(C | 4 | CCOC(=O)c1ccc(NC(=O)/C=C/c2sc(Cl)cc2)cc1 | CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 | sc(C |
<|startoftext|><L>CCOC(=O)c1ccc(NC(=O)/C<mask_1:6>ccc(Cl)cc2)cc1<mask_1:6> | 5 | 22 | 6 | =C/c2 | 6 | CCOC(=O)c1ccc(NC(=O)/C=C/Nc2ccc(Cl)cc2)cc1 | CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 | =C/Nc2 |
<|startoftext|><L>CCOC(=O)c1ccc(NC(=O)/C=C/c2cc<mask_1:6>(Cl)cc2)cc1<mask_1:6> | 1 | 29 | 6 | c | 6 | CCOC(=O)c1ccc(NC(=O)/C=C/c2cc(C#N)c(Cl)cc2)cc1 | CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 | (C#N)c |
<|startoftext|><L>CCn1c(-c2cnc(N3CCOCC3)nc2)nc2cc(<mask_1:2>ccc21<mask_1:2> | 4 | 32 | 2 | C#N) | 2 | CCn1c(-c2cnc(N3CCOCC3)nc2)nc2cc(C)ccc21 | CCn1c(-c2cnc(N3CCOCC3)nc2)nc2cc(C#N)ccc21 | C) |
<|startoftext|><L>CCn1c(-c2cnc(N3<mask_1:3>OCC3)nc2)nc2cc(C#N)ccc21<mask_1:3> | 2 | 15 | 3 | CC | 3 | CCn1c(-c2cnc(N3CCCOCC3)nc2)nc2cc(C#N)ccc21 | CCn1c(-c2cnc(N3CCOCC3)nc2)nc2cc(C#N)ccc21 | CCC |
<|startoftext|><L>CCn1c(-c<mask_1:2>c(N3CCOCC3)nc2)nc2cc(C#N)ccc21<mask_1:2> | 3 | 8 | 2 | 2cn | 2 | CCn1c(-c2sc(N3CCOCC3)nc2)nc2cc(C#N)ccc21 | CCn1c(-c2cnc(N3CCOCC3)nc2)nc2cc(C#N)ccc21 | 2s |
<|startoftext|><L><mask_1:3>c(-c2cnc(N3CCOCC3)nc2)nc2cc(C#N)ccc21<mask_1:3> | 4 | 0 | 3 | CCn1 | 3 | Cn1c(-c2cnc(N3CCOCC3)nc2)nc2cc(C#N)ccc21 | CCn1c(-c2cnc(N3CCOCC3)nc2)nc2cc(C#N)ccc21 | Cn1 |
<|startoftext|><L>CCn1c(-c2cnc(N3CCOCC3)nc2)nc2cc(C<mask_1:2>#N)ccc21<mask_1:2> | 0 | 33 | 2 | 2 | CCn1c(-c2cnc(N3CCOCC3)nc2)nc2cc(CCC#N)ccc21 | CCn1c(-c2cnc(N3CCOCC3)nc2)nc2cc(C#N)ccc21 | CC |
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<|startoftext|><L>CCn1c(-c2cnc(N3CCOC<mask_1:1>)nc2)nc2cc(C#N)ccc21<mask_1:1> | 2 | 19 | 1 | C3 | 1 | CCn1c(-c2cnc(N3CCOC3)nc2)nc2cc(C#N)ccc21 | CCn1c(-c2cnc(N3CCOCC3)nc2)nc2cc(C#N)ccc21 | 3 |
<|startoftext|><L>CCn1c(-c2cnc(N3C<mask_1:2>)nc2)nc2cc(C#N)ccc21<mask_1:2> | 5 | 16 | 2 | COCC3 | 2 | CCn1c(-c2cnc(N3CC3)nc2)nc2cc(C#N)ccc21 | CCn1c(-c2cnc(N3CCOCC3)nc2)nc2cc(C#N)ccc21 | C3 |
<|startoftext|><L>CCn1c(-c2cnc(N3CCOCC3)nc<mask_1:2>)nc2cc(C#N)ccc21<mask_1:2> | 1 | 24 | 2 | 2 | 2 | CCn1c(-c2cnc(N3CCOCC3)nc2C)nc2cc(C#N)ccc21 | CCn1c(-c2cnc(N3CCOCC3)nc2)nc2cc(C#N)ccc21 | 2C |
<|startoftext|><L>CCn1c(-c2cnc(N3CCOCC3)nc2)nc2c<mask_1:3>C#N)ccc21<mask_1:3> | 2 | 30 | 3 | c( | 3 | CCn1c(-c2cnc(N3CCOCC3)nc2)nc2cc(CC#N)ccc21 | CCn1c(-c2cnc(N3CCOCC3)nc2)nc2cc(C#N)ccc21 | c(C |
<|startoftext|><L>C<mask_1:3>n1c(-c2cnc(N3CCOCC3)nc2)nc2cc(C#N)ccc21<mask_1:3> | 1 | 1 | 3 | C | 3 | COCCn1c(-c2cnc(N3CCOCC3)nc2)nc2cc(C#N)ccc21 | CCn1c(-c2cnc(N3CCOCC3)nc2)nc2cc(C#N)ccc21 | OCC |
<|startoftext|><L>O<mask_1:5>c2c(Cl)cc(Cl)cc2[C@@]12Nc1ccccc1S2<mask_1:5> | 4 | 1 | 5 | =C1N | 5 | O=C1COc2c(Cl)cc(Cl)cc2[C@@]12Nc1ccccc1S2 | O=C1Nc2c(Cl)cc(Cl)cc2[C@@]12Nc1ccccc1S2 | =C1CO |
<|startoftext|><L>O=C1Nc2c(Cl)cc(Cl)cc2[C@@]12Nc1ccccc1<mask_1:3>2<mask_1:3> | 1 | 37 | 3 | S | 3 | O=C1Nc2c(Cl)cc(Cl)cc2[C@@]12Nc1ccccc1C=N2 | O=C1Nc2c(Cl)cc(Cl)cc2[C@@]12Nc1ccccc1S2 | C=N |
<|startoftext|><L>O=C1Nc2c(Cl)cc(Cl)cc2[C@@]12<mask_1:4>Nc1ccccc1S2<mask_1:4> | 0 | 28 | 4 | 4 | O=C1Nc2c(Cl)cc(Cl)cc2[C@@]12C=CCNc1ccccc1S2 | O=C1Nc2c(Cl)cc(Cl)cc2[C@@]12Nc1ccccc1S2 | C=CC |
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<|startoftext|><L>O=C1Nc2c(Cl)cc(Cl)<mask_1:5>C@@]12Nc1ccccc1S2<mask_1:5> | 4 | 18 | 5 | cc2[ | 5 | O=C1Nc2c(Cl)cc(Cl)cc2N[C@@]12Nc1ccccc1S2 | O=C1Nc2c(Cl)cc(Cl)cc2[C@@]12Nc1ccccc1S2 | cc2N[ |
<|startoftext|><L>O=C1N<mask_1:3>2c(Cl)cc(Cl)cc2[C@@]12Nc1ccccc1S2<mask_1:3> | 1 | 5 | 3 | c | 3 | O=C1NCOc2c(Cl)cc(Cl)cc2[C@@]12Nc1ccccc1S2 | O=C1Nc2c(Cl)cc(Cl)cc2[C@@]12Nc1ccccc1S2 | COc |
<|startoftext|><L>O=C1Nc2c(<mask_1:2>cc(Cl)cc2[C@@]12Nc1ccccc1S2<mask_1:2> | 3 | 9 | 2 | Cl) | 2 | O=C1Nc2c(F)cc(Cl)cc2[C@@]12Nc1ccccc1S2 | O=C1Nc2c(Cl)cc(Cl)cc2[C@@]12Nc1ccccc1S2 | F) |
<|startoftext|><L>O=C1Nc2c(Cl)cc(Cl)cc2[C@@]12Nc1c<mask_1:4>ccc1S2<mask_1:4> | 1 | 32 | 4 | c | 4 | O=C1Nc2c(Cl)cc(Cl)cc2[C@@]12Nc1cc(F)ccc1S2 | O=C1Nc2c(Cl)cc(Cl)cc2[C@@]12Nc1ccccc1S2 | c(F) |
<|startoftext|><L>O=C1Nc2c(Cl)cc(Cl)cc2[C@@]1<mask_1:5>ccccc1S2<mask_1:5> | 4 | 27 | 5 | 2Nc1 | 5 | O=C1Nc2c(Cl)cc(Cl)cc2[C@@]12CNc1ccccc1S2 | O=C1Nc2c(Cl)cc(Cl)cc2[C@@]12Nc1ccccc1S2 | 2CNc1 |
<|startoftext|><L>O=C1Nc2c(<mask_1:2>cc(Cl)cc2[C@@]12Nc1ccccc1S2<mask_1:2> | 3 | 9 | 2 | Cl) | 2 | O=C1Nc2c(F)cc(Cl)cc2[C@@]12Nc1ccccc1S2 | O=C1Nc2c(Cl)cc(Cl)cc2[C@@]12Nc1ccccc1S2 | F) |
<|startoftext|><L>O=C<mask_1:4>2c(Cl)cc(Cl)cc2[C@@]12Nc1ccccc1S2<mask_1:4> | 3 | 3 | 4 | 1Nc | 4 | O=C1CNc2c(Cl)cc(Cl)cc2[C@@]12Nc1ccccc1S2 | O=C1Nc2c(Cl)cc(Cl)cc2[C@@]12Nc1ccccc1S2 | 1CNc |
<|startoftext|><L>O=C1CCN(C(=O)[C@H]2CCCO2)[C@H](c2ccc<mask_1:6>C1<mask_1:6> | 4 | 36 | 6 | cc2) | 6 | O=C1CCN(C(=O)[C@H]2CCCO2)[C@H](c2ccccc2Cl)C1 | O=C1CCN(C(=O)[C@H]2CCCO2)[C@H](c2ccccc2)C1 | cc2Cl) |
<|startoftext|><L>O=C1CCN(C(=O)[C@H]2CCCO2)<mask_1:1>(c2ccccc2)C1<mask_1:1> | 5 | 25 | 1 | [C@H] | 1 | O=C1CCN(C(=O)[C@H]2CCCO2)N(c2ccccc2)C1 | O=C1CCN(C(=O)[C@H]2CCCO2)[C@H](c2ccccc2)C1 | N |
<|startoftext|><L>O=C1<mask_1:1>CCN(C(=O)[C@H]2CCCO2)[C@H](c2ccccc2)C1<mask_1:1> | 0 | 4 | 1 | 1 | O=C1CCCN(C(=O)[C@H]2CCCO2)[C@H](c2ccccc2)C1 | O=C1CCN(C(=O)[C@H]2CCCO2)[C@H](c2ccccc2)C1 | C |
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<|startoftext|><L>O=C1CCN(<mask_1:1>C@H]2CCCO2)[C@H](c2ccccc2)C1<mask_1:1> | 6 | 8 | 1 | C(=O)[ | 1 | O=C1CCN([C@H]2CCCO2)[C@H](c2ccccc2)C1 | O=C1CCN(C(=O)[C@H]2CCCO2)[C@H](c2ccccc2)C1 | [ |
<|startoftext|><L>O=C<mask_1:3>(C(=O)[C@H]2CCCO2)[C@H](c2ccccc2)C1<mask_1:3> | 4 | 3 | 3 | 1CCN | 3 | O=C1CN(C(=O)[C@H]2CCCO2)[C@H](c2ccccc2)C1 | O=C1CCN(C(=O)[C@H]2CCCO2)[C@H](c2ccccc2)C1 | 1CN |
<|startoftext|><L>O=C1CCN(C(=O)[C@H]2CC<mask_1:4>O2)[C@H](c2ccccc2)C1<mask_1:4> | 1 | 21 | 4 | C | 4 | O=C1CCN(C(=O)[C@H]2CC(=O)O2)[C@H](c2ccccc2)C1 | O=C1CCN(C(=O)[C@H]2CCCO2)[C@H](c2ccccc2)C1 | (=O) |
<|startoftext|><L>O=C1CCN(C(<mask_1:6>O)[C@H]2CCCO2)[C@H](c2ccccc2)C1<mask_1:6> | 1 | 10 | 6 | = | 6 | O=C1CCN(C(=O)C(=O)[C@H]2CCCO2)[C@H](c2ccccc2)C1 | O=C1CCN(C(=O)[C@H]2CCCO2)[C@H](c2ccccc2)C1 | =O)C(= |
<|startoftext|><L>O=C1CCN(C(=O)[C@H]2CCCO2)[C@H](c<mask_1:3>2)C1<mask_1:3> | 6 | 32 | 3 | 2ccccc | 3 | O=C1CCN(C(=O)[C@H]2CCCO2)[C@H](c2CC2)C1 | O=C1CCN(C(=O)[C@H]2CCCO2)[C@H](c2ccccc2)C1 | 2CC |
<|startoftext|><L>O=C<mask_1:1>1CCN(C(=O)[C@H]2CCCO2)[C@H](c2ccccc2)C1<mask_1:1> | 0 | 3 | 1 | 1 | O=CN1CCN(C(=O)[C@H]2CCCO2)[C@H](c2ccccc2)C1 | O=C1CCN(C(=O)[C@H]2CCCO2)[C@H](c2ccccc2)C1 | N |
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<|startoftext|><L>O=C1CCN(C(<mask_1:6>=O)[C@H]2CCCO2)[C@H](c2ccccc2)C1<mask_1:6> | 0 | 10 | 6 | 6 | O=C1CCN(C(=S)NC(=O)[C@H]2CCCO2)[C@H](c2ccccc2)C1 | O=C1CCN(C(=O)[C@H]2CCCO2)[C@H](c2ccccc2)C1 | =S)NC( |