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stringlengths 49
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| first_mask_count
int64 0
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| first_start_index
int64 0
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| first_mask_gen_count
int64 1
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stringlengths 0
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| first_mask_gen_count_real
int64 0
18
| generated_smiles
stringlengths 12
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| original_smiles
stringlengths 12
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<|startoftext|><L>COCCC(=O)N1CCc2cc(S(=O)(<mask_1:5>N3CCC[C@@H]3COC)ccc2C1<mask_1:5> | 3 | 24 | 5 | =O) | 5 | COCCC(=O)N1CCc2cc(S(=O)(=O)NCN3CCC[C@@H]3COC)ccc2C1 | COCCC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@@H]3COC)ccc2C1 | =O)NC |
<|startoftext|><L>COCCC(<mask_1:7>N1CCc2cc(S(=O)(=O)N3CCC[C@@H]3COC)ccc2C1<mask_1:7> | 3 | 6 | 7 | =O) | 7 | COCCC(=O)NCCCN1CCc2cc(S(=O)(=O)N3CCC[C@@H]3COC)ccc2C1 | COCCC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@@H]3COC)ccc2C1 | =O)NCCC |
<|startoftext|><L>COCCC(=O)N1CCc2cc(<mask_1:5>S(=O)(=O)N3CCC[C@@H]3COC)ccc2C1<mask_1:5> | 0 | 18 | 5 | 5 | COCCC(=O)N1CCc2cc(CN(C)S(=O)(=O)N3CCC[C@@H]3COC)ccc2C1 | COCCC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@@H]3COC)ccc2C1 | CN(C) |
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<|startoftext|><L>COCCC(=O)N1CCc2cc(S(=O)(=O)N<mask_1:6>@H]3COC)ccc2C1<mask_1:6> | 7 | 28 | 6 | 3CCC[C@ | 6 | COCCC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@H]3COC)ccc2C1 | COCCC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@@H]3COC)ccc2C1 | 3CCC[C |
<|startoftext|><L>COCCC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C<mask_1:3>COC)ccc2C1<mask_1:3> | 5 | 34 | 3 | @@H]3 | 3 | COCCC(=O)N1CCc2cc(S(=O)(=O)N3CCC[CH]3COC)ccc2C1 | COCCC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@@H]3COC)ccc2C1 | H]3 |
<|startoftext|><L>COCCC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@@<mask_1:3>)ccc2C1<mask_1:3> | 6 | 36 | 3 | H]3COC | 3 | COCCC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@@H]3)ccc2C1 | COCCC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@@H]3COC)ccc2C1 | H]3 |
<|startoftext|><L>COCCC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@@H]3C<mask_1:3>OC)ccc2C1<mask_1:3> | 0 | 40 | 3 | 3 | COCCC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@@H]3C(C)OC)ccc2C1 | COCCC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@@H]3COC)ccc2C1 | (C) |
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<|startoftext|><L>COCCC(=O)N1CCc2cc(S(=O)(=O)N3CCC[<mask_1:5>OC)ccc2C1<mask_1:5> | 7 | 33 | 5 | C@@H]3C | 5 | COCCC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@H]3OC)ccc2C1 | COCCC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@@H]3COC)ccc2C1 | C@H]3 |
<|startoftext|><L><mask_1:5>CC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@@H]3COC)ccc2C1<mask_1:5> | 3 | 0 | 5 | COC | 5 | CC(C)CC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@@H]3COC)ccc2C1 | COCCC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@@H]3COC)ccc2C1 | CC(C) |
<|startoftext|><L>COCCC(=O)N1CCc2cc(S(=O)(=O)<mask_1:5>C@@H]3COC)ccc2C1<mask_1:5> | 6 | 27 | 5 | N3CCC[ | 5 | COCCC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@@H]3COC)ccc2C1 | COCCC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@@H]3COC)ccc2C1 | N3CC[ |
<|startoftext|><L>CC(=O)Nc1ccc(CN2CCC[C@@H]3CCCC[C@@H]3<mask_1:5>c1<mask_1:5> | 3 | 37 | 5 | 2)c | 6 | CC(=O)Nc1ccc(CN2CCC[C@@H]3CCCC[C@@H]32)c(O)c1 | CC(=O)Nc1ccc(CN2CCC[C@@H]3CCCC[C@@H]32)cc1 | 2)c(O) |
<|startoftext|><L>CC(=<mask_1:6>ccc(CN2CCC[C@@H]3CCCC[C@@H]32)cc1<mask_1:6> | 5 | 4 | 6 | O)Nc1 | 6 | CC(=O)NCc1ccc(CN2CCC[C@@H]3CCCC[C@@H]32)cc1 | CC(=O)Nc1ccc(CN2CCC[C@@H]3CCCC[C@@H]32)cc1 | O)NCc1 |
<|startoftext|><L>CC(=O)Nc1ccc(CN<mask_1:6>C[C@@H]3CCCC[C@@H]32)cc1<mask_1:6> | 3 | 15 | 6 | 2CC | 6 | CC(=O)Nc1ccc(CN[C@H]2C[C@@H]3CCCC[C@@H]32)cc1 | CC(=O)Nc1ccc(CN2CCC[C@@H]3CCCC[C@@H]32)cc1 | [C@H]2 |
<|startoftext|><L>CC(=O)Nc1ccc(CN2CC<mask_1:6>H]3CCCC[C@@H]32)cc1<mask_1:6> | 5 | 18 | 6 | C[C@@ | 6 | CC(=O)Nc1ccc(CN2CCCO[C@@H]3CCCC[C@@H]32)cc1 | CC(=O)Nc1ccc(CN2CCC[C@@H]3CCCC[C@@H]32)cc1 | CO[C@@ |
<|startoftext|><L>CC(=O)Nc1<mask_1:6>N2CCC[C@@H]3CCCC[C@@H]32)cc1<mask_1:6> | 5 | 9 | 6 | ccc(C | 6 | CC(=O)Nc1ccc(CCN2CCC[C@@H]3CCCC[C@@H]32)cc1 | CC(=O)Nc1ccc(CN2CCC[C@@H]3CCCC[C@@H]32)cc1 | ccc(CC |
<|startoftext|><L>CC(=O)Nc1ccc(CN2C<mask_1:4>@H]3CCCC[C@@H]32)cc1<mask_1:4> | 5 | 17 | 4 | CC[C@ | 4 | CC(=O)Nc1ccc(CN2CCS[C@H]3CCCC[C@@H]32)cc1 | CC(=O)Nc1ccc(CN2CCC[C@@H]3CCCC[C@@H]32)cc1 | CS[C |
<|startoftext|><L><mask_1:5>Nc1ccc(CN2CCC[C@@H]3CCCC[C@@H]32)cc1<mask_1:5> | 6 | 0 | 5 | CC(=O) | 5 | CC(C)Nc1ccc(CN2CCC[C@@H]3CCCC[C@@H]32)cc1 | CC(=O)Nc1ccc(CN2CCC[C@@H]3CCCC[C@@H]32)cc1 | CC(C) |
<|startoftext|><L>CC(=O)Nc1ccc(CN2CCC[C@@H]3<mask_1:3>CC[C@@H]32)cc1<mask_1:3> | 2 | 26 | 3 | CC | 3 | CC(=O)Nc1ccc(CN2CCC[C@@H]3CCCCC[C@@H]32)cc1 | CC(=O)Nc1ccc(CN2CCC[C@@H]3CCCC[C@@H]32)cc1 | CCC |
<|startoftext|><L>CC(=O)Nc1ccc(CN2CCC<mask_1:5>3CCCC[C@@H]32)cc1<mask_1:5> | 6 | 19 | 5 | [C@@H] | 5 | CC(=O)Nc1ccc(CN2CCC[C@H]3CCCC[C@@H]32)cc1 | CC(=O)Nc1ccc(CN2CCC[C@@H]3CCCC[C@@H]32)cc1 | [C@H] |
<|startoftext|><L>CC(=O)Nc1ccc(CN2<mask_1:4>CC[C@@H]3CCCC[C@@H]32)cc1<mask_1:4> | 1 | 16 | 4 | C | 4 | CC(=O)Nc1ccc(CN2CCCOCC[C@@H]3CCCC[C@@H]32)cc1 | CC(=O)Nc1ccc(CN2CCC[C@@H]3CCCC[C@@H]32)cc1 | CCCO |
<|startoftext|><L>O=C(O)[C@H]1CCCN(<mask_1:6>O)Cc2cc3ccccc3[nH]c2=O)C1<mask_1:6> | 3 | 17 | 6 | C(= | 6 | O=C(O)[C@H]1CCCN([C@H](O)Cc2cc3ccccc3[nH]c2=O)C1 | O=C(O)[C@H]1CCCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1 | [C@H]( |
<|startoftext|><L>O=C(O)[C@H]1C<mask_1:3>C(=O)Cc2cc3ccccc3[nH]c2=O)C1<mask_1:3> | 4 | 13 | 3 | CCN( | 3 | O=C(O)[C@H]1CCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1 | O=C(O)[C@H]1CCCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1 | CN( |
<|startoftext|><L>O=C(<mask_1:3>[C@H]1CCCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1<mask_1:3> | 2 | 4 | 3 | O) | 3 | O=C(O)C[C@H]1CCCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1 | O=C(O)[C@H]1CCCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1 | O)C |
<|startoftext|><L>O=C<mask_1:5>C@H]1CCCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1<mask_1:5> | 4 | 3 | 5 | (O)[ | 5 | O=C(O)C[C@H]1CCCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1 | O=C(O)[C@H]1CCCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1 | (O)C[ |
<|startoftext|><L>O=C(O)[C@H]1CCCN(C(=O)Cc2cc3ccccc3[nH]c<mask_1:3>O)C1<mask_1:3> | 2 | 39 | 3 | 2= | 3 | O=C(O)[C@H]1CCCN(C(=O)Cc2cc3ccccc3[nH]c2=NO)C1 | O=C(O)[C@H]1CCCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1 | 2=N |
<|startoftext|><L>O=C(O)[C@H]1CCC<mask_1:6>=O)Cc2cc3ccccc3[nH]c2=O)C1<mask_1:6> | 4 | 15 | 6 | N(C( | 6 | O=C(O)[C@H]1CCCCCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1 | O=C(O)[C@H]1CCCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1 | CCN(C( |
<|startoftext|><L>O=C(O)[C@H]1CCC<mask_1:4>C(=O)Cc2cc3ccccc3[nH]c2=O)C1<mask_1:4> | 2 | 15 | 4 | N( | 4 | O=C(O)[C@H]1CCCCN(NC(=O)Cc2cc3ccccc3[nH]c2=O)C1 | O=C(O)[C@H]1CCCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1 | CN(N |
<|startoftext|><L>O=C(O)[C@<mask_1:6>CCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1<mask_1:6> | 4 | 9 | 6 | H]1C | 6 | O=C(O)[C@]1(CO)CCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1 | O=C(O)[C@H]1CCCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1 | ]1(CO) |
<|startoftext|><L>O=C(O)[C@H]1CCCN(C(=O)Cc2cc3c<mask_1:3>3[nH]c2=O)C1<mask_1:3> | 4 | 29 | 3 | cccc | 3 | O=C(O)[C@H]1CCCN(C(=O)Cc2cc3ccsc3[nH]c2=O)C1 | O=C(O)[C@H]1CCCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1 | csc |
<|startoftext|><L>O=C(O)[C<mask_1:2>CCCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1<mask_1:2> | 4 | 8 | 2 | @H]1 | 2 | O=C(O)[C]1CCCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1 | O=C(O)[C@H]1CCCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1 | ]1 |
<|startoftext|><L>COc1cnc(OC2CC<mask_1:6>(c3nc(C)nc4c3cnn4C)CC2)nc1<mask_1:6> | 1 | 13 | 6 | N | 6 | COc1cnc(OC2CCN(C)CC(c3nc(C)nc4c3cnn4C)CC2)nc1 | COc1cnc(OC2CCN(c3nc(C)nc4c3cnn4C)CC2)nc1 | N(C)CC |
<|startoftext|><L>COc1cnc(OC2CCN(c3nc<mask_1:6>4c3cnn4C)CC2)nc1<mask_1:6> | 5 | 19 | 6 | (C)nc | 6 | COc1cnc(OC2CCN(c3nc(Cl)nc4c3cnn4C)CC2)nc1 | COc1cnc(OC2CCN(c3nc(C)nc4c3cnn4C)CC2)nc1 | (Cl)nc |
<|startoftext|><L>COc1cnc(OC2CCN<mask_1:1>(c3nc(C)nc4c3cnn4C)CC2)nc1<mask_1:1> | 0 | 14 | 1 | 1 | COc1cnc(OC2CCNC(c3nc(C)nc4c3cnn4C)CC2)nc1 | COc1cnc(OC2CCN(c3nc(C)nc4c3cnn4C)CC2)nc1 | C |
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<|startoftext|><L>COc1cn<mask_1:4>C2CCN(c3nc(C)nc4c3cnn4C)CC2)nc1<mask_1:4> | 3 | 6 | 4 | c(O | 4 | COc1cnc(OCC2CCN(c3nc(C)nc4c3cnn4C)CC2)nc1 | COc1cnc(OC2CCN(c3nc(C)nc4c3cnn4C)CC2)nc1 | c(OC |
<|startoftext|><L>C<mask_1:5>c1cnc(OC2CCN(c3nc(C)nc4c3cnn4C)CC2)nc1<mask_1:5> | 1 | 1 | 5 | O | 5 | CC(=O)c1cnc(OC2CCN(c3nc(C)nc4c3cnn4C)CC2)nc1 | COc1cnc(OC2CCN(c3nc(C)nc4c3cnn4C)CC2)nc1 | C(=O) |
<|startoftext|><L>COc1cnc(OC2CCN(c3nc(C)nc4c3c<mask_1:5>C2)nc1<mask_1:5> | 6 | 28 | 5 | nn4C)C | 5 | COc1cnc(OC2CCN(c3nc(C)nc4c3cnn4C)C2)nc1 | COc1cnc(OC2CCN(c3nc(C)nc4c3cnn4C)CC2)nc1 | nn4C) |
<|startoftext|><L>COc1cnc(OC2<mask_1:5>CCN(c3nc(C)nc4c3cnn4C)CC2)nc1<mask_1:5> | 0 | 11 | 5 | 5 | COc1cnc(OC2(C)CCCCN(c3nc(C)nc4c3cnn4C)CC2)nc1 | COc1cnc(OC2CCN(c3nc(C)nc4c3cnn4C)CC2)nc1 | (C)CC |
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<|startoftext|><L>COc1cnc(OC2CCN(c3nc(C)nc4c3c<mask_1:4>n4C)CC2)nc1<mask_1:4> | 1 | 28 | 4 | n | 4 | COc1cnc(OC2CCN(c3nc(C)nc4c3c(C)nn4C)CC2)nc1 | COc1cnc(OC2CCN(c3nc(C)nc4c3cnn4C)CC2)nc1 | (C)n |
<|startoftext|><L>COc1c<mask_1:2>nc(OC2CCN(c3nc(C)nc4c3cnn4C)CC2)nc1<mask_1:2> | 0 | 5 | 2 | 2 | COc1cccnc(OC2CCN(c3nc(C)nc4c3cnn4C)CC2)nc1 | COc1cnc(OC2CCN(c3nc(C)nc4c3cnn4C)CC2)nc1 | cc |
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<|startoftext|><L><mask_1:1>COc1cnc(OC2CCN(c3nc(C)nc4c3cnn4C)CC2)nc1<mask_1:1> | 0 | 0 | 1 | 1 | CCOc1cnc(OC2CCN(c3nc(C)nc4c3cnn4C)CC2)nc1 | COc1cnc(OC2CCN(c3nc(C)nc4c3cnn4C)CC2)nc1 | C |
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<|startoftext|><L>Cc1cc(C)n(-c2ccc(CC(=O)N<mask_1:3>=O)[C@@H]3C)cc2)n1<mask_1:3> | 7 | 24 | 3 | 3CCCNC( | 3 | Cc1cc(C)n(-c2ccc(CC(=O)N3C(=O)[C@@H]3C)cc2)n1 | Cc1cc(C)n(-c2ccc(CC(=O)N3CCCNC(=O)[C@@H]3C)cc2)n1 | 3C( |
<|startoftext|><L>Cc1cc(C)n(-c2ccc(CC(=O)N3<mask_1:2>C(=O)[C@@H]3C)cc2)n1<mask_1:2> | 4 | 25 | 2 | CCCN | 2 | Cc1cc(C)n(-c2ccc(CC(=O)N3CCC(=O)[C@@H]3C)cc2)n1 | Cc1cc(C)n(-c2ccc(CC(=O)N3CCCNC(=O)[C@@H]3C)cc2)n1 | CC |
<|startoftext|><L>C<mask_1:7>cc(C)n(-c2ccc(CC(=O)N3CCCNC(=O)[C@@H]3C)cc2)n1<mask_1:7> | 2 | 1 | 7 | c1 | 7 | CC(C)Cc1cc(C)n(-c2ccc(CC(=O)N3CCCNC(=O)[C@@H]3C)cc2)n1 | Cc1cc(C)n(-c2ccc(CC(=O)N3CCCNC(=O)[C@@H]3C)cc2)n1 | C(C)Cc1 |
<|startoftext|><L>Cc1cc(C)n(-c2ccc(CC(=O)N<mask_1:5>3CCCNC(=O)[C@@H]3C)cc2)n1<mask_1:5> | 0 | 24 | 5 | 5 | Cc1cc(C)n(-c2ccc(CC(=O)N[C@H]3CCCNC(=O)[C@@H]3C)cc2)n1 | Cc1cc(C)n(-c2ccc(CC(=O)N3CCCNC(=O)[C@@H]3C)cc2)n1 | [C@H] |
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<|startoftext|><L>Cc1cc<mask_1:2>(-c2ccc(CC(=O)N3CCCNC(=O)[C@@H]3C)cc2)n1<mask_1:2> | 4 | 5 | 2 | (C)n | 2 | Cc1cccc(-c2ccc(CC(=O)N3CCCNC(=O)[C@@H]3C)cc2)n1 | Cc1cc(C)n(-c2ccc(CC(=O)N3CCCNC(=O)[C@@H]3C)cc2)n1 | cc |
<|startoftext|><L>Cc1cc(C)n(-c2ccc(CC<mask_1:6>CCNC(=O)[C@@H]3C)cc2)n1<mask_1:6> | 7 | 19 | 6 | (=O)N3C | 6 | Cc1cc(C)n(-c2ccc(CC(=O)N3CCNC(=O)[C@@H]3C)cc2)n1 | Cc1cc(C)n(-c2ccc(CC(=O)N3CCCNC(=O)[C@@H]3C)cc2)n1 | (=O)N3 |
<|startoftext|><L>Cc1cc(C)n(-c2ccc(CC(=O)N3CCCNC(=O)<mask_1:1>[C@@H]3C)cc2)n1<mask_1:1> | 0 | 34 | 1 | 1 | Cc1cc(C)n(-c2ccc(CC(=O)N3CCCNC(=O)C[C@@H]3C)cc2)n1 | Cc1cc(C)n(-c2ccc(CC(=O)N3CCCNC(=O)[C@@H]3C)cc2)n1 | C |
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<|startoftext|><L>Cc1cc(C)<mask_1:5>n(-c2ccc(CC(=O)N3CCCNC(=O)[C@@H]3C)cc2)n1<mask_1:5> | 0 | 8 | 5 | 5 | Cc1cc(C)c(=O)n(-c2ccc(CC(=O)N3CCCNC(=O)[C@@H]3C)cc2)n1 | Cc1cc(C)n(-c2ccc(CC(=O)N3CCCNC(=O)[C@@H]3C)cc2)n1 | c(=O) |
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<|startoftext|><L>Cc1cc(C)n(-c2ccc(<mask_1:6>(=O)N3CCCNC(=O)[C@@H]3C)cc2)n1<mask_1:6> | 2 | 17 | 6 | CC | 6 | Cc1cc(C)n(-c2ccc(/C=C/C(=O)N3CCCNC(=O)[C@@H]3C)cc2)n1 | Cc1cc(C)n(-c2ccc(CC(=O)N3CCCNC(=O)[C@@H]3C)cc2)n1 | /C=C/C |
<|startoftext|><L>Cc1cc(C)n(-c2ccc(CC(=O)N3CCC<mask_1:6>=O)[C@@H]3C)cc2)n1<mask_1:6> | 3 | 28 | 6 | NC( | 6 | Cc1cc(C)n(-c2ccc(CC(=O)N3CCCN(C)C(=O)[C@@H]3C)cc2)n1 | Cc1cc(C)n(-c2ccc(CC(=O)N3CCCNC(=O)[C@@H]3C)cc2)n1 | N(C)C( |
<|startoftext|><L>Cc1cc2c[nH]<mask_1:5>nc2cc1[C@H]1NCCC[C@@H]1N<mask_1:5> | 0 | 11 | 5 | 5 | Cc1cc2c[nH]c(=N)nc2cc1[C@H]1NCCC[C@@H]1N | Cc1cc2c[nH]nc2cc1[C@H]1NCCC[C@@H]1N | c(=N) |
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<|startoftext|><L>Cc1cc2c[nH]nc2cc1[C@H]1NCC<mask_1:5>C@@H]1N<mask_1:5> | 2 | 26 | 5 | C[ | 5 | Cc1cc2c[nH]nc2cc1[C@H]1NCCN(C)[C@@H]1N | Cc1cc2c[nH]nc2cc1[C@H]1NCCC[C@@H]1N | N(C)[ |
<|startoftext|><L>Cc1cc2c[nH]nc2cc1[C@H]<mask_1:2>C[C@@H]1N<mask_1:2> | 4 | 22 | 2 | 1NCC | 2 | Cc1cc2c[nH]nc2cc1[C@H]1NC[C@@H]1N | Cc1cc2c[nH]nc2cc1[C@H]1NCCC[C@@H]1N | 1N |
<|startoftext|><L>Cc1cc2c[nH]nc2cc1[C@H]<mask_1:1>C[C@@H]1N<mask_1:1> | 4 | 22 | 1 | 1NCC | 1 | Cc1cc2c[nH]nc2cc1[C@H]1C[C@@H]1N | Cc1cc2c[nH]nc2cc1[C@H]1NCCC[C@@H]1N | 1 |
<|startoftext|><L>Cc1c<mask_1:5>c[nH]nc2cc1[C@H]1NCCC[C@@H]1N<mask_1:5> | 2 | 4 | 5 | c2 | 5 | Cc1c(C)c2c[nH]nc2cc1[C@H]1NCCC[C@@H]1N | Cc1cc2c[nH]nc2cc1[C@H]1NCCC[C@@H]1N | (C)c2 |
<|startoftext|><L>Cc1cc2c[nH]nc2cc1[C@H]1NCCC<mask_1:2>[C@@H]1N<mask_1:2> | 0 | 27 | 2 | 2 | Cc1cc2c[nH]nc2cc1[C@H]1NCCCCC[C@@H]1N | Cc1cc2c[nH]nc2cc1[C@H]1NCCC[C@@H]1N | CC |
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<|startoftext|><L>Cc1cc2c[nH]nc2cc1[C@H]1NC<mask_1:2>C@@H]1N<mask_1:2> | 3 | 25 | 2 | CC[ | 2 | Cc1cc2c[nH]nc2cc1[C@H]1NCC[C@@H]1N | Cc1cc2c[nH]nc2cc1[C@H]1NCCC[C@@H]1N | C[ |
<|startoftext|><L>Cc<mask_1:3>[nH]nc2cc1[C@H]1NCCC[C@@H]1N<mask_1:3> | 5 | 2 | 3 | 1cc2c | 3 | Cc1c2[nH]nc2cc1[C@H]1NCCC[C@@H]1N | Cc1cc2c[nH]nc2cc1[C@H]1NCCC[C@@H]1N | 1c2 |
<|startoftext|><L>Cc1cc2c[nH]nc2cc1[C@H]1N<mask_1:1>C[C@@H]1N<mask_1:1> | 2 | 24 | 1 | CC | 1 | Cc1cc2c[nH]nc2cc1[C@H]1NCC[C@@H]1N | Cc1cc2c[nH]nc2cc1[C@H]1NCCC[C@@H]1N | C |
<|startoftext|><L>Cc1cc2c[nH]nc2cc1[C<mask_1:1>1NCCC[C@@H]1N<mask_1:1> | 3 | 19 | 1 | @H] | 1 | Cc1cc2c[nH]nc2cc1[C]1NCCC[C@@H]1N | Cc1cc2c[nH]nc2cc1[C@H]1NCCC[C@@H]1N | ] |
<|startoftext|><L>O=C1CCC[C@@H]2CN(c3nnnn3C<mask_1:5>cc(C(F)(F)F)cc3)C[C@H]2N1<mask_1:5> | 3 | 25 | 5 | c3c | 5 | O=C1CCC[C@@H]2CN(c3nnnn3CCCc3ccc(C(F)(F)F)cc3)C[C@H]2N1 | O=C1CCC[C@@H]2CN(c3nnnn3Cc3ccc(C(F)(F)F)cc3)C[C@H]2N1 | CCc3c |
<|startoftext|><L>O=C1CCC[C@@H]2CN(c3nnnn3<mask_1:3>3ccc(C(F)(F)F)cc3)C[C@H]2N1<mask_1:3> | 2 | 24 | 3 | Cc | 3 | O=C1CCC[C@@H]2CN(c3nnnn3CCc3ccc(C(F)(F)F)cc3)C[C@H]2N1 | O=C1CCC[C@@H]2CN(c3nnnn3Cc3ccc(C(F)(F)F)cc3)C[C@H]2N1 | CCc |
<|startoftext|><L>O=C1CCC[C@@H]2CN(c3nnnn3Cc3ccc(C(F)(F)F)cc3)C[C<mask_1:6>1<mask_1:6> | 5 | 47 | 6 | @H]2N | 6 | O=C1CCC[C@@H]2CN(c3nnnn3Cc3ccc(C(F)(F)F)cc3)C[C@@H]2N1 | O=C1CCC[C@@H]2CN(c3nnnn3Cc3ccc(C(F)(F)F)cc3)C[C@H]2N1 | @@H]2N |
<|startoftext|><L>O=C1CCC<mask_1:5>[C@@H]2CN(c3nnnn3Cc3ccc(C(F)(F)F)cc3)C[C@H]2N1<mask_1:5> | 0 | 7 | 5 | 5 | O=C1CCC(=O)N[C@@H]2CN(c3nnnn3Cc3ccc(C(F)(F)F)cc3)C[C@H]2N1 | O=C1CCC[C@@H]2CN(c3nnnn3Cc3ccc(C(F)(F)F)cc3)C[C@H]2N1 | (=O)N |
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<|startoftext|><L>O=C1CCC[C@@H]2CN(c3nnnn3Cc3ccc(C(F)(F)F)cc3)C[<mask_1:3>H]2N1<mask_1:3> | 2 | 46 | 3 | C@ | 3 | O=C1CCC[C@@H]2CN(c3nnnn3Cc3ccc(C(F)(F)F)cc3)C[C@@H]2N1 | O=C1CCC[C@@H]2CN(c3nnnn3Cc3ccc(C(F)(F)F)cc3)C[C@H]2N1 | C@@ |
<|startoftext|><L>O=C1CCC[C@@H]2CN(c3n<mask_1:7>c3ccc(C(F)(F)F)cc3)C[C@H]2N1<mask_1:7> | 5 | 20 | 7 | nnn3C | 7 | O=C1CCC[C@@H]2CN(c3ncccc3OCc3ccc(C(F)(F)F)cc3)C[C@H]2N1 | O=C1CCC[C@@H]2CN(c3nnnn3Cc3ccc(C(F)(F)F)cc3)C[C@H]2N1 | cccc3OC |
<|startoftext|><L>O=C1CCC[C@@H]2CN(<mask_1:4>3nnnn3Cc3ccc(C(F)(F)F)cc3)C[C@H]2N1<mask_1:4> | 1 | 17 | 4 | c | 4 | O=C1CCC[C@@H]2CN(CCSc3nnnn3Cc3ccc(C(F)(F)F)cc3)C[C@H]2N1 | O=C1CCC[C@@H]2CN(c3nnnn3Cc3ccc(C(F)(F)F)cc3)C[C@H]2N1 | CCSc |
<|startoftext|><L>O=C1CCC[C@@H]2CN(c3nnnn<mask_1:4>(C(F)(F)F)cc3)C[C@H]2N1<mask_1:4> | 7 | 23 | 4 | 3Cc3ccc | 4 | O=C1CCC[C@@H]2CN(c3nnnn3c3c(C(F)(F)F)cc3)C[C@H]2N1 | O=C1CCC[C@@H]2CN(c3nnnn3Cc3ccc(C(F)(F)F)cc3)C[C@H]2N1 | 3c3c |
<|startoftext|><L>O=C1CCC[C<mask_1:1>H]2CN(c3nnnn3Cc3ccc(C(F)(F)F)cc3)C[C@H]2N1<mask_1:1> | 2 | 9 | 1 | @@ | 1 | O=C1CCC[C@H]2CN(c3nnnn3Cc3ccc(C(F)(F)F)cc3)C[C@H]2N1 | O=C1CCC[C@@H]2CN(c3nnnn3Cc3ccc(C(F)(F)F)cc3)C[C@H]2N1 | @ |
<|startoftext|><L>O=C1CCC[C@@H]2<mask_1:6>3nnnn3Cc3ccc(C(F)(F)F)cc3)C[C@H]2N1<mask_1:6> | 4 | 14 | 6 | CN(c | 6 | O=C1CCC[C@@H]2CN(CCc3nnnn3Cc3ccc(C(F)(F)F)cc3)C[C@H]2N1 | O=C1CCC[C@@H]2CN(c3nnnn3Cc3ccc(C(F)(F)F)cc3)C[C@H]2N1 | CN(CCc |
<|startoftext|><L>CC[<mask_1:2>(CO)N[C@H](C)c1ccc(Br)s1<mask_1:2> | 4 | 3 | 2 | C@H] | 2 | CC[C](CO)N[C@H](C)c1ccc(Br)s1 | CC[C@H](CO)N[C@H](C)c1ccc(Br)s1 | C] |
<|startoftext|><L>CC[C@H](CO)N[C@H](C)c1c<mask_1:4>c(Br)s1<mask_1:4> | 1 | 23 | 4 | c | 4 | CC[C@H](CO)N[C@H](C)c1cc(C)c(Br)s1 | CC[C@H](CO)N[C@H](C)c1ccc(Br)s1 | c(C) |
<|startoftext|><L>CC[C@H](<mask_1:2>CO)N[C@H](C)c1ccc(Br)s1<mask_1:2> | 0 | 8 | 2 | 2 | CC[C@H](CCCO)N[C@H](C)c1ccc(Br)s1 | CC[C@H](CO)N[C@H](C)c1ccc(Br)s1 | CC |
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<|startoftext|><L>CC[C@H](CO)N[C@H](C)<mask_1:2>c1ccc(Br)s1<mask_1:2> | 0 | 20 | 2 | 2 | CC[C@H](CO)N[C@H](C)CCc1ccc(Br)s1 | CC[C@H](CO)N[C@H](C)c1ccc(Br)s1 | CC |
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<|startoftext|><L><mask_1:4>C[C@H](CO)N[C@H](C)c1ccc(Br)s1<mask_1:4> | 1 | 0 | 4 | C | 4 | COCCC[C@H](CO)N[C@H](C)c1ccc(Br)s1 | CC[C@H](CO)N[C@H](C)c1ccc(Br)s1 | COCC |
<|startoftext|><L>CC[C@H](CO)N[C@<mask_1:3>)c1ccc(Br)s1<mask_1:3> | 4 | 15 | 3 | H](C | 3 | CC[C@H](CO)N[C@](C)c1ccc(Br)s1 | CC[C@H](CO)N[C@H](C)c1ccc(Br)s1 | ](C |
<|startoftext|><L>CC[C@H](CO)N[C@H](C)c1c<mask_1:4>(Br)s1<mask_1:4> | 2 | 23 | 4 | cc | 4 | CC[C@H](CO)N[C@H](C)c1cc(C)(Br)s1 | CC[C@H](CO)N[C@H](C)c1ccc(Br)s1 | c(C) |
<|startoftext|><L>CC[C@H<mask_1:1>O)N[C@H](C)c1ccc(Br)s1<mask_1:1> | 3 | 6 | 1 | ](C | 2 | CC[C@H](O)N[C@H](C)c1ccc(Br)s1 | CC[C@H](CO)N[C@H](C)c1ccc(Br)s1 | ]( |
<|startoftext|><L>CC[C@H](CO)N[C@H<mask_1:3>C)c1ccc(Br)s1<mask_1:3> | 2 | 16 | 3 | ]( | 3 | CC[C@H](CO)N[C@H](CC)c1ccc(Br)s1 | CC[C@H](CO)N[C@H](C)c1ccc(Br)s1 | ](C |
<|startoftext|><L>CC[C@H](CO)N[C@H](C<mask_1:4>ccc(Br)s1<mask_1:4> | 3 | 19 | 4 | )c1 | 4 | CC[C@H](CO)N[C@H](C)Cc1ccc(Br)s1 | CC[C@H](CO)N[C@H](C)c1ccc(Br)s1 | )Cc1 |
<|startoftext|><L>CC(C)(C)NC(=O)<mask_1:3>(N)CCCCC1<mask_1:3> | 4 | 14 | 3 | NCC1 | 3 | CC(C)(C)NC(=O)CC1(N)CCCCC1 | CC(C)(C)NC(=O)NCC1(N)CCCCC1 | CC1 |
<|startoftext|><L>CC(C)(C)NC(=O)NCC1<mask_1:4>)CCCCC1<mask_1:4> | 2 | 18 | 4 | (N | 4 | CC(C)(C)NC(=O)NCC1(C#N)CCCCC1 | CC(C)(C)NC(=O)NCC1(N)CCCCC1 | (C#N |
<|startoftext|><L>CC(C)(C)<mask_1:2>C(=O)NCC1(N)CCCCC1<mask_1:2> | 1 | 8 | 2 | N | 2 | CC(C)(C)CNC(=O)NCC1(N)CCCCC1 | CC(C)(C)NC(=O)NCC1(N)CCCCC1 | CN |
<|startoftext|><L>CC(C)(C)NC(=O)NCC1(N)CC<mask_1:4>CCC1<mask_1:4> | 0 | 23 | 4 | 4 | CC(C)(C)NC(=O)NCC1(N)CCN(C)CCC1 | CC(C)(C)NC(=O)NCC1(N)CCCCC1 | N(C) |
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<|startoftext|><L>CC(C)(C)N<mask_1:4>O)NCC1(N)CCCCC1<mask_1:4> | 3 | 9 | 4 | C(= | 4 | CC(C)(C)NCC(=O)NCC1(N)CCCCC1 | CC(C)(C)NC(=O)NCC1(N)CCCCC1 | CC(= |
<|startoftext|><L>CC<mask_1:1>(C)(C)NC(=O)NCC1(N)CCCCC1<mask_1:1> | 0 | 2 | 1 | 1 | CCC(C)(C)NC(=O)NCC1(N)CCCCC1 | CC(C)(C)NC(=O)NCC1(N)CCCCC1 | C |
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<|startoftext|><L>CC(C)(C)<mask_1:4>NC(=O)NCC1(N)CCCCC1<mask_1:4> | 0 | 8 | 4 | 4 | CC(C)(C)OCCCNC(=O)NCC1(N)CCCCC1 | CC(C)(C)NC(=O)NCC1(N)CCCCC1 | OCCC |
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<|startoftext|><L>CC(C)(C)NC<mask_1:4>)NCC1(N)CCCCC1<mask_1:4> | 3 | 10 | 4 | (=O | 4 | CC(C)(C)NCC(=O)NCC1(N)CCCCC1 | CC(C)(C)NC(=O)NCC1(N)CCCCC1 | C(=O |
<|startoftext|><L>CC(<mask_1:4>C)NC(=O)NCC1(N)CCCCC1<mask_1:4> | 3 | 3 | 4 | C)( | 4 | CC(C)(CC)NC(=O)NCC1(N)CCCCC1 | CC(C)(C)NC(=O)NCC1(N)CCCCC1 | C)(C |
<|startoftext|><L>CC(C)(C)NC(=O<mask_1:2>C1(N)CCCCC1<mask_1:2> | 3 | 13 | 2 | )NC | 2 | CC(C)(C)NC(=O)NC1(N)CCCCC1 | CC(C)(C)NC(=O)NCC1(N)CCCCC1 | )N |
<|startoftext|><L>Cc1cc2nc([C@H]3C<mask_1:2>CN(C[C@@H]4CCOC4)C3)cc(N)n2n1<mask_1:2> | 1 | 16 | 2 | C | 2 | Cc1cc2nc([C@H]3COCCN(C[C@@H]4CCOC4)C3)cc(N)n2n1 | Cc1cc2nc([C@H]3CCCN(C[C@@H]4CCOC4)C3)cc(N)n2n1 | OC |
<|startoftext|><L>Cc1cc2nc([C@H]3CCC<mask_1:5>C[C@@H]4CCOC4)C3)cc(N)n2n1<mask_1:5> | 2 | 18 | 5 | N( | 5 | Cc1cc2nc([C@H]3CCCN(CCNC[C@@H]4CCOC4)C3)cc(N)n2n1 | Cc1cc2nc([C@H]3CCCN(C[C@@H]4CCOC4)C3)cc(N)n2n1 | N(CCN |
<|startoftext|><L>Cc1cc2nc([C@H]3CCC<mask_1:5>[C@@H]4CCOC4)C3)cc(N)n2n1<mask_1:5> | 3 | 18 | 5 | N(C | 5 | Cc1cc2nc([C@H]3CCCN(CCO[C@@H]4CCOC4)C3)cc(N)n2n1 | Cc1cc2nc([C@H]3CCCN(C[C@@H]4CCOC4)C3)cc(N)n2n1 | N(CCO |
<|startoftext|><L>Cc1cc2nc([C@H]3CC<mask_1:4>C@@H]4CCOC4)C3)cc(N)n2n1<mask_1:4> | 5 | 17 | 4 | CN(C[ | 4 | Cc1cc2nc([C@H]3CCCN([C@@H]4CCOC4)C3)cc(N)n2n1 | Cc1cc2nc([C@H]3CCCN(C[C@@H]4CCOC4)C3)cc(N)n2n1 | CN([ |
<|startoftext|><L>Cc1cc2nc([C@H<mask_1:4>CCN(C[C@@H]4CCOC4)C3)cc(N)n2n1<mask_1:4> | 3 | 13 | 4 | ]3C | 4 | Cc1cc2nc([C@H]3CCCCN(C[C@@H]4CCOC4)C3)cc(N)n2n1 | Cc1cc2nc([C@H]3CCCN(C[C@@H]4CCOC4)C3)cc(N)n2n1 | ]3CC |
<|startoftext|><L>Cc1cc2nc([C@H]3CCCN(C[C@@<mask_1:4>OC4)C3)cc(N)n2n1<mask_1:4> | 5 | 25 | 4 | H]4CC | 4 | Cc1cc2nc([C@H]3CCCN(C[C@@H]4COC4)C3)cc(N)n2n1 | Cc1cc2nc([C@H]3CCCN(C[C@@H]4CCOC4)C3)cc(N)n2n1 | H]4C |
<|startoftext|><L>Cc1cc<mask_1:4>C@H]3CCCN(C[C@@H]4CCOC4)C3)cc(N)n2n1<mask_1:4> | 5 | 5 | 4 | 2nc([ | 5 | Cc1cc2nc([C@H]3CCCN(C[C@@H]4CCOC4)C3)cc(N)n2n1 | Cc1cc2nc([C@H]3CCCN(C[C@@H]4CCOC4)C3)cc(N)n2n1 | 2nc([ |
<|startoftext|><L>C<mask_1:2>1cc2nc([C@H]3CCCN(C[C@@H]4CCOC4)C3)cc(N)n2n1<mask_1:2> | 1 | 1 | 2 | c | 2 | CCc1cc2nc([C@H]3CCCN(C[C@@H]4CCOC4)C3)cc(N)n2n1 | Cc1cc2nc([C@H]3CCCN(C[C@@H]4CCOC4)C3)cc(N)n2n1 | Cc |
<|startoftext|><L>Cc1cc2nc(<mask_1:3>[C@H]3CCCN(C[C@@H]4CCOC4)C3)cc(N)n2n1<mask_1:3> | 0 | 9 | 3 | 3 | Cc1cc2nc(COC[C@H]3CCCN(C[C@@H]4CCOC4)C3)cc(N)n2n1 | Cc1cc2nc([C@H]3CCCN(C[C@@H]4CCOC4)C3)cc(N)n2n1 | COC |
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<|startoftext|><L>Cc1cc2nc([C<mask_1:6>CCN(C[C@@H]4CCOC4)C3)cc(N)n2n1<mask_1:6> | 5 | 11 | 6 | @H]3C | 6 | Cc1cc2nc([C@@H]3CCCN(C[C@@H]4CCOC4)C3)cc(N)n2n1 | Cc1cc2nc([C@H]3CCCN(C[C@@H]4CCOC4)C3)cc(N)n2n1 | @@H]3C |