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| original_smiles
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<|startoftext|><L>Fc1ccc(-c2noc(CN<mask_1:7>c4c[nH]c5ccccc45)CC3)n2)cc1<mask_1:7> | 6 | 16 | 7 | 3CC=C( | 7 | Fc1ccc(-c2noc(CN3CCN(CCc4c[nH]c5ccccc45)CC3)n2)cc1 | Fc1ccc(-c2noc(CN3CC=C(c4c[nH]c5ccccc45)CC3)n2)cc1 | 3CCN(CC |
<|startoftext|><L>Fc1ccc(-c2noc(CN3CC=C(c4c[nH]c5ccccc45<mask_1:2>CC3)n2)cc1<mask_1:2> | 1 | 38 | 2 | ) | 2 | Fc1ccc(-c2noc(CN3CC=C(c4c[nH]c5ccccc45)CCC3)n2)cc1 | Fc1ccc(-c2noc(CN3CC=C(c4c[nH]c5ccccc45)CC3)n2)cc1 | )C |
<|startoftext|><L>Fc<mask_1:7>-c2noc(CN3CC=C(c4c[nH]c5ccccc45)CC3)n2)cc1<mask_1:7> | 5 | 2 | 7 | 1ccc( | 7 | Fc1ccc(CC-c2noc(CN3CC=C(c4c[nH]c5ccccc45)CC3)n2)cc1 | Fc1ccc(-c2noc(CN3CC=C(c4c[nH]c5ccccc45)CC3)n2)cc1 | 1ccc(CC |
<|startoftext|><L>Fc1ccc(-c2noc(CN3CC=C<mask_1:3>c4c[nH]c5ccccc45)CC3)n2)cc1<mask_1:3> | 1 | 21 | 3 | ( | 3 | Fc1ccc(-c2noc(CN3CC=C(CCc4c[nH]c5ccccc45)CC3)n2)cc1 | Fc1ccc(-c2noc(CN3CC=C(c4c[nH]c5ccccc45)CC3)n2)cc1 | (CC |
<|startoftext|><L>Fc1ccc(-c2noc(CN3CC=C(c4c<mask_1:2>c5ccccc45)CC3)n2)cc1<mask_1:2> | 4 | 25 | 2 | [nH] | 2 | Fc1ccc(-c2noc(CN3CC=C(c4cccc5ccccc45)CC3)n2)cc1 | Fc1ccc(-c2noc(CN3CC=C(c4c[nH]c5ccccc45)CC3)n2)cc1 | cc |
<|startoftext|><L>Fc1ccc(-c2noc(CN3CC=C(c4c[nH]<mask_1:6>cc45)CC3)n2)cc1<mask_1:6> | 5 | 29 | 6 | c5ccc | 5 | Fc1ccc(-c2noc(CN3CC=C(c4c[nH]c5ccccc45)CC3)n2)cc1 | Fc1ccc(-c2noc(CN3CC=C(c4c[nH]c5ccccc45)CC3)n2)cc1 | c5ccc |
<|startoftext|><L>Fc1ccc<mask_1:7>(-c2noc(CN3CC=C(c4c[nH]c5ccccc45)CC3)n2)cc1<mask_1:7> | 0 | 6 | 7 | 7 | Fc1ccc(F)c(F)(-c2noc(CN3CC=C(c4c[nH]c5ccccc45)CC3)n2)cc1 | Fc1ccc(-c2noc(CN3CC=C(c4c[nH]c5ccccc45)CC3)n2)cc1 | (F)c(F) |
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<|startoftext|><L>Fc1ccc(-c2noc(CN3CC=<mask_1:4>c4c[nH]c5ccccc45)CC3)n2)cc1<mask_1:4> | 2 | 20 | 4 | C( | 4 | Fc1ccc(-c2noc(CN3CC=C(CCc4c[nH]c5ccccc45)CC3)n2)cc1 | Fc1ccc(-c2noc(CN3CC=C(c4c[nH]c5ccccc45)CC3)n2)cc1 | C(CC |
<|startoftext|><L>Fc1ccc(-c2noc(CN3CC=C(c4c[nH]c5cccc<mask_1:5>c45)CC3)n2)cc1<mask_1:5> | 0 | 35 | 5 | 5 | Fc1ccc(-c2noc(CN3CC=C(c4c[nH]c5cccc(C#N)c45)CC3)n2)cc1 | Fc1ccc(-c2noc(CN3CC=C(c4c[nH]c5ccccc45)CC3)n2)cc1 | (C#N) |
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<|startoftext|><L>Fc1ccc(-c2noc(CN3CC=C(c4c[nH]c5<mask_1:7>cc45)CC3)n2)cc1<mask_1:7> | 3 | 31 | 7 | ccc | 7 | Fc1ccc(-c2noc(CN3CC=C(c4c[nH]c5c(Cl)cccc45)CC3)n2)cc1 | Fc1ccc(-c2noc(CN3CC=C(c4c[nH]c5ccccc45)CC3)n2)cc1 | c(Cl)cc |
<|startoftext|><L>CN1CC[C@@H](C(=O)N2CCN3C[C@H](O<mask_1:7>]3C2)CC1=O<mask_1:7> | 6 | 31 | 7 | )C[C@H | 7 | CN1CC[C@@H](C(=O)N2CCN3C[C@H](O)C[C@@H]3C2)CC1=O | CN1CC[C@@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O | )C[C@@H |
<|startoftext|><L>CN1CC[C@@<mask_1:4>C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O<mask_1:4> | 3 | 9 | 4 | H]( | 4 | CN1CC[C@@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O | CN1CC[C@@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O | H](N |
<|startoftext|><L>CN1<mask_1:5>CC[C@@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O<mask_1:5> | 0 | 3 | 5 | 5 | CN1C(=O)CC[C@@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O | CN1CC[C@@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O | C(=O) |
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<|startoftext|><L>CN1CC[C@@H](C(=O)N2CCN3C<mask_1:3>@H](O)C[C@H]3C2)CC1=O<mask_1:3> | 2 | 24 | 3 | [C | 3 | CN1CC[C@@H](C(=O)N2CCN3CC[C@H](O)C[C@H]3C2)CC1=O | CN1CC[C@@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O | C[C |
<|startoftext|><L>CN1CC[C@@H](C(=O)N2CCN3C[C@H<mask_1:1>[C@H]3C2)CC1=O<mask_1:1> | 5 | 28 | 1 | ](O)C | 1 | CN1CC[C@@H](C(=O)N2CCN3C[C@H][C@H]3C2)CC1=O | CN1CC[C@@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O | ] |
<|startoftext|><L><mask_1:4>[C@@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O<mask_1:4> | 5 | 0 | 4 | CN1CC | 4 | CN1C[C@@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O | CN1CC[C@@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O | CN1C |
<|startoftext|><L>CN1CC[<mask_1:7>(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O<mask_1:7> | 5 | 6 | 7 | C@@H] | 7 | CN1CC[C@@](C)(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O | CN1CC[C@@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O | C@@](C) |
<|startoftext|><L>CN1CC[C@@H](C(=O)N2CC<mask_1:2>N3C[C@H](O)C[C@H]3C2)CC1=O<mask_1:2> | 0 | 21 | 2 | 2 | CN1CC[C@@H](C(=O)N2CCCCN3C[C@H](O)C[C@H]3C2)CC1=O | CN1CC[C@@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O | CC |
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<|startoftext|><L>CN1CC[C@@H](C(=O<mask_1:6>C[C@H](O)C[C@H]3C2)CC1=O<mask_1:6> | 7 | 16 | 6 | )N2CCN3 | 6 | CN1CC[C@@H](C(=O)N2CC3C[C@H](O)C[C@H]3C2)CC1=O | CN1CC[C@@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O | )N2CC3 |
<|startoftext|><L>CN1CC[C@@H](C(=O)N2CCN3<mask_1:6>O)C[C@H]3C2)CC1=O<mask_1:6> | 7 | 23 | 6 | C[C@H]( | 6 | CN1CC[C@@H](C(=O)N2CCN3CCNC(=O)C[C@H]3C2)CC1=O | CN1CC[C@@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O | CCNC(= |
<|startoftext|><L>O=C1NCCC[C@H]1Nc1cc(C(F)(F)F)nc(<mask_1:3>cn2)n1<mask_1:3> | 6 | 32 | 3 | -c2ccc | 3 | O=C1NCCC[C@H]1Nc1cc(C(F)(F)F)nc(-n2cn2)n1 | O=C1NCCC[C@H]1Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1 | -n2 |
<|startoftext|><L>O=C1N<mask_1:6>CCC[C@H]1Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1<mask_1:6> | 0 | 5 | 6 | 6 | O=C1NC(=O)CCCC[C@H]1Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1 | O=C1NCCC[C@H]1Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1 | C(=O)C |
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<|startoftext|><L>O=C<mask_1:4>CC[C@H]1Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1<mask_1:4> | 3 | 3 | 4 | 1NC | 4 | O=C1NCCCC[C@H]1Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1 | O=C1NCCC[C@H]1Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1 | 1NCC |
<|startoftext|><L>O<mask_1:2>C1NCCC[C@H]1Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1<mask_1:2> | 1 | 1 | 2 | = | 2 | O=CC1NCCC[C@H]1Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1 | O=C1NCCC[C@H]1Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1 | =C |
<|startoftext|><L>O=C1<mask_1:3>CCC[C@H]1Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1<mask_1:3> | 1 | 4 | 3 | N | 3 | O=C1NCCCCC[C@H]1Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1 | O=C1NCCC[C@H]1Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1 | NCC |
<|startoftext|><L>O=C1NC<mask_1:6>H]1Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1<mask_1:6> | 5 | 6 | 6 | CC[C@ | 6 | O=C1NCCC[C@@H]1Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1 | O=C1NCCC[C@H]1Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1 | CC[C@@ |
<|startoftext|><L>O=C1NCCC[C@H]1N<mask_1:3>cc(C(F)(F)F)nc(-c2ccccn2)n1<mask_1:3> | 2 | 15 | 3 | c1 | 3 | O=C1NCCC[C@H]1NCc1cc(C(F)(F)F)nc(-c2ccccn2)n1 | O=C1NCCC[C@H]1Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1 | Cc1 |
<|startoftext|><L>O=C1NCCC[C@H]1Nc<mask_1:6>(F)(F)F)nc(-c2ccccn2)n1<mask_1:6> | 5 | 16 | 6 | 1cc(C | 6 | O=C1NCCC[C@H]1Nc1cc(OC(F)(F)F)nc(-c2ccccn2)n1 | O=C1NCCC[C@H]1Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1 | 1cc(OC |
<|startoftext|><L>O=C1NCCC[C@H]1Nc1cc(C(F<mask_1:1>F)nc(-c2ccccn2)n1<mask_1:1> | 4 | 23 | 1 | )(F) | 1 | O=C1NCCC[C@H]1Nc1cc(C(F)F)nc(-c2ccccn2)n1 | O=C1NCCC[C@H]1Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1 | ) |
<|startoftext|><L>O=C1NCCC[C@H]1Nc1cc(C(F)(F)F)nc(<mask_1:2>-c2ccccn2)n1<mask_1:2> | 0 | 32 | 2 | 2 | O=C1NCCC[C@H]1Nc1cc(C(F)(F)F)nc(NC-c2ccccn2)n1 | O=C1NCCC[C@H]1Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1 | NC |
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<|startoftext|><L>O=C1[C@@H]2[C@H](C(=O)N1c1c<mask_1:5>cc3cccnc13)[C@H]1C=C[C@H]2C1<mask_1:5> | 1 | 27 | 5 | c | 5 | O=C1[C@@H]2[C@H](C(=O)N1c1cc(Br)cc3cccnc13)[C@H]1C=C[C@H]2C1 | O=C1[C@@H]2[C@H](C(=O)N1c1cccc3cccnc13)[C@H]1C=C[C@H]2C1 | c(Br) |
<|startoftext|><L>O=C1[C@<mask_1:7>[C@H](C(=O)N1c1cccc3cccnc13)[C@H]1C=C[C@H]2C1<mask_1:7> | 4 | 7 | 7 | @H]2 | 7 | O=C1[C@H]2CC=C[C@H](C(=O)N1c1cccc3cccnc13)[C@H]1C=C[C@H]2C1 | O=C1[C@@H]2[C@H](C(=O)N1c1cccc3cccnc13)[C@H]1C=C[C@H]2C1 | H]2CC=C |
<|startoftext|><L>O=C1[C@@H]2[C@H](C(=O)N1c1ccc<mask_1:4>c3cccnc13)[C@H]1C=C[C@H]2C1<mask_1:4> | 0 | 29 | 4 | 4 | O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)c3cccnc13)[C@H]1C=C[C@H]2C1 | O=C1[C@@H]2[C@H](C(=O)N1c1cccc3cccnc13)[C@H]1C=C[C@H]2C1 | (Cl) |
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<|startoftext|><L>O=C1[C@@H]2[C@H](C(=O)N1c1cccc3cccnc13)[C@H]1<mask_1:3>C@H]2C1<mask_1:3> | 4 | 45 | 3 | C=C[ | 3 | O=C1[C@@H]2[C@H](C(=O)N1c1cccc3cccnc13)[C@H]1CC[C@H]2C1 | O=C1[C@@H]2[C@H](C(=O)N1c1cccc3cccnc13)[C@H]1C=C[C@H]2C1 | CC[ |
<|startoftext|><L>O=C<mask_1:7>H]2[C@H](C(=O)N1c1cccc3cccnc13)[C@H]1C=C[C@H]2C1<mask_1:7> | 5 | 3 | 7 | 1[C@@ | 6 | O=C1C[C@@H]2[C@H](C(=O)N1c1cccc3cccnc13)[C@H]1C=C[C@H]2C1 | O=C1[C@@H]2[C@H](C(=O)N1c1cccc3cccnc13)[C@H]1C=C[C@H]2C1 | 1C[C@@ |
<|startoftext|><L>O=C1[C@@H]2[C@H](C(=O)N1c1cccc3cccnc13)[C@H]<mask_1:6>[C@H]2C1<mask_1:6> | 4 | 44 | 6 | 1C=C | 6 | O=C1[C@@H]2[C@H](C(=O)N1c1cccc3cccnc13)[C@H]1C=C=C[C@H]2C1 | O=C1[C@@H]2[C@H](C(=O)N1c1cccc3cccnc13)[C@H]1C=C[C@H]2C1 | 1C=C=C |
<|startoftext|><L>O=C1[C@@H]2[C@H](C(=O)N1<mask_1:8>c1cccc3cccnc13)[C@H]1C=C[C@H]2C1<mask_1:8> | 0 | 24 | 8 | 8 | O=C1[C@@H]2[C@H](C(=O)N1/N=C(\O)c1cccc3cccnc13)[C@H]1C=C[C@H]2C1 | O=C1[C@@H]2[C@H](C(=O)N1c1cccc3cccnc13)[C@H]1C=C[C@H]2C1 | /N=C(\O) |
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<|startoftext|><L>O=C1[C@@H]2[C<mask_1:1>(C(=O)N1c1cccc3cccnc13)[C@H]1C=C[C@H]2C1<mask_1:1> | 3 | 13 | 1 | @H] | 1 | O=C1[C@@H]2[C](C(=O)N1c1cccc3cccnc13)[C@H]1C=C[C@H]2C1 | O=C1[C@@H]2[C@H](C(=O)N1c1cccc3cccnc13)[C@H]1C=C[C@H]2C1 | ] |
<|startoftext|><L>O=C1[C@@H]2[C@H](C(=O)N1<mask_1:4>1cccc3cccnc13)[C@H]1C=C[C@H]2C1<mask_1:4> | 1 | 24 | 4 | c | 4 | O=C1[C@@H]2[C@H](C(=O)N1CCNc1cccc3cccnc13)[C@H]1C=C[C@H]2C1 | O=C1[C@@H]2[C@H](C(=O)N1c1cccc3cccnc13)[C@H]1C=C[C@H]2C1 | CCNc |
<|startoftext|><L>O=C1[C@@H<mask_1:7>[C@H](C(=O)N1c1cccc3cccnc13)[C@H]1C=C[C@H]2C1<mask_1:7> | 2 | 9 | 7 | ]2 | 7 | O=C1[C@@H]2[C@H][C@H](C(=O)N1c1cccc3cccnc13)[C@H]1C=C[C@H]2C1 | O=C1[C@@H]2[C@H](C(=O)N1c1cccc3cccnc13)[C@H]1C=C[C@H]2C1 | ]2[C@H] |
<|startoftext|><L>CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc(C3CC<mask_1:3>)nc3c2cnn3C(C)C)cc1<mask_1:3> | 1 | 38 | 3 | 3 | 3 | CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc(C3CCCC3)nc3c2cnn3C(C)C)cc1 | CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 | CC3 |
<|startoftext|><L>CCN<mask_1:2>O)(=O)c1ccc(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1<mask_1:2> | 7 | 3 | 2 | (CC)S(= | 2 | CCNS(O)(=O)c1ccc(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 | CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 | S( |
<|startoftext|><L>CCN(CC)<mask_1:5>S(=O)(=O)c1ccc(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1<mask_1:5> | 0 | 7 | 5 | 5 | CCN(CC)C(=O)S(=O)(=O)c1ccc(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 | CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 | C(=O) |
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<|startoftext|><L>CCN(CC)S(=O)(=O)c1ccc(CNC(<mask_1:5>2cc(C3CC3)nc3c2cnn3C(C)C)cc1<mask_1:5> | 4 | 26 | 5 | =O)c | 5 | CCN(CC)S(=O)(=O)c1ccc(CNC(=O)Nc2cc(C3CC3)nc3c2cnn3C(C)C)cc1 | CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 | =O)Nc |
<|startoftext|><L>CCN(CC)S(=O)(=O)c1ccc(CNC(<mask_1:8>c(C3CC3)nc3c2cnn3C(C)C)cc1<mask_1:8> | 6 | 26 | 8 | =O)c2c | 8 | CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CSc2nc(C3CC3)nc3c2cnn3C(C)C)cc1 | CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 | =O)CSc2n |
<|startoftext|><L>CCN(CC)S(=O)(=O)c1c<mask_1:6>=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1<mask_1:6> | 7 | 19 | 6 | cc(CNC( | 6 | CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 | CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 | cc(NC( |
<|startoftext|><L>CCN(CC)<mask_1:2>=O)c1ccc(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1<mask_1:2> | 6 | 7 | 2 | S(=O)( | 2 | CCN(CC)C(=O)c1ccc(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 | CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 | C( |
<|startoftext|><L>CCN(CC)S(=O)(=O)c1ccc(<mask_1:5>C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1<mask_1:5> | 2 | 22 | 5 | CN | 5 | CCN(CC)S(=O)(=O)c1ccc(CN(C)C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 | CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 | CN(C) |
<|startoftext|><L>CCN(CC)S(=O)(=O)c1ccc(CNC(<mask_1:6>O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1<mask_1:6> | 1 | 26 | 6 | = | 6 | CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 | CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 | =O)C(= |
<|startoftext|><L>CCN(CC)S(<mask_1:7>)c1ccc(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1<mask_1:7> | 6 | 9 | 7 | =O)(=O | 6 | CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 | CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 | =O)(=O |
<|startoftext|><L>Cc1cc2nc(-c3ccccc3)cc(N<mask_1:5>3CCNC3=O)n2n1<mask_1:5> | 3 | 23 | 5 | CCN | 5 | Cc1cc2nc(-c3ccccc3)cc(N[C@H]3CCNC3=O)n2n1 | Cc1cc2nc(-c3ccccc3)cc(NCCN3CCNC3=O)n2n1 | [C@H] |
<|startoftext|><L><mask_1:3>c2nc(-c3ccccc3)cc(NCCN3CCNC3=O)n2n1<mask_1:3> | 4 | 0 | 3 | Cc1c | 3 | c1cc2nc(-c3ccccc3)cc(NCCN3CCNC3=O)n2n1 | Cc1cc2nc(-c3ccccc3)cc(NCCN3CCNC3=O)n2n1 | c1c |
<|startoftext|><L>Cc1cc2nc(-c3ccccc3)c<mask_1:2>N3CCNC3=O)n2n1<mask_1:2> | 5 | 20 | 2 | c(NCC | 2 | Cc1cc2nc(-c3ccccc3)cc(N3CCNC3=O)n2n1 | Cc1cc2nc(-c3ccccc3)cc(NCCN3CCNC3=O)n2n1 | c( |
<|startoftext|><L>Cc1cc2nc(-c3ccccc3)cc(NCCN<mask_1:4>CNC3=O)n2n1<mask_1:4> | 2 | 26 | 4 | 3C | 4 | Cc1cc2nc(-c3ccccc3)cc(NCCN3CCCCNC3=O)n2n1 | Cc1cc2nc(-c3ccccc3)cc(NCCN3CCNC3=O)n2n1 | 3CCC |
<|startoftext|><L>Cc1cc2nc(-c3ccccc3)c<mask_1:3>NCCN3CCNC3=O)n2n1<mask_1:3> | 2 | 20 | 3 | c( | 3 | Cc1cc2nc(-c3ccccc3)cc(CNCCN3CCNC3=O)n2n1 | Cc1cc2nc(-c3ccccc3)cc(NCCN3CCNC3=O)n2n1 | c(C |
<|startoftext|><L>Cc1cc2<mask_1:5>c3ccccc3)cc(NCCN3CCNC3=O)n2n1<mask_1:5> | 4 | 6 | 5 | nc(- | 5 | Cc1cc2nc(COc3ccccc3)cc(NCCN3CCNC3=O)n2n1 | Cc1cc2nc(-c3ccccc3)cc(NCCN3CCNC3=O)n2n1 | nc(CO |
<|startoftext|><L>Cc1cc2nc(-c3ccccc3)cc(NCCN3CC<mask_1:3>3=O)n2n1<mask_1:3> | 2 | 29 | 3 | NC | 3 | Cc1cc2nc(-c3ccccc3)cc(NCCN3CCCCC3=O)n2n1 | Cc1cc2nc(-c3ccccc3)cc(NCCN3CCNC3=O)n2n1 | CCC |
<|startoftext|><L>Cc1cc2nc(-c3cc<mask_1:5>ccc3)cc(NCCN3CCNC3=O)n2n1<mask_1:5> | 0 | 14 | 5 | 5 | Cc1cc2nc(-c3cc(C#N)ccc3)cc(NCCN3CCNC3=O)n2n1 | Cc1cc2nc(-c3ccccc3)cc(NCCN3CCNC3=O)n2n1 | (C#N) |
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<|startoftext|><L>Cc1cc2nc(<mask_1:5>c3ccccc3)cc(NCCN3CCNC3=O)n2n1<mask_1:5> | 1 | 9 | 5 | - | 5 | Cc1cc2nc(CN(C)c3ccccc3)cc(NCCN3CCNC3=O)n2n1 | Cc1cc2nc(-c3ccccc3)cc(NCCN3CCNC3=O)n2n1 | CN(C) |
<|startoftext|><L>Cc1cc2nc(-c3ccccc3)<mask_1:3>CCN3CCNC3=O)n2n1<mask_1:3> | 4 | 19 | 3 | cc(N | 3 | Cc1cc2nc(-c3ccccc3)cc(CCN3CCNC3=O)n2n1 | Cc1cc2nc(-c3ccccc3)cc(NCCN3CCNC3=O)n2n1 | cc( |
<|startoftext|><L>O=C1O<mask_1:2>CCc1nc(-c2cc(F)ccc2F)cs1<mask_1:2> | 4 | 5 | 2 | CCN1 | 2 | O=C1ON1CCc1nc(-c2cc(F)ccc2F)cs1 | O=C1OCCN1CCc1nc(-c2cc(F)ccc2F)cs1 | N1 |
<|startoftext|><L>O=C1<mask_1:3>1CCc1nc(-c2cc(F)ccc2F)cs1<mask_1:3> | 4 | 4 | 3 | OCCN | 3 | O=C1CCN1CCc1nc(-c2cc(F)ccc2F)cs1 | O=C1OCCN1CCc1nc(-c2cc(F)ccc2F)cs1 | CCN |
<|startoftext|><L>O=C1OCCN1C<mask_1:3>c1nc(-c2cc(F)ccc2F)cs1<mask_1:3> | 1 | 10 | 3 | C | 3 | O=C1OCCN1CCCSc1nc(-c2cc(F)ccc2F)cs1 | O=C1OCCN1CCc1nc(-c2cc(F)ccc2F)cs1 | CCS |
<|startoftext|><L>O=C1<mask_1:1>CN1CCc1nc(-c2cc(F)ccc2F)cs1<mask_1:1> | 2 | 4 | 1 | OC | 1 | O=C1CCN1CCc1nc(-c2cc(F)ccc2F)cs1 | O=C1OCCN1CCc1nc(-c2cc(F)ccc2F)cs1 | C |
<|startoftext|><L>O=<mask_1:1>C1OCCN1CCc1nc(-c2cc(F)ccc2F)cs1<mask_1:1> | 0 | 2 | 1 | 1 | O=CC1OCCN1CCc1nc(-c2cc(F)ccc2F)cs1 | O=C1OCCN1CCc1nc(-c2cc(F)ccc2F)cs1 | C |
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<|startoftext|><L>O=C1OCCN1CCc1nc(-c2cc(F)ccc2<mask_1:4>cs1<mask_1:4> | 2 | 28 | 4 | F) | 4 | O=C1OCCN1CCc1nc(-c2cc(F)ccc2C#N)cs1 | O=C1OCCN1CCc1nc(-c2cc(F)ccc2F)cs1 | C#N) |
<|startoftext|><L>O=C1OCCN1C<mask_1:3>c1nc(-c2cc(F)ccc2F)cs1<mask_1:3> | 1 | 10 | 3 | C | 3 | O=C1OCCN1CCCNc1nc(-c2cc(F)ccc2F)cs1 | O=C1OCCN1CCc1nc(-c2cc(F)ccc2F)cs1 | CCN |
<|startoftext|><L>O<mask_1:3>CCN1CCc1nc(-c2cc(F)ccc2F)cs1<mask_1:3> | 4 | 1 | 3 | =C1O | 3 | O=C1CCN1CCc1nc(-c2cc(F)ccc2F)cs1 | O=C1OCCN1CCc1nc(-c2cc(F)ccc2F)cs1 | =C1 |
<|startoftext|><L>O=C<mask_1:3>CCN1CCc1nc(-c2cc(F)ccc2F)cs1<mask_1:3> | 2 | 3 | 3 | 1O | 3 | O=C1NCCCN1CCc1nc(-c2cc(F)ccc2F)cs1 | O=C1OCCN1CCc1nc(-c2cc(F)ccc2F)cs1 | 1NC |
<|startoftext|><L>O=C1OCCN1<mask_1:4>Cc1nc(-c2cc(F)ccc2F)cs1<mask_1:4> | 1 | 9 | 4 | C | 4 | O=C1OCCN1CCCSCc1nc(-c2cc(F)ccc2F)cs1 | O=C1OCCN1CCc1nc(-c2cc(F)ccc2F)cs1 | CCCS |
<|startoftext|><L>Cc1cnc(C)c(NCCOc2<mask_1:1>cnc2)n1<mask_1:1> | 2 | 17 | 1 | cc | 1 | Cc1cnc(C)c(NCCOc2scnc2)n1 | Cc1cnc(C)c(NCCOc2cccnc2)n1 | s |
<|startoftext|><L>Cc1cnc(C)c<mask_1:3>NCCOc2cccnc2)n1<mask_1:3> | 1 | 10 | 3 | ( | 3 | Cc1cnc(C)c(NCNCCOc2cccnc2)n1 | Cc1cnc(C)c(NCCOc2cccnc2)n1 | (NC |
<|startoftext|><L>Cc1cnc(C)c<mask_1:1>CCOc2cccnc2)n1<mask_1:1> | 2 | 10 | 1 | (N | 1 | Cc1cnc(C)c(CCOc2cccnc2)n1 | Cc1cnc(C)c(NCCOc2cccnc2)n1 | ( |
<|startoftext|><L>Cc1cnc(<mask_1:2>(NCCOc2cccnc2)n1<mask_1:2> | 3 | 7 | 2 | C)c | 2 | Cc1cnc(C)(NCCOc2cccnc2)n1 | Cc1cnc(C)c(NCCOc2cccnc2)n1 | C) |
<|startoftext|><L>Cc1cnc(C<mask_1:2>c(NCCOc2cccnc2)n1<mask_1:2> | 1 | 8 | 2 | ) | 2 | Cc1cnc(Cl)c(NCCOc2cccnc2)n1 | Cc1cnc(C)c(NCCOc2cccnc2)n1 | l) |
<|startoftext|><L><mask_1:2>cnc(C)c(NCCOc2cccnc2)n1<mask_1:2> | 3 | 0 | 2 | Cc1 | 2 | c1cnc(C)c(NCCOc2cccnc2)n1 | Cc1cnc(C)c(NCCOc2cccnc2)n1 | c1 |
<|startoftext|><L>Cc1cnc(C)c(NCCOc2cc<mask_1:1>c2)n1<mask_1:1> | 2 | 19 | 1 | cn | 1 | Cc1cnc(C)c(NCCOc2ccsc2)n1 | Cc1cnc(C)c(NCCOc2cccnc2)n1 | s |
<|startoftext|><L>Cc1cnc<mask_1:2>C)c(NCCOc2cccnc2)n1<mask_1:2> | 1 | 6 | 2 | ( | 2 | Cc1cnc(SC)c(NCCOc2cccnc2)n1 | Cc1cnc(C)c(NCCOc2cccnc2)n1 | (S |
<|startoftext|><L>C<mask_1:2>1cnc(C)c(NCCOc2cccnc2)n1<mask_1:2> | 1 | 1 | 2 | c | 2 | COc1cnc(C)c(NCCOc2cccnc2)n1 | Cc1cnc(C)c(NCCOc2cccnc2)n1 | Oc |
<|startoftext|><L>Cc1cnc(C)c(NCCO<mask_1:3>cccnc2)n1<mask_1:3> | 2 | 15 | 3 | c2 | 3 | Cc1cnc(C)c(NCCOCc2cccnc2)n1 | Cc1cnc(C)c(NCCOc2cccnc2)n1 | Cc2 |
<|startoftext|><L>Cc1ccc(NC(=<mask_1:3>2cccc3cccnc23)cc1C<mask_1:3> | 5 | 11 | 3 | O)COc | 3 | Cc1ccc(NC(=O)c2cccc3cccnc23)cc1C | Cc1ccc(NC(=O)COc2cccc3cccnc23)cc1C | O)c |
<|startoftext|><L>Cc1ccc(NC(<mask_1:4>COc2cccc3cccnc23)cc1C<mask_1:4> | 3 | 10 | 4 | =O) | 4 | Cc1ccc(NC(=O)CCOc2cccc3cccnc23)cc1C | Cc1ccc(NC(=O)COc2cccc3cccnc23)cc1C | =O)C |
<|startoftext|><L>Cc1ccc(NC(=O)CO<mask_1:3>cccc3cccnc23)cc1C<mask_1:3> | 2 | 15 | 3 | c2 | 3 | Cc1ccc(NC(=O)COCc2cccc3cccnc23)cc1C | Cc1ccc(NC(=O)COc2cccc3cccnc23)cc1C | Cc2 |
<|startoftext|><L>Cc1ccc(<mask_1:4>)COc2cccc3cccnc23)cc1C<mask_1:4> | 5 | 7 | 4 | NC(=O | 4 | Cc1ccc(C(=O)COc2cccc3cccnc23)cc1C | Cc1ccc(NC(=O)COc2cccc3cccnc23)cc1C | C(=O |
<|startoftext|><L>Cc1ccc(NC(=O)COc2cccc3c<mask_1:5>cnc23)cc1C<mask_1:5> | 1 | 23 | 5 | c | 5 | Cc1ccc(NC(=O)COc2cccc3cc(Cl)cnc23)cc1C | Cc1ccc(NC(=O)COc2cccc3cccnc23)cc1C | c(Cl) |
<|startoftext|><L><mask_1:2>Cc1ccc(NC(=O)COc2cccc3cccnc23)cc1C<mask_1:2> | 0 | 0 | 2 | 2 | N#Cc1ccc(NC(=O)COc2cccc3cccnc23)cc1C | Cc1ccc(NC(=O)COc2cccc3cccnc23)cc1C | N# |
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<|startoftext|><L>Cc1ccc(NC(=O)COc2cccc3cc<mask_1:5>3)cc1C<mask_1:5> | 4 | 24 | 5 | cnc2 | 5 | Cc1ccc(NC(=O)COc2cccc3cccnc2C3)cc1C | Cc1ccc(NC(=O)COc2cccc3cccnc23)cc1C | cnc2C |
<|startoftext|><L>Cc1ccc(NC(=O)CO<mask_1:2>c2cccc3cccnc23)cc1C<mask_1:2> | 0 | 15 | 2 | 2 | Cc1ccc(NC(=O)COCOc2cccc3cccnc23)cc1C | Cc1ccc(NC(=O)COc2cccc3cccnc23)cc1C | CO |
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<|startoftext|><L>Cc1ccc(N<mask_1:3>=O)COc2cccc3cccnc23)cc1C<mask_1:3> | 2 | 8 | 3 | C( | 3 | Cc1ccc(NNC(=O)COc2cccc3cccnc23)cc1C | Cc1ccc(NC(=O)COc2cccc3cccnc23)cc1C | NC( |
<|startoftext|><L>Cc1ccc(N<mask_1:1>C(=O)COc2cccc3cccnc23)cc1C<mask_1:1> | 0 | 8 | 1 | 1 | Cc1ccc(NCC(=O)COc2cccc3cccnc23)cc1C | Cc1ccc(NC(=O)COc2cccc3cccnc23)cc1C | C |
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<|startoftext|><L>CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1cc(C<mask_1:4>(C)c1<mask_1:4> | 7 | 46 | 4 | )c(Cl)c | 4 | CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1cc(Cl)cc(C)c1 | CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1cc(C)c(Cl)c(C)c1 | l)cc |
<|startoftext|><L>CC[C@H](C(=O<mask_1:2>(C)C)N(Cc1ccccc1C)C(=O)COc1cc(C)c(Cl)c(C)c1<mask_1:2> | 3 | 12 | 2 | )NC | 2 | CC[C@H](C(=O)N(C)C)N(Cc1ccccc1C)C(=O)COc1cc(C)c(Cl)c(C)c1 | CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1cc(C)c(Cl)c(C)c1 | )N |
<|startoftext|><L>CC[C@H](C(=O<mask_1:4>NC(C)C)N(Cc1ccccc1C)C(=O)COc1cc(C)c(Cl)c(C)c1<mask_1:4> | 1 | 12 | 4 | ) | 4 | CC[C@H](C(=O)NCCNC(C)C)N(Cc1ccccc1C)C(=O)COc1cc(C)c(Cl)c(C)c1 | CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1cc(C)c(Cl)c(C)c1 | )NCC |
<|startoftext|><L>CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(<mask_1:8>O)COc1cc(C)c(Cl)c(C)c1<mask_1:8> | 1 | 35 | 8 | = | 8 | CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CNC(=O)COc1cc(C)c(Cl)c(C)c1 | CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1cc(C)c(Cl)c(C)c1 | =O)CNC(= |
<|startoftext|><L>CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)C<mask_1:8>cc(C)c(Cl)c(C)c1<mask_1:8> | 3 | 39 | 8 | Oc1 | 9 | CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(C)CCOc1cc(C)c(Cl)c(C)c1 | CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1cc(C)c(Cl)c(C)c1 | N(C)CCOc1 |
<|startoftext|><L>CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(<mask_1:5>1cc(C)c(Cl)c(C)c1<mask_1:5> | 6 | 35 | 5 | =O)COc | 5 | CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1cc(C)c(Cl)c(C)c1 | CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1cc(C)c(Cl)c(C)c1 | =O)Cc |
<|startoftext|><L>CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=<mask_1:8>cc(C)c(Cl)c(C)c1<mask_1:8> | 6 | 36 | 8 | O)COc1 | 8 | CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCCOc1cc(C)c(Cl)c(C)c1 | CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1cc(C)c(Cl)c(C)c1 | O)CCCOc1 |
<|startoftext|><L>CC[C@H](C(=O)<mask_1:4>(Cc1ccccc1C)C(=O)COc1cc(C)c(Cl)c(C)c1<mask_1:4> | 8 | 13 | 4 | NC(C)C)N | 4 | CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1cc(C)c(Cl)c(C)c1 | CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1cc(C)c(Cl)c(C)c1 | NC)N |
<|startoftext|><L>CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O<mask_1:1>Oc1cc(C)c(Cl)c(C)c1<mask_1:1> | 2 | 37 | 1 | )C | 1 | CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Oc1cc(C)c(Cl)c(C)c1 | CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1cc(C)c(Cl)c(C)c1 | ) |
<|startoftext|><L>CC[C@H](C(=O)NC(C)C)N(Cc1ccccc<mask_1:2>(=O)COc1cc(C)c(Cl)c(C)c1<mask_1:2> | 4 | 30 | 2 | 1C)C | 2 | CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)(=O)COc1cc(C)c(Cl)c(C)c1 | CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1cc(C)c(Cl)c(C)c1 | 1) |