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stringlengths 49
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| first_mask_count
int64 0
16
| first_start_index
int64 0
224
| 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
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| original_smiles
stringlengths 12
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| generated_tokens
stringlengths 0
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|---|---|---|---|---|---|---|---|---|
<|startoftext|><L>C<mask_1:1>c1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1<mask_1:1> | 6 | 1 | 1 | CN(CC) | 1 | COc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 | CCN(CC)c1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 | O |
<|startoftext|><L>CCN(CC)c1ccc(NC(=O)COc2cc(C)c(<mask_1:5>)c2)cc1<mask_1:5> | 6 | 30 | 5 | Cl)c(C | 5 | CCN(CC)c1ccc(NC(=O)COc2cc(C)c(C)c(C)c2)cc1 | CCN(CC)c1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 | C)c(C |
<|startoftext|><L>CCN(CC)c1ccc(NC(=O)CO<mask_1:6>c2cc(C)c(Cl)c(C)c2)cc1<mask_1:6> | 0 | 21 | 6 | 6 | CCN(CC)c1ccc(NC(=O)COC(=O)Nc2cc(C)c(Cl)c(C)c2)cc1 | CCN(CC)c1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 | C(=O)N |
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<|startoftext|><L>CCN(<mask_1:4>C)c1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1<mask_1:4> | 1 | 4 | 4 | C | 4 | CCN(CC#CC)c1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 | CCN(CC)c1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 | CC#C |
<|startoftext|><L>CCN(CC)<mask_1:4>cc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1<mask_1:4> | 3 | 7 | 4 | c1c | 4 | CCN(CC)Cc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 | CCN(CC)c1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 | Cc1c |
<|startoftext|><L>CCN(<mask_1:4>C)c1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1<mask_1:4> | 1 | 4 | 4 | C | 4 | CCN(C)C(C)c1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 | CCN(CC)c1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 | C)C( |
<|startoftext|><L>CCN(CC)c1ccc(NC(=O)COc<mask_1:3>cc(C)c(Cl)c(C)c2)cc1<mask_1:3> | 1 | 22 | 3 | 2 | 3 | CCN(CC)c1ccc(NC(=O)COc2cccc(C)c(Cl)c(C)c2)cc1 | CCN(CC)c1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 | 2cc |
<|startoftext|><L>CCN(CC<mask_1:4>ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1<mask_1:4> | 3 | 6 | 4 | )c1 | 4 | CCN(CC)Cc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 | CCN(CC)c1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 | )Cc1 |
<|startoftext|><L>CCN(CC)c1ccc(NC(=O)COc2cc<mask_1:3>)c(Cl)c(C)c2)cc1<mask_1:3> | 2 | 25 | 3 | (C | 3 | CCN(CC)c1ccc(NC(=O)COc2cc(Cl)c(Cl)c(C)c2)cc1 | CCN(CC)c1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 | (Cl |
<|startoftext|><L>CCN(CC)c1<mask_1:2>NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1<mask_1:2> | 4 | 9 | 2 | ccc( | 2 | CCN(CC)c1c(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 | CCN(CC)c1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 | c( |
<|startoftext|><L>Cc1ccc(-c2ccccc2CN2CCC(CNC(=O)Cn3cccn3<mask_1:4>C2)o1<mask_1:4> | 2 | 38 | 4 | )C | 4 | Cc1ccc(-c2ccccc2CN2CCC(CNC(=O)Cn3cccn3=O)CC2)o1 | Cc1ccc(-c2ccccc2CN2CCC(CNC(=O)Cn3cccn3)CC2)o1 | =O)C |
<|startoftext|><L>Cc1ccc(-c2ccccc2CN2CCC(C<mask_1:6>)Cn3cccn3)CC2)o1<mask_1:6> | 5 | 24 | 6 | NC(=O | 6 | Cc1ccc(-c2ccccc2CN2CCC(CCNC(=O)Cn3cccn3)CC2)o1 | Cc1ccc(-c2ccccc2CN2CCC(CNC(=O)Cn3cccn3)CC2)o1 | CNC(=O |
<|startoftext|><L>Cc1<mask_1:4>c2ccccc2CN2CCC(CNC(=O)Cn3cccn3)CC2)o1<mask_1:4> | 5 | 3 | 4 | ccc(- | 4 | Cc1ccc(c2ccccc2CN2CCC(CNC(=O)Cn3cccn3)CC2)o1 | Cc1ccc(-c2ccccc2CN2CCC(CNC(=O)Cn3cccn3)CC2)o1 | ccc( |
<|startoftext|><L>Cc1ccc(-c2ccccc2CN2CCC(CNC<mask_1:5>=O)Cn3cccn3)CC2)o1<mask_1:5> | 1 | 26 | 5 | ( | 5 | Cc1ccc(-c2ccccc2CN2CCC(CNCCCNC(=O)Cn3cccn3)CC2)o1 | Cc1ccc(-c2ccccc2CN2CCC(CNC(=O)Cn3cccn3)CC2)o1 | CCNC( |
<|startoftext|><L>Cc1ccc(-c2ccccc2CN2CCC(CNC(=O)Cn3cc<mask_1:5>cn3)CC2)o1<mask_1:5> | 0 | 35 | 5 | 5 | Cc1ccc(-c2ccccc2CN2CCC(CNC(=O)Cn3ccc(=O)cn3)CC2)o1 | Cc1ccc(-c2ccccc2CN2CCC(CNC(=O)Cn3cccn3)CC2)o1 | c(=O) |
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<|startoftext|><L>Cc1ccc(-c2ccccc2CN2CCC(CNC(=O)<mask_1:3>ccn3)CC2)o1<mask_1:3> | 4 | 30 | 3 | Cn3c | 3 | Cc1ccc(-c2ccccc2CN2CCC(CNC(=O)c3occn3)CC2)o1 | Cc1ccc(-c2ccccc2CN2CCC(CNC(=O)Cn3cccn3)CC2)o1 | c3o |
<|startoftext|><L>Cc1ccc(-c2ccccc2CN2CCC(CNC(=O)C<mask_1:3>3)CC2)o1<mask_1:3> | 6 | 31 | 3 | n3cccn | 3 | Cc1ccc(-c2ccccc2CN2CCC(CNC(=O)C3CC3)CC2)o1 | Cc1ccc(-c2ccccc2CN2CCC(CNC(=O)Cn3cccn3)CC2)o1 | 3CC |
<|startoftext|><L>Cc1ccc(-c2ccccc2CN2CCC(<mask_1:6>NC(=O)Cn3cccn3)CC2)o1<mask_1:6> | 1 | 23 | 6 | C | 6 | Cc1ccc(-c2ccccc2CN2CCC(CC(=O)NC(=O)Cn3cccn3)CC2)o1 | Cc1ccc(-c2ccccc2CN2CCC(CNC(=O)Cn3cccn3)CC2)o1 | CC(=O) |
<|startoftext|><L>Cc1ccc(-c<mask_1:6>cccc2CN2CCC(CNC(=O)Cn3cccn3)CC2)o1<mask_1:6> | 2 | 9 | 6 | 2c | 6 | Cc1ccc(-c2c(Cl)cccc2CN2CCC(CNC(=O)Cn3cccn3)CC2)o1 | Cc1ccc(-c2ccccc2CN2CCC(CNC(=O)Cn3cccn3)CC2)o1 | 2c(Cl) |
<|startoftext|><L>Cc1ccc(-c2c<mask_1:4>cc2CN2CCC(CNC(=O)Cn3cccn3)CC2)o1<mask_1:4> | 2 | 11 | 4 | cc | 4 | Cc1ccc(-c2c[nH]cc2CN2CCC(CNC(=O)Cn3cccn3)CC2)o1 | Cc1ccc(-c2ccccc2CN2CCC(CNC(=O)Cn3cccn3)CC2)o1 | [nH] |
<|startoftext|><L>Cc1ccc(-c2nc(=O)n(CC(=O)N3CCN(c4ccccc<mask_1:5>CC3)c3sc(C)nc23)cc1<mask_1:5> | 2 | 37 | 5 | 4) | 5 | Cc1ccc(-c2nc(=O)n(CC(=O)N3CCN(c4ccccc4C#N)CC3)c3sc(C)nc23)cc1 | Cc1ccc(-c2nc(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)c3sc(C)nc23)cc1 | 4C#N) |
<|startoftext|><L>Cc1ccc(-c2nc(=O)n(CC(=O)N3CCN(c4<mask_1:8>cc4)CC3)c3sc(C)nc23)cc1<mask_1:8> | 3 | 32 | 8 | ccc | 8 | Cc1ccc(-c2nc(=O)n(CC(=O)N3CCN(c4ccc(C#N)cc4)CC3)c3sc(C)nc23)cc1 | Cc1ccc(-c2nc(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)c3sc(C)nc23)cc1 | ccc(C#N) |
<|startoftext|><L>Cc1ccc(-c2nc(=O)n(CC(=O)N3CCN<mask_1:7>(c4ccccc4)CC3)c3sc(C)nc23)cc1<mask_1:7> | 0 | 29 | 7 | 8 | Cc1ccc(-c2nc(=O)n(CC(=O)N3CCN(C)[C@H](c4ccccc4)CC3)c3sc(C)nc23)cc1 | Cc1ccc(-c2nc(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)c3sc(C)nc23)cc1 | (C)[C@H] |
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<|startoftext|><L>Cc1ccc(-c2nc(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)c3sc(C)nc2<mask_1:7>1<mask_1:7> | 4 | 53 | 7 | 3)cc | 7 | Cc1ccc(-c2nc(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)c3sc(C)nc23)c(C)c1 | Cc1ccc(-c2nc(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)c3sc(C)nc23)cc1 | 3)c(C)c |
<|startoftext|><L>Cc1ccc(-c2nc(=O)n(<mask_1:5>O)N3CCN(c4ccccc4)CC3)c3sc(C)nc23)cc1<mask_1:5> | 4 | 18 | 5 | CC(= | 5 | Cc1ccc(-c2nc(=O)n(CCC(=O)N3CCN(c4ccccc4)CC3)c3sc(C)nc23)cc1 | Cc1ccc(-c2nc(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)c3sc(C)nc23)cc1 | CCC(= |
<|startoftext|><L>Cc1ccc(-c2nc(=O)n(CC(<mask_1:8>N3CCN(c4ccccc4)CC3)c3sc(C)nc23)cc1<mask_1:8> | 3 | 21 | 8 | =O) | 8 | Cc1ccc(-c2nc(=O)n(CC(=O)N(C)CN3CCN(c4ccccc4)CC3)c3sc(C)nc23)cc1 | Cc1ccc(-c2nc(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)c3sc(C)nc23)cc1 | =O)N(C)C |
<|startoftext|><L>Cc1ccc(-c2nc(=O)n(CC(<mask_1:8>N(c4ccccc4)CC3)c3sc(C)nc23)cc1<mask_1:8> | 7 | 21 | 8 | =O)N3CC | 8 | Cc1ccc(-c2nc(=O)n(CC(=O)NC3CCN(c4ccccc4)CC3)c3sc(C)nc23)cc1 | Cc1ccc(-c2nc(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)c3sc(C)nc23)cc1 | =O)NC3CC |
<|startoftext|><L>Cc1ccc(-c2nc(=O)<mask_1:5>C(=O)N3CCN(c4ccccc4)CC3)c3sc(C)nc23)cc1<mask_1:5> | 3 | 16 | 5 | n(C | 5 | Cc1ccc(-c2nc(=O)n(CCCC(=O)N3CCN(c4ccccc4)CC3)c3sc(C)nc23)cc1 | Cc1ccc(-c2nc(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)c3sc(C)nc23)cc1 | n(CCC |
<|startoftext|><L>Cc1ccc<mask_1:6>nc(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)c3sc(C)nc23)cc1<mask_1:6> | 4 | 6 | 6 | (-c2 | 6 | Cc1ccc(CCNc2nc(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)c3sc(C)nc23)cc1 | Cc1ccc(-c2nc(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)c3sc(C)nc23)cc1 | (CCNc2 |
<|startoftext|><L>Cc1ccc(-c2nc(=O)n(CC(=O)N3CCN(<mask_1:8>c4ccccc4)CC3)c3sc(C)nc23)cc1<mask_1:8> | 0 | 30 | 8 | 8 | Cc1ccc(-c2nc(=O)n(CC(=O)N3CCN(C/C=C/CCc4ccccc4)CC3)c3sc(C)nc23)cc1 | Cc1ccc(-c2nc(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)c3sc(C)nc23)cc1 | C/C=C/CC |
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<|startoftext|><L>NC1=C(c2nc3ccccc3s2)C(=O)CN1C<mask_1:4>1CCCCCCC1<mask_1:4> | 0 | 29 | 4 | 4 | NC1=C(c2nc3ccccc3s2)C(=O)CN1CCCCN1CCCCCCC1 | NC1=C(c2nc3ccccc3s2)C(=O)CN1C1CCCCCCC1 | CCCN |
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<|startoftext|><L>NC1=C(c2nc3ccccc<mask_1:5>C(=O)CN1C1CCCCCCC1<mask_1:5> | 4 | 16 | 5 | 3s2) | 5 | NC1=C(c2nc3ccccc3s2)NC(=O)CN1C1CCCCCCC1 | NC1=C(c2nc3ccccc3s2)C(=O)CN1C1CCCCCCC1 | 3s2)N |
<|startoftext|><L>NC1=C(c2nc3ccc<mask_1:5>3s2)C(=O)CN1C1CCCCCCC1<mask_1:5> | 2 | 14 | 5 | cc | 5 | NC1=C(c2nc3ccc(F)cc3s2)C(=O)CN1C1CCCCCCC1 | NC1=C(c2nc3ccccc3s2)C(=O)CN1C1CCCCCCC1 | (F)cc |
<|startoftext|><L>NC1=C(c2nc3ccccc3<mask_1:5>s2)C(=O)CN1C1CCCCCCC1<mask_1:5> | 0 | 17 | 5 | 5 | NC1=C(c2nc3ccccc3c(=O)s2)C(=O)CN1C1CCCCCCC1 | NC1=C(c2nc3ccccc3s2)C(=O)CN1C1CCCCCCC1 | c(=O) |
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<|startoftext|><L>NC1=C(c2nc3ccccc3s2)C(=O)CN1C1<mask_1:4>CCCCC1<mask_1:4> | 2 | 30 | 4 | CC | 4 | NC1=C(c2nc3ccccc3s2)C(=O)CN1C1(O)CCCCCC1 | NC1=C(c2nc3ccccc3s2)C(=O)CN1C1CCCCCCC1 | (O)C |
<|startoftext|><L>NC<mask_1:2>1=C(c2nc3ccccc3s2)C(=O)CN1C1CCCCCCC1<mask_1:2> | 0 | 2 | 2 | 2 | NCCC1=C(c2nc3ccccc3s2)C(=O)CN1C1CCCCCCC1 | NC1=C(c2nc3ccccc3s2)C(=O)CN1C1CCCCCCC1 | CC |
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<|startoftext|><L>NC1=C(c2nc3ccccc3s2)C<mask_1:5>)CN1C1CCCCCCC1<mask_1:5> | 3 | 21 | 5 | (=O | 5 | NC1=C(c2nc3ccccc3s2)C(C)(C)CN1C1CCCCCCC1 | NC1=C(c2nc3ccccc3s2)C(=O)CN1C1CCCCCCC1 | (C)(C |
<|startoftext|><L>NC1=C(c2nc3ccccc3s2)C(<mask_1:4>CN1C1CCCCCCC1<mask_1:4> | 3 | 22 | 4 | =O) | 4 | NC1=C(c2nc3ccccc3s2)C(=O)CCN1C1CCCCCCC1 | NC1=C(c2nc3ccccc3s2)C(=O)CN1C1CCCCCCC1 | =O)C |
<|startoftext|><L>NC1=C(c2nc3ccccc3s2)C(=O)CN1C<mask_1:1>CCC1<mask_1:1> | 5 | 29 | 1 | 1CCCC | 1 | NC1=C(c2nc3ccccc3s2)C(=O)CN1C1CCC1 | NC1=C(c2nc3ccccc3s2)C(=O)CN1C1CCCCCCC1 | 1 |
<|startoftext|><L>NC1=C(c2nc3ccccc3<mask_1:3>)C(=O)CN1C1CCCCCCC1<mask_1:3> | 2 | 17 | 3 | s2 | 3 | NC1=C(c2nc3ccccc3n2C)C(=O)CN1C1CCCCCCC1 | NC1=C(c2nc3ccccc3s2)C(=O)CN1C1CCCCCCC1 | n2C |
<|startoftext|><L>CNC(=O)c1ccccc1OCc1nnc([C@H]2<mask_1:1>CCCOC2)o1<mask_1:1> | 0 | 29 | 1 | 1 | CNC(=O)c1ccccc1OCc1nnc([C@H]2CCCCOC2)o1 | CNC(=O)c1ccccc1OCc1nnc([C@H]2CCCOC2)o1 | C |
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<|startoftext|><L>CNC(=O)c1ccccc1OCc1nn<mask_1:3>H]2CCCOC2)o1<mask_1:3> | 5 | 21 | 3 | c([C@ | 3 | CNC(=O)c1ccccc1OCc1nn([CH]2CCCOC2)o1 | CNC(=O)c1ccccc1OCc1nnc([C@H]2CCCOC2)o1 | ([C |
<|startoftext|><L>CNC(=O)<mask_1:4>cc1OCc1nnc([C@H]2CCCOC2)o1<mask_1:4> | 5 | 7 | 4 | c1ccc | 4 | CNC(=O)c1sccc1OCc1nnc([C@H]2CCCOC2)o1 | CNC(=O)c1ccccc1OCc1nnc([C@H]2CCCOC2)o1 | c1sc |
<|startoftext|><L>CNC(=O)c1ccccc1OC<mask_1:1>nc([C@H]2CCCOC2)o1<mask_1:1> | 3 | 17 | 1 | c1n | 1 | CNC(=O)c1ccccc1OC1nc([C@H]2CCCOC2)o1 | CNC(=O)c1ccccc1OCc1nnc([C@H]2CCCOC2)o1 | 1 |
<|startoftext|><L>CNC(=O)c1ccccc1OCc1nnc([C@H]<mask_1:3>CCCOC2)o1<mask_1:3> | 1 | 28 | 3 | 2 | 3 | CNC(=O)c1ccccc1OCc1nnc([C@H]2CCCCCOC2)o1 | CNC(=O)c1ccccc1OCc1nnc([C@H]2CCCOC2)o1 | 2CC |
<|startoftext|><L><mask_1:2>NC(=O)c1ccccc1OCc1nnc([C@H]2CCCOC2)o1<mask_1:2> | 1 | 0 | 2 | C | 2 | CONC(=O)c1ccccc1OCc1nnc([C@H]2CCCOC2)o1 | CNC(=O)c1ccccc1OCc1nnc([C@H]2CCCOC2)o1 | CO |
<|startoftext|><L>CN<mask_1:2>)c1ccccc1OCc1nnc([C@H]2CCCOC2)o1<mask_1:2> | 4 | 2 | 2 | C(=O | 2 | CN(C)c1ccccc1OCc1nnc([C@H]2CCCOC2)o1 | CNC(=O)c1ccccc1OCc1nnc([C@H]2CCCOC2)o1 | (C |
<|startoftext|><L>CNC<mask_1:2>)c1ccccc1OCc1nnc([C@H]2CCCOC2)o1<mask_1:2> | 3 | 3 | 2 | (=O | 2 | CNC(C)c1ccccc1OCc1nnc([C@H]2CCCOC2)o1 | CNC(=O)c1ccccc1OCc1nnc([C@H]2CCCOC2)o1 | (C |
<|startoftext|><L>CNC(=O)c1ccccc1OCc1nnc([C@H]2CCCOC<mask_1:3>o1<mask_1:3> | 2 | 34 | 3 | 2) | 3 | CNC(=O)c1ccccc1OCc1nnc([C@H]2CCCOCC2)o1 | CNC(=O)c1ccccc1OCc1nnc([C@H]2CCCOC2)o1 | C2) |
<|startoftext|><L>CNC(=O)c1ccccc1OCc1nn<mask_1:1>[C@H]2CCCOC2)o1<mask_1:1> | 2 | 21 | 1 | c( | 1 | CNC(=O)c1ccccc1OCc1nn([C@H]2CCCOC2)o1 | CNC(=O)c1ccccc1OCc1nnc([C@H]2CCCOC2)o1 | ( |
<|startoftext|><L>CC(C)[C@@H](C)NC(=O)<mask_1:2>N1CCC(Cc2cccnc2)CC1<mask_1:2> | 1 | 20 | 2 | C | 2 | CC(C)[C@@H](C)NC(=O)CCN1CCC(Cc2cccnc2)CC1 | CC(C)[C@@H](C)NC(=O)CN1CCC(Cc2cccnc2)CC1 | CC |
<|startoftext|><L>CC(C)[C@@H](C)NC(=O)CN1<mask_1:2>CC(Cc2cccnc2)CC1<mask_1:2> | 1 | 23 | 2 | C | 2 | CC(C)[C@@H](C)NC(=O)CN1CCCC(Cc2cccnc2)CC1 | CC(C)[C@@H](C)NC(=O)CN1CCC(Cc2cccnc2)CC1 | CC |
<|startoftext|><L>CC(C)[C@@H<mask_1:4>C)NC(=O)CN1CCC(Cc2cccnc2)CC1<mask_1:4> | 2 | 10 | 4 | ]( | 4 | CC(C)[C@@H](COC)NC(=O)CN1CCC(Cc2cccnc2)CC1 | CC(C)[C@@H](C)NC(=O)CN1CCC(Cc2cccnc2)CC1 | ](CO |
<|startoftext|><L>CC(C)[C<mask_1:1>H](C)NC(=O)CN1CCC(Cc2cccnc2)CC1<mask_1:1> | 2 | 7 | 1 | @@ | 1 | CC(C)[C@H](C)NC(=O)CN1CCC(Cc2cccnc2)CC1 | CC(C)[C@@H](C)NC(=O)CN1CCC(Cc2cccnc2)CC1 | @ |
<|startoftext|><L>CC(C)[C@@H](<mask_1:5>)NC(=O)CN1CCC(Cc2cccnc2)CC1<mask_1:5> | 1 | 12 | 5 | C | 5 | CC(C)[C@@H](N(C)C)NC(=O)CN1CCC(Cc2cccnc2)CC1 | CC(C)[C@@H](C)NC(=O)CN1CCC(Cc2cccnc2)CC1 | N(C)C |
<|startoftext|><L>CC(C<mask_1:4>](C)NC(=O)CN1CCC(Cc2cccnc2)CC1<mask_1:4> | 6 | 4 | 4 | )[C@@H | 4 | CC(C)[C@](C)NC(=O)CN1CCC(Cc2cccnc2)CC1 | CC(C)[C@@H](C)NC(=O)CN1CCC(Cc2cccnc2)CC1 | )[C@ |
<|startoftext|><L>CC(C)[C@@H](C)N<mask_1:1>N1CCC(Cc2cccnc2)CC1<mask_1:1> | 6 | 15 | 1 | C(=O)C | 1 | CC(C)[C@@H](C)NCN1CCC(Cc2cccnc2)CC1 | CC(C)[C@@H](C)NC(=O)CN1CCC(Cc2cccnc2)CC1 | C |
<|startoftext|><L>CC(C)[C@@H](C)NC(=O)CN<mask_1:3>c2cccnc2)CC1<mask_1:3> | 6 | 22 | 3 | 1CCC(C | 3 | CC(C)[C@@H](C)NC(=O)CNC1(c2cccnc2)CC1 | CC(C)[C@@H](C)NC(=O)CN1CCC(Cc2cccnc2)CC1 | C1( |
<|startoftext|><L>CC(C)[C@@H](C)NC(=O)CN1CCC(C<mask_1:5>c2)CC1<mask_1:5> | 6 | 28 | 5 | c2cccn | 5 | CC(C)[C@@H](C)NC(=O)CN1CCC(Cn2ccnc2)CC1 | CC(C)[C@@H](C)NC(=O)CN1CCC(Cc2cccnc2)CC1 | n2ccn |
<|startoftext|><L>CC(C)[C@@H](C)NC(=O)CN1CCC(Cc2cccnc<mask_1:2>)CC1<mask_1:2> | 1 | 35 | 2 | 2 | 2 | CC(C)[C@@H](C)NC(=O)CN1CCC(Cc2cccnc2N)CC1 | CC(C)[C@@H](C)NC(=O)CN1CCC(Cc2cccnc2)CC1 | 2N |
<|startoftext|><L>O=S(=O)(NCc1ccc(-c2ccoc2)cc1)c1ccc2c(<mask_1:4>CCO2<mask_1:4> | 3 | 37 | 4 | c1) | 4 | O=S(=O)(NCc1ccc(-c2ccoc2)cc1)c1ccc2c(c1)OCCO2 | O=S(=O)(NCc1ccc(-c2ccoc2)cc1)c1ccc2c(c1)CCO2 | c1)O |
<|startoftext|><L>O=S(=O)(NC<mask_1:2>c(-c2ccoc2)cc1)c1ccc2c(c1)CCO2<mask_1:2> | 4 | 10 | 2 | c1cc | 2 | O=S(=O)(NCc1c(-c2ccoc2)cc1)c1ccc2c(c1)CCO2 | O=S(=O)(NCc1ccc(-c2ccoc2)cc1)c1ccc2c(c1)CCO2 | c1 |
<|startoftext|><L>O=S(=O)(NCc1ccc(-c2ccoc2)cc1<mask_1:5>2c(c1)CCO2<mask_1:5> | 6 | 28 | 5 | )c1ccc | 5 | O=S(=O)(NCc1ccc(-c2ccoc2)cc1)c1sc2c(c1)CCO2 | O=S(=O)(NCc1ccc(-c2ccoc2)cc1)c1ccc2c(c1)CCO2 | )c1sc |
<|startoftext|><L>O=S(=O)(NCc1ccc(-c2ccoc2<mask_1:3>cc1)c1ccc2c(c1)CCO2<mask_1:3> | 1 | 24 | 3 | ) | 3 | O=S(=O)(NCc1ccc(-c2ccoc2CO)cc1)c1ccc2c(c1)CCO2 | O=S(=O)(NCc1ccc(-c2ccoc2)cc1)c1ccc2c(c1)CCO2 | CO) |
<|startoftext|><L>O=S(=O)(NCc<mask_1:1>c(-c2ccoc2)cc1)c1ccc2c(c1)CCO2<mask_1:1> | 3 | 11 | 1 | 1cc | 1 | O=S(=O)(NCc1c(-c2ccoc2)cc1)c1ccc2c(c1)CCO2 | O=S(=O)(NCc1ccc(-c2ccoc2)cc1)c1ccc2c(c1)CCO2 | 1 |
<|startoftext|><L>O=S(=O)(NC<mask_1:3>ccc(-c2ccoc2)cc1)c1ccc2c(c1)CCO2<mask_1:3> | 2 | 10 | 3 | c1 | 3 | O=S(=O)(NCCc1ccc(-c2ccoc2)cc1)c1ccc2c(c1)CCO2 | O=S(=O)(NCc1ccc(-c2ccoc2)cc1)c1ccc2c(c1)CCO2 | Cc1 |
<|startoftext|><L>O=S(=O)(NCc1ccc(-c2<mask_1:2>2)cc1)c1ccc2c(c1)CCO2<mask_1:2> | 4 | 19 | 2 | ccoc | 2 | O=S(=O)(NCc1ccc(-c2cs2)cc1)c1ccc2c(c1)CCO2 | O=S(=O)(NCc1ccc(-c2ccoc2)cc1)c1ccc2c(c1)CCO2 | cs |
<|startoftext|><L>O=S(<mask_1:5>c1ccc(-c2ccoc2)cc1)c1ccc2c(c1)CCO2<mask_1:5> | 6 | 4 | 5 | =O)(NC | 5 | O=S(=O)(Nc1ccc(-c2ccoc2)cc1)c1ccc2c(c1)CCO2 | O=S(=O)(NCc1ccc(-c2ccoc2)cc1)c1ccc2c(c1)CCO2 | =O)(N |
<|startoftext|><L>O=S(=<mask_1:6>Cc1ccc(-c2ccoc2)cc1)c1ccc2c(c1)CCO2<mask_1:6> | 4 | 5 | 6 | O)(N | 6 | O=S(=O)(NCCCc1ccc(-c2ccoc2)cc1)c1ccc2c(c1)CCO2 | O=S(=O)(NCc1ccc(-c2ccoc2)cc1)c1ccc2c(c1)CCO2 | O)(NCC |
<|startoftext|><L>O=S(=O)(NC<mask_1:4>1ccc(-c2ccoc2)cc1)c1ccc2c(c1)CCO2<mask_1:4> | 1 | 10 | 4 | c | 4 | O=S(=O)(NCCCOc1ccc(-c2ccoc2)cc1)c1ccc2c(c1)CCO2 | O=S(=O)(NCc1ccc(-c2ccoc2)cc1)c1ccc2c(c1)CCO2 | CCOc |
<|startoftext|><L>CN1CCC(c2ncc3c(n2)CCN(C<mask_1:1>CCc2ccccn2)C3)CC1<mask_1:1> | 5 | 23 | 1 | (=O)C | 1 | CN1CCC(c2ncc3c(n2)CCN(CCCCc2ccccn2)C3)CC1 | CN1CCC(c2ncc3c(n2)CCN(C(=O)CCCc2ccccn2)C3)CC1 | C |
<|startoftext|><L>C<mask_1:5>C(c2ncc3c(n2)CCN(C(=O)CCCc2ccccn2)C3)CC1<mask_1:5> | 4 | 1 | 5 | N1CC | 5 | CCN1CCC(c2ncc3c(n2)CCN(C(=O)CCCc2ccccn2)C3)CC1 | CN1CCC(c2ncc3c(n2)CCN(C(=O)CCCc2ccccn2)C3)CC1 | CN1CC |
<|startoftext|><L>CN1CCC(c2ncc3c(n2)CCN(C(=<mask_1:4>CCCc2ccccn2)C3)CC1<mask_1:4> | 2 | 25 | 4 | O) | 4 | CN1CCC(c2ncc3c(n2)CCN(C(=O)CCCCCc2ccccn2)C3)CC1 | CN1CCC(c2ncc3c(n2)CCN(C(=O)CCCc2ccccn2)C3)CC1 | O)CC |
<|startoftext|><L>CN1CCC(c2ncc3c(n2)CCN(C(=O)CCCc2ccc<mask_1:5>)CC1<mask_1:5> | 6 | 35 | 5 | cn2)C3 | 5 | CN1CCC(c2ncc3c(n2)CCN(C(=O)CCCc2cccs2)C3)CC1 | CN1CCC(c2ncc3c(n2)CCN(C(=O)CCCc2ccccn2)C3)CC1 | s2)C3 |
<|startoftext|><L>CN1CCC(c2ncc3c(n2)CCN(C(<mask_1:5>CCCc2ccccn2)C3)CC1<mask_1:5> | 3 | 24 | 5 | =O) | 5 | CN1CCC(c2ncc3c(n2)CCN(C(=O)CSCCCc2ccccn2)C3)CC1 | CN1CCC(c2ncc3c(n2)CCN(C(=O)CCCc2ccccn2)C3)CC1 | =O)CS |
<|startoftext|><L>CN1CCC(c2ncc3c(n2)CCN(C(=<mask_1:5>2ccccn2)C3)CC1<mask_1:5> | 6 | 25 | 5 | O)CCCc | 5 | CN1CCC(c2ncc3c(n2)CCN(C(=O)CCc2ccccn2)C3)CC1 | CN1CCC(c2ncc3c(n2)CCN(C(=O)CCCc2ccccn2)C3)CC1 | O)CCc |
<|startoftext|><L>CN1CCC(c2ncc3c(n2)<mask_1:3>CN(C(=O)CCCc2ccccn2)C3)CC1<mask_1:3> | 1 | 18 | 3 | C | 3 | CN1CCC(c2ncc3c(n2)CC=CN(C(=O)CCCc2ccccn2)C3)CC1 | CN1CCC(c2ncc3c(n2)CCN(C(=O)CCCc2ccccn2)C3)CC1 | CC= |
<|startoftext|><L>CN1CC<mask_1:4>C(c2ncc3c(n2)CCN(C(=O)CCCc2ccccn2)C3)CC1<mask_1:4> | 0 | 5 | 4 | 4 | CN1CCN(C)C(c2ncc3c(n2)CCN(C(=O)CCCc2ccccn2)C3)CC1 | CN1CCC(c2ncc3c(n2)CCN(C(=O)CCCc2ccccn2)C3)CC1 | N(C) |
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<|startoftext|><L>CN1CCC(c2ncc3c(n2)CCN(C(<mask_1:5>c2ccccn2)C3)CC1<mask_1:5> | 6 | 24 | 5 | =O)CCC | 5 | CN1CCC(c2ncc3c(n2)CCN(C(=O)CCc2ccccn2)C3)CC1 | CN1CCC(c2ncc3c(n2)CCN(C(=O)CCCc2ccccn2)C3)CC1 | =O)CC |
<|startoftext|><L>CN1CCC(c2ncc3c(n2)CCN(C(=O)CCCc2c<mask_1:1>cn2)C3)CC1<mask_1:1> | 2 | 33 | 1 | cc | 1 | CN1CCC(c2ncc3c(n2)CCN(C(=O)CCCc2cscn2)C3)CC1 | CN1CCC(c2ncc3c(n2)CCN(C(=O)CCCc2ccccn2)C3)CC1 | s |
<|startoftext|><L>Cc1ccc(N2C<mask_1:6>N(C(=O)c3cnn(-c4nccc(-c5ccc(C)o5)n4)c3C3CC3)CC2)cc1<mask_1:6> | 1 | 10 | 6 | C | 6 | Cc1ccc(N2CCC(=O)N(C(=O)c3cnn(-c4nccc(-c5ccc(C)o5)n4)c3C3CC3)CC2)cc1 | Cc1ccc(N2CCN(C(=O)c3cnn(-c4nccc(-c5ccc(C)o5)n4)c3C3CC3)CC2)cc1 | CC(=O) |
<|startoftext|><L>Cc1ccc(N2CCN(C(=O)c3cnn(-c4nccc(-c5ccc(C)o5)n4)c3C3<mask_1:8>C2)cc1<mask_1:8> | 5 | 51 | 8 | CC3)C | 9 | Cc1ccc(N2CCN(C(=O)c3cnn(-c4nccc(-c5ccc(C)o5)n4)c3C3CC3)CC(O)C2)cc1 | Cc1ccc(N2CCN(C(=O)c3cnn(-c4nccc(-c5ccc(C)o5)n4)c3C3CC3)CC2)cc1 | CC3)CC(O) |
<|startoftext|><L>Cc1ccc(N2CCN(<mask_1:4>n(-c4nccc(-c5ccc(C)o5)n4)c3C3CC3)CC2)cc1<mask_1:4> | 9 | 13 | 4 | C(=O)c3cn | 4 | Cc1ccc(N2CCN(c3nnn(-c4nccc(-c5ccc(C)o5)n4)c3C3CC3)CC2)cc1 | Cc1ccc(N2CCN(C(=O)c3cnn(-c4nccc(-c5ccc(C)o5)n4)c3C3CC3)CC2)cc1 | c3nn |
<|startoftext|><L>Cc1ccc(N2CCN(C(=O)c3cnn(-c4nccc(-c5ccc(C)o5)n4)c3<mask_1:9>3)CC2)cc1<mask_1:9> | 4 | 49 | 9 | C3CC | 10 | Cc1ccc(N2CCN(C(=O)c3cnn(-c4nccc(-c5ccc(C)o5)n4)c3-c3c(C)noc3)CC2)cc1 | Cc1ccc(N2CCN(C(=O)c3cnn(-c4nccc(-c5ccc(C)o5)n4)c3C3CC3)CC2)cc1 | -c3c(C)noc |
<|startoftext|><L>Cc1ccc(N2CCN(C(=O)c3cnn(-c4nccc(-c5ccc<mask_1:6>5)n4)c3C3CC3)CC2)cc1<mask_1:6> | 4 | 38 | 6 | (C)o | 6 | Cc1ccc(N2CCN(C(=O)c3cnn(-c4nccc(-c5ccc(Cl)cc5)n4)c3C3CC3)CC2)cc1 | Cc1ccc(N2CCN(C(=O)c3cnn(-c4nccc(-c5ccc(C)o5)n4)c3C3CC3)CC2)cc1 | (Cl)cc |
<|startoftext|><L>Cc1ccc(N2CCN(C(=O)c3cnn(-c4nccc(-c5ccc(C)o5)n4)c3C3CC<mask_1:3>3)CC2)cc1<mask_1:3> | 0 | 53 | 3 | 3 | Cc1ccc(N2CCN(C(=O)c3cnn(-c4nccc(-c5ccc(C)o5)n4)c3C3CCCCC3)CC2)cc1 | Cc1ccc(N2CCN(C(=O)c3cnn(-c4nccc(-c5ccc(C)o5)n4)c3C3CC3)CC2)cc1 | CCC |
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<|startoftext|><L>Cc1ccc(N2CCN(C(=O)c3cnn(-c4nccc(-c5ccc(C)o5)n4)c<mask_1:6>3C3CC3)CC2)cc1<mask_1:6> | 0 | 48 | 6 | 7 | Cc1ccc(N2CCN(C(=O)c3cnn(-c4nccc(-c5ccc(C)o5)n4)c3C3CCNC3C3CC3)CC2)cc1 | Cc1ccc(N2CCN(C(=O)c3cnn(-c4nccc(-c5ccc(C)o5)n4)c3C3CC3)CC2)cc1 | 3C3CCNC |
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<|startoftext|><L>Cc1ccc(N2CCN(C(=O)<mask_1:7>n(-c4nccc(-c5ccc(C)o5)n4)c3C3CC3)CC2)cc1<mask_1:7> | 4 | 18 | 7 | c3cn | 7 | Cc1ccc(N2CCN(C(=O)c3c(C)nn(-c4nccc(-c5ccc(C)o5)n4)c3C3CC3)CC2)cc1 | Cc1ccc(N2CCN(C(=O)c3cnn(-c4nccc(-c5ccc(C)o5)n4)c3C3CC3)CC2)cc1 | c3c(C)n |
<|startoftext|><L>Cc1ccc(N2CCN(C(=O)c3cnn(-c4nccc(-c5ccc(C)o5)n4)c3C3CC<mask_1:2>3)CC2)cc1<mask_1:2> | 0 | 53 | 2 | 2 | Cc1ccc(N2CCN(C(=O)c3cnn(-c4nccc(-c5ccc(C)o5)n4)c3C3CCCC3)CC2)cc1 | Cc1ccc(N2CCN(C(=O)c3cnn(-c4nccc(-c5ccc(C)o5)n4)c3C3CC3)CC2)cc1 | CC |
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<|startoftext|><L>Cc1ccc(N2CCN(C(=O)c3cnn(-c4nc<mask_1:8>ccc(C)o5)n4)c3C3CC3)CC2)cc1<mask_1:8> | 6 | 29 | 8 | cc(-c5 | 8 | Cc1ccc(N2CCN(C(=O)c3cnn(-c4nccc(CCCc5ccc(C)o5)n4)c3C3CC3)CC2)cc1 | Cc1ccc(N2CCN(C(=O)c3cnn(-c4nccc(-c5ccc(C)o5)n4)c3C3CC3)CC2)cc1 | cc(CCCc5 |
<|startoftext|><L>CN(C)[C@H]1CCCN(c2cc<mask_1:6>O)N3CCOCC3)ccn2)C1<mask_1:6> | 4 | 20 | 6 | (C(= | 6 | CN(C)[C@H]1CCCN(c2cc(CCC(=O)N3CCOCC3)ccn2)C1 | CN(C)[C@H]1CCCN(c2cc(C(=O)N3CCOCC3)ccn2)C1 | (CCC(= |
<|startoftext|><L>CN(C)[C<mask_1:6>CCCN(c2cc(C(=O)N3CCOCC3)ccn2)C1<mask_1:6> | 4 | 7 | 6 | @H]1 | 6 | CN(C)[C@@H]1CCCCN(c2cc(C(=O)N3CCOCC3)ccn2)C1 | CN(C)[C@H]1CCCN(c2cc(C(=O)N3CCOCC3)ccn2)C1 | @@H]1C |
<|startoftext|><L>CN(C)[C@H]1CCCN(c2cc(C(=O)N3CC<mask_1:2>ccn2)C1<mask_1:2> | 5 | 30 | 2 | OCC3) | 2 | CN(C)[C@H]1CCCN(c2cc(C(=O)N3CC3)ccn2)C1 | CN(C)[C@H]1CCCN(c2cc(C(=O)N3CCOCC3)ccn2)C1 | 3) |
<|startoftext|><L>CN(C)[C@H]1CCCN(c2cc(C(=O)N<mask_1:5>COCC3)ccn2)C1<mask_1:5> | 2 | 27 | 5 | 3C | 5 | CN(C)[C@H]1CCCN(c2cc(C(=O)N(C)C3COCC3)ccn2)C1 | CN(C)[C@H]1CCCN(c2cc(C(=O)N3CCOCC3)ccn2)C1 | (C)C3 |
<|startoftext|><L>CN(C)[C@H]1CCCN(c2cc<mask_1:4>=O)N3CCOCC3)ccn2)C1<mask_1:4> | 3 | 20 | 4 | (C( | 4 | CN(C)[C@H]1CCCN(c2cc(CC(=O)N3CCOCC3)ccn2)C1 | CN(C)[C@H]1CCCN(c2cc(C(=O)N3CCOCC3)ccn2)C1 | (CC( |
<|startoftext|><L>CN(C)[C@H]1CCCN(c2cc(C(=O)N3<mask_1:5>)ccn2)C1<mask_1:5> | 6 | 28 | 5 | CCOCC3 | 5 | CN(C)[C@H]1CCCN(c2cc(C(=O)N3CCCC3)ccn2)C1 | CN(C)[C@H]1CCCN(c2cc(C(=O)N3CCOCC3)ccn2)C1 | CCCC3 |
<|startoftext|><L>CN(C)[C@H]<mask_1:1>1CCCN(c2cc(C(=O)N3CCOCC3)ccn2)C1<mask_1:1> | 0 | 10 | 1 | 1 | CN(C)[C@H]c1CCCN(c2cc(C(=O)N3CCOCC3)ccn2)C1 | CN(C)[C@H]1CCCN(c2cc(C(=O)N3CCOCC3)ccn2)C1 | c |
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<|startoftext|><L>CN(C)[C@H]1CCCN(c2cc(C(<mask_1:5>N3CCOCC3)ccn2)C1<mask_1:5> | 3 | 23 | 5 | =O) | 5 | CN(C)[C@H]1CCCN(c2cc(C(C)(C)N3CCOCC3)ccn2)C1 | CN(C)[C@H]1CCCN(c2cc(C(=O)N3CCOCC3)ccn2)C1 | C)(C) |
<|startoftext|><L>CN(C)[C@H]1CCCN(c2cc(C(=O)N3CCOCC3)c<mask_1:5>cn2)C1<mask_1:5> | 0 | 36 | 5 | 5 | CN(C)[C@H]1CCCN(c2cc(C(=O)N3CCOCC3)c(C#N)cn2)C1 | CN(C)[C@H]1CCCN(c2cc(C(=O)N3CCOCC3)ccn2)C1 | (C#N) |
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<|startoftext|><L>CN(C)[C@H]1C<mask_1:4>CN(c2cc(C(=O)N3CCOCC3)ccn2)C1<mask_1:4> | 1 | 12 | 4 | C | 4 | CN(C)[C@H]1C(=O)CN(c2cc(C(=O)N3CCOCC3)ccn2)C1 | CN(C)[C@H]1CCCN(c2cc(C(=O)N3CCOCC3)ccn2)C1 | (=O) |