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stringlengths 47
229
| first_mask_count
int64 0
16
| first_start_index
int64 0
176
| first_mask_gen_count
int64 1
16
| first_mask_tokens
stringlengths 0
16
| first_mask_gen_count_real
int64 0
19
| generated_smiles
stringlengths 10
199
| original_smiles
stringlengths 10
192
| generated_tokens
stringlengths 0
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<|startoftext|><L>O=C(O)[C@H]1CC<mask_1:5>F)(F)C[C@H]1OCc1ccccc1<mask_1:5> | 2 | 14 | 5 | C( | 5 | O=C(O)[C@H]1CC=CCC(F)(F)C[C@H]1OCc1ccccc1 | O=C(O)[C@H]1CCC(F)(F)C[C@H]1OCc1ccccc1 | =CCC( |
<|startoftext|><L>O=C(O)[C@H]1CCC(F)(F)C[C@H]<mask_1:1>c1ccccc1<mask_1:1> | 3 | 27 | 1 | 1OC | 1 | O=C(O)[C@H]1CCC(F)(F)C[C@H]1c1ccccc1 | O=C(O)[C@H]1CCC(F)(F)C[C@H]1OCc1ccccc1 | 1 |
<|startoftext|><L>O=C(O)[C@H]1C<mask_1:5>)(F)C[C@H]1OCc1ccccc1<mask_1:5> | 4 | 13 | 5 | CC(F | 5 | O=C(O)[C@H]1CCCC(F)(F)C[C@H]1OCc1ccccc1 | O=C(O)[C@H]1CCC(F)(F)C[C@H]1OCc1ccccc1 | CCC(F |
<|startoftext|><L>O=C(O)[C@H]1CCC(F)(F)C[C@H]1OCc<mask_1:5>cccc1<mask_1:5> | 2 | 31 | 5 | 1c | 5 | O=C(O)[C@H]1CCC(F)(F)C[C@H]1OCc1c(F)cccc1 | O=C(O)[C@H]1CCC(F)(F)C[C@H]1OCc1ccccc1 | 1c(F) |
<|startoftext|><L>O=C(O)[C@H]1CCC(F)(F)C[C@H]1<mask_1:1>c1ccccc1<mask_1:1> | 2 | 28 | 1 | OC | 1 | O=C(O)[C@H]1CCC(F)(F)C[C@H]1Oc1ccccc1 | O=C(O)[C@H]1CCC(F)(F)C[C@H]1OCc1ccccc1 | O |
<|startoftext|><L>O=C(O)[C<mask_1:3>CC(F)(F)C[C@H]1OCc1ccccc1<mask_1:3> | 5 | 8 | 3 | @H]1C | 3 | O=C(O)[CH]1CC(F)(F)C[C@H]1OCc1ccccc1 | O=C(O)[C@H]1CCC(F)(F)C[C@H]1OCc1ccccc1 | H]1 |
<|startoftext|><L>O=C(O)[C@H<mask_1:2>C(F)(F)C[C@H]1OCc1ccccc1<mask_1:2> | 4 | 10 | 2 | ]1CC | 2 | O=C(O)[C@H]1C(F)(F)C[C@H]1OCc1ccccc1 | O=C(O)[C@H]1CCC(F)(F)C[C@H]1OCc1ccccc1 | ]1 |
<|startoftext|><L>O=C(<mask_1:4>H]1CCC(F)(F)C[C@H]1OCc1ccccc1<mask_1:4> | 5 | 4 | 4 | O)[C@ | 4 | O=C(O)[CH]1CCC(F)(F)C[C@H]1OCc1ccccc1 | O=C(O)[C@H]1CCC(F)(F)C[C@H]1OCc1ccccc1 | O)[C |
<|startoftext|><L>O=C(O)[C@H]1CCC(F)(F)C<mask_1:1>1OCc1ccccc1<mask_1:1> | 5 | 22 | 1 | [C@H] | 1 | O=C(O)[C@H]1CCC(F)(F)CN1OCc1ccccc1 | O=C(O)[C@H]1CCC(F)(F)C[C@H]1OCc1ccccc1 | N |
<|startoftext|><L>O=C(O)<mask_1:2>H]1CCC(F)(F)C[C@H]1OCc1ccccc1<mask_1:2> | 3 | 6 | 2 | [C@ | 2 | O=C(O)[CH]1CCC(F)(F)C[C@H]1OCc1ccccc1 | O=C(O)[C@H]1CCC(F)(F)C[C@H]1OCc1ccccc1 | [C |
<|startoftext|><L>CC(=O)N1C[C<mask_1:5>@@H]2C[C@]2(C(=O)N=c2nc(C3CC3)[nH]s2)C1<mask_1:5> | 0 | 11 | 5 | 5 | CC(=O)N1C[C@H][C@@H]2C[C@]2(C(=O)N=c2nc(C3CC3)[nH]s2)C1 | CC(=O)N1C[C@@H]2C[C@]2(C(=O)N=c2nc(C3CC3)[nH]s2)C1 | @H][C |
|
<|startoftext|><L>CC(=O)N1C[C@@H]2C[C@]<mask_1:5>=O)N=c2nc(C3CC3)[nH]s2)C1<mask_1:5> | 4 | 21 | 5 | 2(C( | 5 | CC(=O)N1C[C@@H]2C[C@]2(CC(=O)N=c2nc(C3CC3)[nH]s2)C1 | CC(=O)N1C[C@@H]2C[C@]2(C(=O)N=c2nc(C3CC3)[nH]s2)C1 | 2(CC( |
<|startoftext|><L>CC(=O)N1C[C@<mask_1:7>[C@]2(C(=O)N=c2nc(C3CC3)[nH]s2)C1<mask_1:7> | 5 | 12 | 7 | @H]2C | 7 | CC(=O)N1C[C@@H]2CCC[C@]2(C(=O)N=c2nc(C3CC3)[nH]s2)C1 | CC(=O)N1C[C@@H]2C[C@]2(C(=O)N=c2nc(C3CC3)[nH]s2)C1 | @H]2CCC |
<|startoftext|><L>CC(=O)N<mask_1:7>@H]2C[C@]2(C(=O)N=c2nc(C3CC3)[nH]s2)C1<mask_1:7> | 5 | 7 | 7 | 1C[C@ | 7 | CC(=O)N1CCC[C@@H]2C[C@]2(C(=O)N=c2nc(C3CC3)[nH]s2)C1 | CC(=O)N1C[C@@H]2C[C@]2(C(=O)N=c2nc(C3CC3)[nH]s2)C1 | 1CCC[C@ |
<|startoftext|><L>CC(=O)N1C[C@<mask_1:4>[C@]2(C(=O)N=c2nc(C3CC3)[nH]s2)C1<mask_1:4> | 5 | 12 | 4 | @H]2C | 4 | CC(=O)N1C[C@H]2C[C@]2(C(=O)N=c2nc(C3CC3)[nH]s2)C1 | CC(=O)N1C[C@@H]2C[C@]2(C(=O)N=c2nc(C3CC3)[nH]s2)C1 | H]2C |
<|startoftext|><L>CC(=O)N1C[C@<mask_1:1>2C[C@]2(C(=O)N=c2nc(C3CC3)[nH]s2)C1<mask_1:1> | 3 | 12 | 1 | @H] | 1 | CC(=O)N1C[C@]2C[C@]2(C(=O)N=c2nc(C3CC3)[nH]s2)C1 | CC(=O)N1C[C@@H]2C[C@]2(C(=O)N=c2nc(C3CC3)[nH]s2)C1 | ] |
<|startoftext|><L>CC(=O)N1C<mask_1:4>]2C[C@]2(C(=O)N=c2nc(C3CC3)[nH]s2)C1<mask_1:4> | 5 | 9 | 4 | [C@@H | 4 | CC(=O)N1C[C@H]2C[C@]2(C(=O)N=c2nc(C3CC3)[nH]s2)C1 | CC(=O)N1C[C@@H]2C[C@]2(C(=O)N=c2nc(C3CC3)[nH]s2)C1 | [C@H |
<|startoftext|><L>CC(=<mask_1:6>C[C@@H]2C[C@]2(C(=O)N=c2nc(C3CC3)[nH]s2)C1<mask_1:6> | 4 | 4 | 6 | O)N1 | 6 | CC(=O)N1CCC[C@@H]2C[C@]2(C(=O)N=c2nc(C3CC3)[nH]s2)C1 | CC(=O)N1C[C@@H]2C[C@]2(C(=O)N=c2nc(C3CC3)[nH]s2)C1 | O)N1CC |
<|startoftext|><L>CC<mask_1:4>C[C@@H]2C[C@]2(C(=O)N=c2nc(C3CC3)[nH]s2)C1<mask_1:4> | 6 | 2 | 4 | (=O)N1 | 4 | CC1(C)C[C@@H]2C[C@]2(C(=O)N=c2nc(C3CC3)[nH]s2)C1 | CC(=O)N1C[C@@H]2C[C@]2(C(=O)N=c2nc(C3CC3)[nH]s2)C1 | 1(C) |
<|startoftext|><L>CC(=O)N1C[C@@H]2C[C@]2(C(=O)N=c2nc(C3CC<mask_1:2>s2)C1<mask_1:2> | 6 | 39 | 2 | 3)[nH] | 2 | CC(=O)N1C[C@@H]2C[C@]2(C(=O)N=c2nc(C3CC3)s2)C1 | CC(=O)N1C[C@@H]2C[C@]2(C(=O)N=c2nc(C3CC3)[nH]s2)C1 | 3) |
<|startoftext|><L>CCOc1cc<mask_1:3>/C=C/C(N)=O)cc1OC<mask_1:3> | 2 | 7 | 3 | c( | 3 | CCOc1ccc(C/C=C/C(N)=O)cc1OC | CCOc1ccc(/C=C/C(N)=O)cc1OC | c(C |
<|startoftext|><L>CCOc1ccc(/C=C<mask_1:3>C(N)=O)cc1OC<mask_1:3> | 1 | 13 | 3 | / | 3 | CCOc1ccc(/C=C/NCC(N)=O)cc1OC | CCOc1ccc(/C=C/C(N)=O)cc1OC | /NC |
<|startoftext|><L>CCOc1ccc(/C=C/C(N)=O)cc<mask_1:1>C<mask_1:1> | 2 | 23 | 1 | 1O | 1 | CCOc1ccc(/C=C/C(N)=O)cc1C | CCOc1ccc(/C=C/C(N)=O)cc1OC | 1 |
<|startoftext|><L>CCOc1ccc(/C=C/C(N<mask_1:1>)cc1OC<mask_1:1> | 3 | 17 | 1 | )=O | 1 | CCOc1ccc(/C=C/C(N))cc1OC | CCOc1ccc(/C=C/C(N)=O)cc1OC | ) |
<|startoftext|><L><mask_1:3>COc1ccc(/C=C/C(N)=O)cc1OC<mask_1:3> | 1 | 0 | 3 | C | 3 | CCCCOc1ccc(/C=C/C(N)=O)cc1OC | CCOc1ccc(/C=C/C(N)=O)cc1OC | CCC |
<|startoftext|><L>C<mask_1:1>1ccc(/C=C/C(N)=O)cc1OC<mask_1:1> | 3 | 1 | 1 | COc | 1 | Cc1ccc(/C=C/C(N)=O)cc1OC | CCOc1ccc(/C=C/C(N)=O)cc1OC | c |
<|startoftext|><L>CCOc1ccc(/C=C<mask_1:2>C(N)=O)cc1OC<mask_1:2> | 1 | 13 | 2 | / | 2 | CCOc1ccc(/C=C/NC(N)=O)cc1OC | CCOc1ccc(/C=C/C(N)=O)cc1OC | /N |
<|startoftext|><L>CCOc1ccc(/C=C/C(N)=O)cc<mask_1:2>OC<mask_1:2> | 1 | 23 | 2 | 1 | 2 | CCOc1ccc(/C=C/C(N)=O)cc1COC | CCOc1ccc(/C=C/C(N)=O)cc1OC | 1C |
<|startoftext|><L>CCOc1ccc(/<mask_1:3>C/C(N)=O)cc1OC<mask_1:3> | 2 | 10 | 3 | C= | 3 | CCOc1ccc(/C=CC/C(N)=O)cc1OC | CCOc1ccc(/C=C/C(N)=O)cc1OC | C=C |
<|startoftext|><L>CCOc1ccc(/C=C<mask_1:3>C(N)=O)cc1OC<mask_1:3> | 1 | 13 | 3 | / | 3 | CCOc1ccc(/C=C/CNC(N)=O)cc1OC | CCOc1ccc(/C=C/C(N)=O)cc1OC | /CN |
<|startoftext|><L>Cc1nc(C)n(C2CN(C(=O)c3c<mask_1:3>)cc(Cl)cc3Cl)C2)n1<mask_1:3> | 2 | 23 | 3 | (O | 3 | Cc1nc(C)n(C2CN(C(=O)c3c(Cl)cc(Cl)cc3Cl)C2)n1 | Cc1nc(C)n(C2CN(C(=O)c3c(O)cc(Cl)cc3Cl)C2)n1 | (Cl |
<|startoftext|><L>Cc1nc(C)n(C2CN(C(=O)c3c(O)cc(Cl)cc3C<mask_1:2>2)n1<mask_1:2> | 3 | 36 | 2 | l)C | 2 | Cc1nc(C)n(C2CN(C(=O)c3c(O)cc(Cl)cc3C)C2)n1 | Cc1nc(C)n(C2CN(C(=O)c3c(O)cc(Cl)cc3Cl)C2)n1 | )C |
<|startoftext|><L>Cc1nc(C)n(C2CN(C(=O)c3c(O)cc(C<mask_1:2>c3Cl)C2)n1<mask_1:2> | 3 | 30 | 2 | l)c | 2 | Cc1nc(C)n(C2CN(C(=O)c3c(O)cc(C)cc3Cl)C2)n1 | Cc1nc(C)n(C2CN(C(=O)c3c(O)cc(Cl)cc3Cl)C2)n1 | )c |
<|startoftext|><L>Cc1nc(<mask_1:4>)n(C2CN(C(=O)c3c(O)cc(Cl)cc3Cl)C2)n1<mask_1:4> | 1 | 6 | 4 | C | 4 | Cc1nc(CC#N)n(C2CN(C(=O)c3c(O)cc(Cl)cc3Cl)C2)n1 | Cc1nc(C)n(C2CN(C(=O)c3c(O)cc(Cl)cc3Cl)C2)n1 | CC#N |
<|startoftext|><L>Cc1nc(C)n(C2CN(C(=O)c3<mask_1:6>c(Cl)cc3Cl)C2)n1<mask_1:6> | 5 | 22 | 6 | c(O)c | 6 | Cc1nc(C)n(C2CN(C(=O)c3cc(Cl)c(Cl)cc3Cl)C2)n1 | Cc1nc(C)n(C2CN(C(=O)c3c(O)cc(Cl)cc3Cl)C2)n1 | cc(Cl) |
<|startoftext|><L>Cc1nc(C)n(C2CN(C(=O)c3<mask_1:5>cc(Cl)cc3Cl)C2)n1<mask_1:5> | 4 | 22 | 5 | c(O) | 5 | Cc1nc(C)n(C2CN(C(=O)c3c(Cl)cc(Cl)cc3Cl)C2)n1 | Cc1nc(C)n(C2CN(C(=O)c3c(O)cc(Cl)cc3Cl)C2)n1 | c(Cl) |
<|startoftext|><L>Cc1nc(C)n(C2CN(C<mask_1:3>c(O)cc(Cl)cc3Cl)C2)n1<mask_1:3> | 6 | 16 | 3 | (=O)c3 | 3 | Cc1nc(C)n(C2CN(CCc3c(O)cc(Cl)cc3Cl)C2)n1 | Cc1nc(C)n(C2CN(C(=O)c3c(O)cc(Cl)cc3Cl)C2)n1 | Cc3 |
<|startoftext|><L>Cc1nc(C)n(C2CN(C(=O)c3c(O<mask_1:1>Cl)cc3Cl)C2)n1<mask_1:1> | 4 | 25 | 1 | )cc( | 1 | Cc1nc(C)n(C2CN(C(=O)c3c(OCCl)cc3Cl)C2)n1 | Cc1nc(C)n(C2CN(C(=O)c3c(O)cc(Cl)cc3Cl)C2)n1 | C |
<|startoftext|><L>Cc1nc(C)n(C2CN(C(=O)c3c(O)<mask_1:6>c(Cl)cc3Cl)C2)n1<mask_1:6> | 1 | 26 | 6 | c | 6 | Cc1nc(C)n(C2CN(C(=O)c3c(O)c(=O)cc(Cl)cc3Cl)C2)n1 | Cc1nc(C)n(C2CN(C(=O)c3c(O)cc(Cl)cc3Cl)C2)n1 | c(=O)c |
<|startoftext|><L>Cc1nc(C)n(C2CN(C(=O)c3<mask_1:1>(Cl)cc3Cl)C2)n1<mask_1:1> | 6 | 22 | 1 | c(O)cc | 1 | Cc1nc(C)n(C2CN(C(=O)c3c(Cl)cc3Cl)C2)n1 | Cc1nc(C)n(C2CN(C(=O)c3c(O)cc(Cl)cc3Cl)C2)n1 | c |
<|startoftext|><L>COc1ccc(N(CC(=O)<mask_1:2>CC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1<mask_1:2> | 5 | 16 | 2 | NC2CC | 2 | COc1ccc(N(CC(=O)C2CC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 | COc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 | C2 |
<|startoftext|><L>COc1ccc(N(CC<mask_1:2>NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1<mask_1:2> | 4 | 12 | 2 | (=O) | 2 | COc1ccc(N(CCCCNC2CCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 | COc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 | CC |
<|startoftext|><L>COc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2cc<mask_1:4>c2)c(OC)c1<mask_1:4> | 5 | 38 | 4 | c(C)c | 4 | COc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2cc(C)sc2)c(OC)c1 | COc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 | (C)s |
<|startoftext|><L>COc1ccc(N(CC(=O)NC2CCCC2)S<mask_1:2>)(=O)c2ccc(C)cc2)c(OC)c1<mask_1:2> | 3 | 26 | 2 | (=O | 2 | COc1ccc(N(CC(=O)NC2CCCC2)S(C)(=O)c2ccc(C)cc2)c(OC)c1 | COc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 | (C |
<|startoftext|><L>COc1ccc(N(CC(=O)NC2<mask_1:6>2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1<mask_1:6> | 4 | 19 | 6 | CCCC | 6 | COc1ccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 | COc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 | CCCCCC |
<|startoftext|><L>COc<mask_1:3>ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1<mask_1:3> | 1 | 3 | 3 | 1 | 3 | COc1ccccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 | COc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 | 1cc |
<|startoftext|><L>COc1ccc(N<mask_1:7>C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1<mask_1:7> | 2 | 9 | 7 | (C | 7 | COc1ccc(N(C(=O)CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 | COc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 | (C(=O)C |
<|startoftext|><L>COc1ccc(N(C<mask_1:7>)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1<mask_1:7> | 4 | 11 | 7 | C(=O | 7 | COc1ccc(N(CCCCC(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 | COc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 | CCCC(=O |
<|startoftext|><L>COc1ccc(N<mask_1:4>(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1<mask_1:4> | 0 | 9 | 4 | 4 | COc1ccc(N(C)N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 | COc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 | (C)N |
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<|startoftext|><L>COc1ccc(N(CC(=O)NC2CCC<mask_1:7>=O)(=O)c2ccc(C)cc2)c(OC)c1<mask_1:7> | 5 | 22 | 7 | C2)S( | 7 | COc1ccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 | COc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 | CCC2)S( |
<|startoftext|><L>CCO<mask_1:4>=O)[C@H]1CC(=O)c2cc(OC)c(OC)cc2C1<mask_1:4> | 2 | 3 | 4 | C( | 4 | CCOCNC(=O)[C@H]1CC(=O)c2cc(OC)c(OC)cc2C1 | CCOC(=O)[C@H]1CC(=O)c2cc(OC)c(OC)cc2C1 | CNC( |
<|startoftext|><L>CCOC(=O)[C@H]1C<mask_1:3>)c2cc(OC)c(OC)cc2C1<mask_1:3> | 4 | 15 | 3 | C(=O | 3 | CCOC(=O)[C@H]1C(=O)c2cc(OC)c(OC)cc2C1 | CCOC(=O)[C@H]1CC(=O)c2cc(OC)c(OC)cc2C1 | (=O |
<|startoftext|><L>CCOC(=O)[C@H]1CC(=O)c2<mask_1:5>C)c(OC)cc2C1<mask_1:5> | 4 | 22 | 5 | cc(O | 5 | CCOC(=O)[C@H]1CC(=O)c2cc(OCC)c(OC)cc2C1 | CCOC(=O)[C@H]1CC(=O)c2cc(OC)c(OC)cc2C1 | cc(OC |
<|startoftext|><L>CCOC(=O)[C@H]1CC(=O<mask_1:5>)c2cc(OC)c(OC)cc2C1<mask_1:5> | 0 | 19 | 5 | 5 | CCOC(=O)[C@H]1CC(=O)N(CC)c2cc(OC)c(OC)cc2C1 | CCOC(=O)[C@H]1CC(=O)c2cc(OC)c(OC)cc2C1 | )N(CC |
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<|startoftext|><L>CCOC(=O)[C@H]1<mask_1:5>=O)c2cc(OC)c(OC)cc2C1<mask_1:5> | 3 | 14 | 5 | CC( | 5 | CCOC(=O)[C@H]1C=CC(=O)c2cc(OC)c(OC)cc2C1 | CCOC(=O)[C@H]1CC(=O)c2cc(OC)c(OC)cc2C1 | C=CC( |
<|startoftext|><L>CCOC(=O)<mask_1:4>H]1CC(=O)c2cc(OC)c(OC)cc2C1<mask_1:4> | 3 | 8 | 4 | [C@ | 4 | CCOC(=O)[C@@H]1CC(=O)c2cc(OC)c(OC)cc2C1 | CCOC(=O)[C@H]1CC(=O)c2cc(OC)c(OC)cc2C1 | [C@@ |
<|startoftext|><L>CC<mask_1:3>OC(=O)[C@H]1CC(=O)c2cc(OC)c(OC)cc2C1<mask_1:3> | 0 | 2 | 3 | 3 | CCCCCOC(=O)[C@H]1CC(=O)c2cc(OC)c(OC)cc2C1 | CCOC(=O)[C@H]1CC(=O)c2cc(OC)c(OC)cc2C1 | CCC |
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<|startoftext|><L>CCOC(=O)[C@H]1CC(=O)c2cc(OC)c(OC)cc2<mask_1:5>C1<mask_1:5> | 0 | 36 | 5 | 5 | CCOC(=O)[C@H]1CC(=O)c2cc(OC)c(OC)cc2C(=O)C1 | CCOC(=O)[C@H]1CC(=O)c2cc(OC)c(OC)cc2C1 | C(=O) |
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<|startoftext|><L>CCOC(=O)[C<mask_1:2>C(=O)c2cc(OC)c(OC)cc2C1<mask_1:2> | 5 | 10 | 2 | @H]1C | 2 | CCOC(=O)[C]1C(=O)c2cc(OC)c(OC)cc2C1 | CCOC(=O)[C@H]1CC(=O)c2cc(OC)c(OC)cc2C1 | ]1 |
<|startoftext|><L>CCOC(=O)[C@H]1CC<mask_1:2>=O)c2cc(OC)c(OC)cc2C1<mask_1:2> | 1 | 16 | 2 | ( | 2 | CCOC(=O)[C@H]1CCC(=O)c2cc(OC)c(OC)cc2C1 | CCOC(=O)[C@H]1CC(=O)c2cc(OC)c(OC)cc2C1 | C( |
<|startoftext|><L>CCCCN<mask_1:3>1CCC[C@@H]1c1cccnc1SCC<mask_1:3> | 0 | 5 | 3 | 3 | CCCCNCCN1CCC[C@@H]1c1cccnc1SCC | CCCCN1CCC[C@@H]1c1cccnc1SCC | CCN |
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<|startoftext|><L><mask_1:2>CN1CCC[C@@H]1c1cccnc1SCC<mask_1:2> | 3 | 0 | 2 | CCC | 2 | CCCN1CCC[C@@H]1c1cccnc1SCC | CCCCN1CCC[C@@H]1c1cccnc1SCC | CC |
<|startoftext|><L>CCCCN<mask_1:3>[C@@H]1c1cccnc1SCC<mask_1:3> | 4 | 5 | 3 | 1CCC | 3 | CCCCN1CC[C@@H]1c1cccnc1SCC | CCCCN1CCC[C@@H]1c1cccnc1SCC | 1CC |
<|startoftext|><L>CCCCN1CCC[C@@H]1c1cccnc<mask_1:4>C<mask_1:4> | 3 | 23 | 4 | 1SC | 4 | CCCCN1CCC[C@@H]1c1cccnc1NCCC | CCCCN1CCC[C@@H]1c1cccnc1SCC | 1NCC |
<|startoftext|><L>CCCCN1CCC[C@@H]1c1cccn<mask_1:4>SCC<mask_1:4> | 2 | 22 | 4 | c1 | 4 | CCCCN1CCC[C@@H]1c1cccnc1CCSCC | CCCCN1CCC[C@@H]1c1cccnc1SCC | c1CC |
<|startoftext|><L>CCCCN1CCC<mask_1:4>@@H]1c1cccnc1SCC<mask_1:4> | 2 | 9 | 4 | [C | 4 | CCCCN1CCCCC[C@@H]1c1cccnc1SCC | CCCCN1CCC[C@@H]1c1cccnc1SCC | CC[C |
<|startoftext|><L>CCCCN<mask_1:4>CC[C@@H]1c1cccnc1SCC<mask_1:4> | 2 | 5 | 4 | 1C | 4 | CCCCN1CCCCC[C@@H]1c1cccnc1SCC | CCCCN1CCC[C@@H]1c1cccnc1SCC | 1CCC |
<|startoftext|><L>CCCCN1CCC[C<mask_1:1>H]1c1cccnc1SCC<mask_1:1> | 2 | 11 | 1 | @@ | 1 | CCCCN1CCC[C@H]1c1cccnc1SCC | CCCCN1CCC[C@@H]1c1cccnc1SCC | @ |
<|startoftext|><L>CCCC<mask_1:2>N1CCC[C@@H]1c1cccnc1SCC<mask_1:2> | 0 | 4 | 2 | 2 | CCCCCCN1CCC[C@@H]1c1cccnc1SCC | CCCCN1CCC[C@@H]1c1cccnc1SCC | CC |
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<|startoftext|><L>CCCCN1<mask_1:4>C[C@@H]1c1cccnc1SCC<mask_1:4> | 2 | 6 | 4 | CC | 4 | CCCCN1CCCCC[C@@H]1c1cccnc1SCC | CCCCN1CCC[C@@H]1c1cccnc1SCC | CCCC |
<|startoftext|><L>COc1ccc(CC(=O)N<mask_1:3>Cc2ccc(Cl)cc2)cc1OC<mask_1:3> | 1 | 15 | 3 | C | 3 | COc1ccc(CC(=O)N(C)Cc2ccc(Cl)cc2)cc1OC | COc1ccc(CC(=O)NCCc2ccc(Cl)cc2)cc1OC | (C) |
<|startoftext|><L>COc1ccc(CC(=O)NCCc2ccc(<mask_1:1>)cc2)cc1OC<mask_1:1> | 2 | 23 | 1 | Cl | 1 | COc1ccc(CC(=O)NCCc2ccc(F)cc2)cc1OC | COc1ccc(CC(=O)NCCc2ccc(Cl)cc2)cc1OC | F |
<|startoftext|><L>COc1ccc(CC(=O)N<mask_1:3>c2ccc(Cl)cc2)cc1OC<mask_1:3> | 2 | 15 | 3 | CC | 3 | COc1ccc(CC(=O)NCCOc2ccc(Cl)cc2)cc1OC | COc1ccc(CC(=O)NCCc2ccc(Cl)cc2)cc1OC | CCO |
<|startoftext|><L>COc1ccc(CC(=O<mask_1:2>2ccc(Cl)cc2)cc1OC<mask_1:2> | 5 | 13 | 2 | )NCCc | 2 | COc1ccc(CC(=O)c2ccc(Cl)cc2)cc1OC | COc1ccc(CC(=O)NCCc2ccc(Cl)cc2)cc1OC | )c |
<|startoftext|><L>COc1ccc(CC(=O)NCCc2ccc(Cl)cc2<mask_1:3>cc1OC<mask_1:3> | 1 | 29 | 3 | ) | 3 | COc1ccc(CC(=O)NCCc2ccc(Cl)cc2Cl)cc1OC | COc1ccc(CC(=O)NCCc2ccc(Cl)cc2)cc1OC | Cl) |
<|startoftext|><L>COc1ccc(CC<mask_1:3>=O)NCCc2ccc(Cl)cc2)cc1OC<mask_1:3> | 1 | 10 | 3 | ( | 3 | COc1ccc(CCNC(=O)NCCc2ccc(Cl)cc2)cc1OC | COc1ccc(CC(=O)NCCc2ccc(Cl)cc2)cc1OC | NC( |
<|startoftext|><L>COc1ccc(CC(=O)<mask_1:5>2ccc(Cl)cc2)cc1OC<mask_1:5> | 4 | 14 | 5 | NCCc | 5 | COc1ccc(CC(=O)OCCOc2ccc(Cl)cc2)cc1OC | COc1ccc(CC(=O)NCCc2ccc(Cl)cc2)cc1OC | OCCOc |
<|startoftext|><L><mask_1:3>cc(CC(=O)NCCc2ccc(Cl)cc2)cc1OC<mask_1:3> | 5 | 0 | 3 | COc1c | 3 | c1ccc(CC(=O)NCCc2ccc(Cl)cc2)cc1OC | COc1ccc(CC(=O)NCCc2ccc(Cl)cc2)cc1OC | c1c |
<|startoftext|><L>COc1ccc(CC(=O)NCC<mask_1:4>ccc(Cl)cc2)cc1OC<mask_1:4> | 2 | 17 | 4 | c2 | 4 | COc1ccc(CC(=O)NCCSCc2ccc(Cl)cc2)cc1OC | COc1ccc(CC(=O)NCCc2ccc(Cl)cc2)cc1OC | SCc2 |
<|startoftext|><L>COc1ccc(CC<mask_1:3>NCCc2ccc(Cl)cc2)cc1OC<mask_1:3> | 4 | 10 | 3 | (=O) | 3 | COc1ccc(CCNCCNCCc2ccc(Cl)cc2)cc1OC | COc1ccc(CC(=O)NCCc2ccc(Cl)cc2)cc1OC | NCC |
<|startoftext|><L>CNc1cc(N2CCC[C@@H]2CN[C@H](C)c2nc(C<mask_1:7>CC3)no2)ncn1<mask_1:7> | 1 | 35 | 7 | 3 | 7 | CNc1cc(N2CCC[C@@H]2CN[C@H](C)c2nc(C(=O)NC3CC3)no2)ncn1 | CNc1cc(N2CCC[C@@H]2CN[C@H](C)c2nc(C3CC3)no2)ncn1 | (=O)NC3 |
<|startoftext|><L>CNc1cc<mask_1:3>N2CCC[C@@H]2CN[C@H](C)c2nc(C3CC3)no2)ncn1<mask_1:3> | 1 | 6 | 3 | ( | 3 | CNc1cc(CCN2CCC[C@@H]2CN[C@H](C)c2nc(C3CC3)no2)ncn1 | CNc1cc(N2CCC[C@@H]2CN[C@H](C)c2nc(C3CC3)no2)ncn1 | (CC |
<|startoftext|><L>CNc1cc(N2CCC[C@@H]2CN[C@H](C)c<mask_1:6>3CC3)no2)ncn1<mask_1:6> | 5 | 30 | 6 | 2nc(C | 6 | CNc1cc(N2CCC[C@@H]2CN[C@H](C)c2nc(CC3CC3)no2)ncn1 | CNc1cc(N2CCC[C@@H]2CN[C@H](C)c2nc(C3CC3)no2)ncn1 | 2nc(CC |
<|startoftext|><L>C<mask_1:5>N2CCC[C@@H]2CN[C@H](C)c2nc(C3CC3)no2)ncn1<mask_1:5> | 6 | 1 | 5 | Nc1cc( | 5 | Cc1cc(N2CCC[C@@H]2CN[C@H](C)c2nc(C3CC3)no2)ncn1 | CNc1cc(N2CCC[C@@H]2CN[C@H](C)c2nc(C3CC3)no2)ncn1 | c1cc( |
<|startoftext|><L>C<mask_1:6>2CCC[C@@H]2CN[C@H](C)c2nc(C3CC3)no2)ncn1<mask_1:6> | 7 | 1 | 6 | Nc1cc(N | 6 | Cc1cc(N2CCC[C@@H]2CN[C@H](C)c2nc(C3CC3)no2)ncn1 | CNc1cc(N2CCC[C@@H]2CN[C@H](C)c2nc(C3CC3)no2)ncn1 | c1cc(N |
<|startoftext|><L>CNc1cc(N<mask_1:6>CC[C@@H]2CN[C@H](C)c2nc(C3CC3)no2)ncn1<mask_1:6> | 2 | 8 | 6 | 2C | 6 | CNc1cc(N[C@H]2CC[C@@H]2CN[C@H](C)c2nc(C3CC3)no2)ncn1 | CNc1cc(N2CCC[C@@H]2CN[C@H](C)c2nc(C3CC3)no2)ncn1 | [C@H]2 |
<|startoftext|><L>CNc1cc(<mask_1:7>CCC[C@@H]2CN[C@H](C)c2nc(C3CC3)no2)ncn1<mask_1:7> | 2 | 7 | 7 | N2 | 7 | CNc1cc(C(=O)N2CCC[C@@H]2CN[C@H](C)c2nc(C3CC3)no2)ncn1 | CNc1cc(N2CCC[C@@H]2CN[C@H](C)c2nc(C3CC3)no2)ncn1 | C(=O)N2 |
<|startoftext|><L>CNc1cc(N<mask_1:7>@@H]2CN[C@H](C)c2nc(C3CC3)no2)ncn1<mask_1:7> | 6 | 8 | 7 | 2CCC[C | 7 | CNc1cc(N2CCCC[C@@H]2CN[C@H](C)c2nc(C3CC3)no2)ncn1 | CNc1cc(N2CCC[C@@H]2CN[C@H](C)c2nc(C3CC3)no2)ncn1 | 2CCCC[C |
<|startoftext|><L>CNc1<mask_1:5>2CCC[C@@H]2CN[C@H](C)c2nc(C3CC3)no2)ncn1<mask_1:5> | 4 | 4 | 5 | cc(N | 5 | CNc1cc(CN2CCC[C@@H]2CN[C@H](C)c2nc(C3CC3)no2)ncn1 | CNc1cc(N2CCC[C@@H]2CN[C@H](C)c2nc(C3CC3)no2)ncn1 | cc(CN |
<|startoftext|><L>CNc1cc(N2CCC[C@@H]<mask_1:1>[C@H](C)c2nc(C3CC3)no2)ncn1<mask_1:1> | 3 | 18 | 1 | 2CN | 1 | CNc1cc(N2CCC[C@@H]2[C@H](C)c2nc(C3CC3)no2)ncn1 | CNc1cc(N2CCC[C@@H]2CN[C@H](C)c2nc(C3CC3)no2)ncn1 | 2 |
<|startoftext|><L>c1ccc(O[C<mask_1:2>CN(Cc3nnc(C4CC4)n3C3CC3)C2)cc1<mask_1:2> | 6 | 9 | 2 | @@H]2C | 2 | c1ccc(O[C]2CN(Cc3nnc(C4CC4)n3C3CC3)C2)cc1 | c1ccc(O[C@@H]2CCN(Cc3nnc(C4CC4)n3C3CC3)C2)cc1 | ]2 |
<|startoftext|><L>c1ccc(O[C@@H]2CC<mask_1:5>Cc3nnc(C4CC4)n3C3CC3)C2)cc1<mask_1:5> | 2 | 16 | 5 | N( | 5 | c1ccc(O[C@@H]2CCOCCN(Cc3nnc(C4CC4)n3C3CC3)C2)cc1 | c1ccc(O[C@@H]2CCN(Cc3nnc(C4CC4)n3C3CC3)C2)cc1 | OCCN( |
<|startoftext|><L>c1<mask_1:3>[C@@H]2CCN(Cc3nnc(C4CC4)n3C3CC3)C2)cc1<mask_1:3> | 5 | 2 | 3 | ccc(O | 3 | c1oc([C@@H]2CCN(Cc3nnc(C4CC4)n3C3CC3)C2)cc1 | c1ccc(O[C@@H]2CCN(Cc3nnc(C4CC4)n3C3CC3)C2)cc1 | oc( |
<|startoftext|><L>c1ccc(O[C@@H]2CCN(Cc3nnc(C4CC4)n3C<mask_1:4>2)cc1<mask_1:4> | 6 | 34 | 4 | 3CC3)C | 4 | c1ccc(O[C@@H]2CCN(Cc3nnc(C4CC4)n3CCO)C2)cc1 | c1ccc(O[C@@H]2CCN(Cc3nnc(C4CC4)n3C3CC3)C2)cc1 | CO)C |
<|startoftext|><L>c1ccc(O[C@@H]2CCN(<mask_1:6>c3nnc(C4CC4)n3C3CC3)C2)cc1<mask_1:6> | 1 | 18 | 6 | C | 6 | c1ccc(O[C@@H]2CCN(C(=S)Nc3nnc(C4CC4)n3C3CC3)C2)cc1 | c1ccc(O[C@@H]2CCN(Cc3nnc(C4CC4)n3C3CC3)C2)cc1 | C(=S)N |
<|startoftext|><L>c1ccc(O[C@@H]2CCN(Cc3nnc(<mask_1:4>CC4)n3C3CC3)C2)cc1<mask_1:4> | 2 | 25 | 4 | C4 | 4 | c1ccc(O[C@@H]2CCN(Cc3nnc(C4CCCC4)n3C3CC3)C2)cc1 | c1ccc(O[C@@H]2CCN(Cc3nnc(C4CC4)n3C3CC3)C2)cc1 | C4CC |
<|startoftext|><L>c1ccc(O[C@@H]2CCN(Cc3<mask_1:5>C4CC4)n3C3CC3)C2)cc1<mask_1:5> | 4 | 21 | 5 | nnc( | 5 | c1ccc(O[C@@H]2CCN(Cc3nnc(SC4CC4)n3C3CC3)C2)cc1 | c1ccc(O[C@@H]2CCN(Cc3nnc(C4CC4)n3C3CC3)C2)cc1 | nnc(S |
<|startoftext|><L>c1ccc(O[<mask_1:1>]2CCN(Cc3nnc(C4CC4)n3C3CC3)C2)cc1<mask_1:1> | 4 | 8 | 1 | C@@H | 1 | c1ccc(O[n]2CCN(Cc3nnc(C4CC4)n3C3CC3)C2)cc1 | c1ccc(O[C@@H]2CCN(Cc3nnc(C4CC4)n3C3CC3)C2)cc1 | n |
<|startoftext|><L>c1ccc<mask_1:2>C@@H]2CCN(Cc3nnc(C4CC4)n3C3CC3)C2)cc1<mask_1:2> | 3 | 5 | 2 | (O[ | 2 | c1ccc([C@@H]2CCN(Cc3nnc(C4CC4)n3C3CC3)C2)cc1 | c1ccc(O[C@@H]2CCN(Cc3nnc(C4CC4)n3C3CC3)C2)cc1 | ([ |
<|startoftext|><L>c1ccc(O[C@@H]2CCN(Cc3nnc(<mask_1:4>C4)n3C3CC3)C2)cc1<mask_1:4> | 3 | 25 | 4 | C4C | 4 | c1ccc(O[C@@H]2CCN(Cc3nnc(C4CCC4)n3C3CC3)C2)cc1 | c1ccc(O[C@@H]2CCN(Cc3nnc(C4CC4)n3C3CC3)C2)cc1 | C4CC |