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stringlengths 49
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| first_mask_count
int64 0
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156
| first_mask_gen_count
int64 1
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stringlengths 0
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| first_mask_gen_count_real
int64 0
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| generated_smiles
stringlengths 12
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| original_smiles
stringlengths 12
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<|startoftext|><L>CC<mask_1:5>cc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)n(C)n1<mask_1:5> | 3 | 2 | 5 | Cc1 | 5 | CC(C)c1cc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)n(C)n1 | CCCc1cc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)n(C)n1 | (C)c1 |
<|startoftext|><L>C<mask_1:3>cc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)n(C)n1<mask_1:3> | 4 | 1 | 3 | CCc1 | 3 | CCc1cc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)n(C)n1 | CCCc1cc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)n(C)n1 | Cc1 |
<|startoftext|><L>CCCc1cc(C(=O)<mask_1:6>CC[C@H]3OCc4cnnn4[C@H]3C2)n(C)n1<mask_1:6> | 2 | 13 | 6 | N2 | 6 | CCCc1cc(C(=O)N[CH]2CC[C@H]3OCc4cnnn4[C@H]3C2)n(C)n1 | CCCc1cc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)n(C)n1 | N[CH]2 |
<|startoftext|><L>CCCc1cc(C(=O)N2CC[C@H]3OCc4cnnn4[C@<mask_1:5>C2)n(C)n1<mask_1:5> | 3 | 35 | 5 | H]3 | 5 | CCCc1cc(C(=O)N2CC[C@H]3OCc4cnnn4[C@@H]3CC2)n(C)n1 | CCCc1cc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)n(C)n1 | @H]3C |
<|startoftext|><L>CCCc1cc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H<mask_1:4>2)n(C)n1<mask_1:4> | 3 | 36 | 4 | ]3C | 4 | CCCc1cc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3CC2)n(C)n1 | CCCc1cc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)n(C)n1 | ]3CC |
<|startoftext|><L>CCCc1cc(C(=O)N2CC[C@H]3OCc4cnnn4<mask_1:3>3C2)n(C)n1<mask_1:3> | 5 | 32 | 3 | [C@H] | 3 | CCCc1cc(C(=O)N2CC[C@H]3OCc4cnnn4[C]3C2)n(C)n1 | CCCc1cc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)n(C)n1 | [C] |
<|startoftext|><L>CCCc1cc(C(=O<mask_1:7>[C@H]3OCc4cnnn4[C@H]3C2)n(C)n1<mask_1:7> | 5 | 12 | 7 | )N2CC | 7 | CCCc1cc(C(=O)N2CCCC[C@H]3OCc4cnnn4[C@H]3C2)n(C)n1 | CCCc1cc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)n(C)n1 | )N2CCCC |
<|startoftext|><L>CCCc1cc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)<mask_1:1>n1<mask_1:1> | 4 | 41 | 1 | n(C) | 1 | CCCc1cc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)on1 | CCCc1cc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)n(C)n1 | o |
<|startoftext|><L>CCCc1<mask_1:5>(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)n(C)n1<mask_1:5> | 4 | 5 | 5 | cc(C | 5 | CCCc1cc(NC(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)n(C)n1 | CCCc1cc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)n(C)n1 | cc(NC |
<|startoftext|><L>CCCc1cc(C(=O)N2CC[C@H]3OCc4cnnn4<mask_1:5>]3C2)n(C)n1<mask_1:5> | 4 | 32 | 5 | [C@H | 5 | CCCc1cc(C(=O)N2CC[C@H]3OCc4cnnn4[C@@H]3C2)n(C)n1 | CCCc1cc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)n(C)n1 | [C@@H |
<|startoftext|><L>CC(=O)c1ccccc1N<mask_1:5>1ccc(S(=O)(=O)N2CCCCC2)o1<mask_1:5> | 6 | 15 | 5 | C(=O)c | 5 | CC(=O)c1ccccc1NCCCOc1ccc(S(=O)(=O)N2CCCCC2)o1 | CC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1 | CCCOc |
<|startoftext|><L>CC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2C<mask_1:2>)o1<mask_1:2> | 5 | 38 | 2 | CCCC2 | 2 | CC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CC2)o1 | CC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1 | C2 |
<|startoftext|><L>CC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N<mask_1:4>CCCCC2)o1<mask_1:4> | 1 | 36 | 4 | 2 | 4 | CC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)NC2CCCCCCC2)o1 | CC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1 | C2CC |
<|startoftext|><L>CC<mask_1:5>=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1<mask_1:5> | 1 | 2 | 5 | ( | 5 | CCCCNC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1 | CC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1 | CCNC( |
<|startoftext|><L>CC(=O)c1ccccc1NC(=O)c1ccc(S<mask_1:2>=O)N2CCCCC2)o1<mask_1:2> | 5 | 27 | 2 | (=O)( | 2 | CC(=O)c1ccccc1NC(=O)c1ccc(SC(=O)N2CCCCC2)o1 | CC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1 | C( |
<|startoftext|><L>CC(=O<mask_1:4>1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1<mask_1:4> | 2 | 5 | 4 | )c | 4 | CC(=O)NCc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1 | CC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1 | )NCc |
<|startoftext|><L>CC(=O)c1ccccc1NC(=O)c1ccc(<mask_1:3>=O)(=O)N2CCCCC2)o1<mask_1:3> | 2 | 26 | 3 | S( | 3 | CC(=O)c1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)o1 | CC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1 | CS( |
<|startoftext|><L>CC(=O)c1ccccc1NC(=O<mask_1:4>)c1ccc(S(=O)(=O)N2CCCCC2)o1<mask_1:4> | 0 | 19 | 4 | 4 | CC(=O)c1ccccc1NC(=O)N(C)c1ccc(S(=O)(=O)N2CCCCC2)o1 | CC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1 | )N(C |
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<|startoftext|><L>C<mask_1:3>c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1<mask_1:3> | 5 | 1 | 3 | C(=O) | 3 | CCCOc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1 | CC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1 | CCO |
<|startoftext|><L>CC(=O)c1c<mask_1:2>1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1<mask_1:2> | 4 | 9 | 2 | cccc | 2 | CC(=O)c1ccs1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1 | CC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1 | cs |
<|startoftext|><L>C#CCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cc(C(<mask_1:5>ccc21<mask_1:5> | 7 | 44 | 5 | =O)OCC) | 5 | C#CCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cc(C(=O)O)ccc21 | C#CCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cc(C(=O)OCC)ccc21 | =O)O) |
<|startoftext|><L>C#CCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cc(C<mask_1:8>OCC)ccc21<mask_1:8> | 4 | 43 | 8 | (=O) | 8 | C#CCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cc(C(=O)OCCCOCC)ccc21 | C#CCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cc(C(=O)OCC)ccc21 | (=O)OCCC |
<|startoftext|><L>C#CCn<mask_1:7>/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cc(C(=O)OCC)ccc21<mask_1:7> | 1 | 5 | 7 | 1 | 7 | C#CCn1/c(=O)/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cc(C(=O)OCC)ccc21 | C#CCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cc(C(=O)OCC)ccc21 | 1/c(=O) |
<|startoftext|><L>C#C<mask_1:4>Cn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cc(C(=O)OCC)ccc21<mask_1:4> | 0 | 3 | 4 | 4 | C#CC(C)Cn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cc(C(=O)OCC)ccc21 | C#CCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cc(C(=O)OCC)ccc21 | C(C) |
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<|startoftext|><L>C#CCn1/c(=<mask_1:5>(=O)c2cc(=O)c3ccccc3o2)sc2cc(C(=O)OCC)ccc21<mask_1:5> | 3 | 10 | 5 | N/C | 5 | C#CCn1/c(=N/OCC(=O)c2cc(=O)c3ccccc3o2)sc2cc(C(=O)OCC)ccc21 | C#CCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cc(C(=O)OCC)ccc21 | N/OCC |
<|startoftext|><L>C#CCn1/c(=N/C(=O)c2<mask_1:1>c3ccccc3o2)sc2cc(C(=O)OCC)ccc21<mask_1:1> | 6 | 19 | 1 | cc(=O) | 1 | C#CCn1/c(=N/C(=O)c2cc3ccccc3o2)sc2cc(C(=O)OCC)ccc21 | C#CCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cc(C(=O)OCC)ccc21 | c |
<|startoftext|><L>C#CCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cc(C<mask_1:1>CC)ccc21<mask_1:1> | 5 | 43 | 1 | (=O)O | 1 | C#CCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cc(C#CC)ccc21 | C#CCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cc(C(=O)OCC)ccc21 | # |
<|startoftext|><L>C#CCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cc(C(=O)OCC)<mask_1:5>cc21<mask_1:5> | 1 | 51 | 5 | c | 5 | C#CCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cc(C(=O)OCC)c(OC)cc21 | C#CCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cc(C(=O)OCC)ccc21 | c(OC) |
<|startoftext|><L>C#CCn1/c(=<mask_1:5>(=O)c2cc(=O)c3ccccc3o2)sc2cc(C(=O)OCC)ccc21<mask_1:5> | 3 | 10 | 5 | N/C | 5 | C#CCn1/c(=N/SCC(=O)c2cc(=O)c3ccccc3o2)sc2cc(C(=O)OCC)ccc21 | C#CCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cc(C(=O)OCC)ccc21 | N/SCC |
<|startoftext|><L>C#CCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cc(C(<mask_1:8>=O)OCC)ccc21<mask_1:8> | 0 | 44 | 8 | 8 | C#CCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cc(C(=O)NCCC(=O)OCC)ccc21 | C#CCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cc(C(=O)OCC)ccc21 | =O)NCCC( |
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<|startoftext|><L>COCc1cc(NC<mask_1:5>)c2coc(C3CCC3)n2)ncn1<mask_1:5> | 3 | 10 | 5 | (=O | 5 | COCc1cc(NC(C)(C)c2coc(C3CCC3)n2)ncn1 | COCc1cc(NC(=O)c2coc(C3CCC3)n2)ncn1 | (C)(C |
<|startoftext|><L>COCc1cc(NC<mask_1:3>=O)c2coc(C3CCC3)n2)ncn1<mask_1:3> | 1 | 10 | 3 | ( | 3 | COCc1cc(NCCC(=O)c2coc(C3CCC3)n2)ncn1 | COCc1cc(NC(=O)c2coc(C3CCC3)n2)ncn1 | CC( |
<|startoftext|><L>COCc1cc(<mask_1:4>NC(=O)c2coc(C3CCC3)n2)ncn1<mask_1:4> | 0 | 8 | 4 | 4 | COCc1cc(CNCCNC(=O)c2coc(C3CCC3)n2)ncn1 | COCc1cc(NC(=O)c2coc(C3CCC3)n2)ncn1 | CNCC |
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<|startoftext|><L><mask_1:3>OCc1cc(NC(=O)c2coc(C3CCC3)n2)ncn1<mask_1:3> | 1 | 0 | 3 | C | 3 | CCCOCc1cc(NC(=O)c2coc(C3CCC3)n2)ncn1 | COCc1cc(NC(=O)c2coc(C3CCC3)n2)ncn1 | CCC |
<|startoftext|><L>CO<mask_1:5>c1cc(NC(=O)c2coc(C3CCC3)n2)ncn1<mask_1:5> | 1 | 2 | 5 | C | 5 | COC(=O)c1cc(NC(=O)c2coc(C3CCC3)n2)ncn1 | COCc1cc(NC(=O)c2coc(C3CCC3)n2)ncn1 | C(=O) |
<|startoftext|><L>COCc1c<mask_1:5>C(=O)c2coc(C3CCC3)n2)ncn1<mask_1:5> | 3 | 6 | 5 | c(N | 5 | COCc1cc(CCNC(=O)c2coc(C3CCC3)n2)ncn1 | COCc1cc(NC(=O)c2coc(C3CCC3)n2)ncn1 | c(CCN |
<|startoftext|><L>COCc1cc(NC(=O)c2coc(C3CC<mask_1:5>3)n2)ncn1<mask_1:5> | 1 | 24 | 5 | C | 5 | COCc1cc(NC(=O)c2coc(C3CCC(O)C3)n2)ncn1 | COCc1cc(NC(=O)c2coc(C3CCC3)n2)ncn1 | C(O)C |
<|startoftext|><L>COCc1cc(NC(=O)c2coc(C3CCC3)n2)n<mask_1:3>n1<mask_1:3> | 1 | 31 | 3 | c | 3 | COCc1cc(NC(=O)c2coc(C3CCC3)n2)n(C)n1 | COCc1cc(NC(=O)c2coc(C3CCC3)n2)ncn1 | (C) |
<|startoftext|><L>COCc1cc(NC(=O)c2c<mask_1:3>c(C3CCC3)n2)ncn1<mask_1:3> | 1 | 17 | 3 | o | 3 | COCc1cc(NC(=O)c2c(C)c(C3CCC3)n2)ncn1 | COCc1cc(NC(=O)c2coc(C3CCC3)n2)ncn1 | (C) |
<|startoftext|><L>COCc1cc(NC(=O)c2coc(C3CCC<mask_1:3>3)n2)ncn1<mask_1:3> | 0 | 25 | 3 | 3 | COCc1cc(NC(=O)c2coc(C3CCCCCC3)n2)ncn1 | COCc1cc(NC(=O)c2coc(C3CCC3)n2)ncn1 | CCC |
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<|startoftext|><L>O<mask_1:3>C(Cc1c(Cl)cccc1Cl)NC1CCC(C(=O)O)CC1<mask_1:3> | 1 | 1 | 3 | = | 3 | O=C=C(Cc1c(Cl)cccc1Cl)NC1CCC(C(=O)O)CC1 | O=C(Cc1c(Cl)cccc1Cl)NC1CCC(C(=O)O)CC1 | =C= |
<|startoftext|><L>O=C(Cc1c(Cl)cccc1Cl)NC1CCC(C(=O)<mask_1:3>1<mask_1:3> | 4 | 32 | 3 | O)CC | 3 | O=C(Cc1c(Cl)cccc1Cl)NC1CCC(C(=O)O)C1 | O=C(Cc1c(Cl)cccc1Cl)NC1CCC(C(=O)O)CC1 | O)C |
<|startoftext|><L>O=C(Cc1c(Cl)cccc1Cl)NC1C<mask_1:2>C(C(=O)O)CC1<mask_1:2> | 1 | 24 | 2 | C | 2 | O=C(Cc1c(Cl)cccc1Cl)NC1CCCC(C(=O)O)CC1 | O=C(Cc1c(Cl)cccc1Cl)NC1CCC(C(=O)O)CC1 | CC |
<|startoftext|><L>O=C(Cc1c(Cl)c<mask_1:4>cc1Cl)NC1CCC(C(=O)O)CC1<mask_1:4> | 1 | 13 | 4 | c | 4 | O=C(Cc1c(Cl)cc(F)cc1Cl)NC1CCC(C(=O)O)CC1 | O=C(Cc1c(Cl)cccc1Cl)NC1CCC(C(=O)O)CC1 | c(F) |
<|startoftext|><L>O=C(Cc1c(C<mask_1:4>c1Cl)NC1CCC(C(=O)O)CC1<mask_1:4> | 5 | 10 | 4 | l)ccc | 4 | O=C(Cc1c(Cl)noc1Cl)NC1CCC(C(=O)O)CC1 | O=C(Cc1c(Cl)cccc1Cl)NC1CCC(C(=O)O)CC1 | l)no |
<|startoftext|><L>O=C(Cc1c(Cl)cccc1Cl)NC1CCC(C(=<mask_1:5>)O)CC1<mask_1:5> | 1 | 30 | 5 | O | 5 | O=C(Cc1c(Cl)cccc1Cl)NC1CCC(C(=O)N(C)O)CC1 | O=C(Cc1c(Cl)cccc1Cl)NC1CCC(C(=O)O)CC1 | O)N(C |
<|startoftext|><L>O=C(Cc1c(Cl)<mask_1:5>c1Cl)NC1CCC(C(=O)O)CC1<mask_1:5> | 3 | 12 | 5 | ccc | 5 | O=C(Cc1c(Cl)[nH]cc1Cl)NC1CCC(C(=O)O)CC1 | O=C(Cc1c(Cl)cccc1Cl)NC1CCC(C(=O)O)CC1 | [nH]c |
<|startoftext|><L>O=C(Cc1c(Cl)cccc1Cl)NC1CC<mask_1:4>(C(=O)O)CC1<mask_1:4> | 1 | 25 | 4 | C | 4 | O=C(Cc1c(Cl)cccc1Cl)NC1CCC(O)(C(=O)O)CC1 | O=C(Cc1c(Cl)cccc1Cl)NC1CCC(C(=O)O)CC1 | C(O) |
<|startoftext|><L>O<mask_1:4>(Cc1c(Cl)cccc1Cl)NC1CCC(C(=O)O)CC1<mask_1:4> | 2 | 1 | 4 | =C | 4 | O=C=C(Cc1c(Cl)cccc1Cl)NC1CCC(C(=O)O)CC1 | O=C(Cc1c(Cl)cccc1Cl)NC1CCC(C(=O)O)CC1 | =C=C |
<|startoftext|><L>O=C(C<mask_1:1>c1c(Cl)cccc1Cl)NC1CCC(C(=O)O)CC1<mask_1:1> | 0 | 5 | 1 | 1 | O=C(COc1c(Cl)cccc1Cl)NC1CCC(C(=O)O)CC1 | O=C(Cc1c(Cl)cccc1Cl)NC1CCC(C(=O)O)CC1 | O |
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<|startoftext|><L>CCC[C@@H]1S/C(=N<mask_1:6>c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O<mask_1:6> | 5 | 16 | 6 | \N=C\ | 6 | CCC[C@@H]1S/C(=N\N=C/Nc2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O | CCC[C@@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O | \N=C/N |
<|startoftext|><L>CCC[C@@H<mask_1:6>\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O<mask_1:6> | 8 | 8 | 6 | ]1S/C(=N | 6 | CCC[C@@H]1S/C(\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O | CCC[C@@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O | ]1S/C( |
<|startoftext|><L>CCC[C@@<mask_1:3>N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O<mask_1:3> | 8 | 7 | 3 | H]1S/C(= | 3 | CCC[C@@]1(N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O | CCC[C@@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O | ]1( |
<|startoftext|><L>CCC[C@@H]1S/C(=N\N=C\c2<mask_1:7>(OC)c(OC)c2)N(Cc2ccccc2)C1=O<mask_1:7> | 3 | 23 | 7 | ccc | 7 | CCC[C@@H]1S/C(=N\N=C\c2cc(OC)c(OC)c(OC)c2)N(Cc2ccccc2)C1=O | CCC[C@@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O | cc(OC)c |
<|startoftext|><L>CCC[C@@H]1S/C<mask_1:1>=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O<mask_1:1> | 5 | 13 | 1 | (=N\N | 1 | CCC[C@@H]1S/C(=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O | CCC[C@@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O | ( |
<|startoftext|><L>CCC[C@@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc<mask_1:8>cccc2)C1=O<mask_1:8> | 2 | 42 | 8 | 2c | 8 | CCC[C@@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2cc(OC)ccccc2)C1=O | CCC[C@@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O | 2cc(OC)c |
<|startoftext|><L>CCC[C@@H]1S/C(=N\N=C\c2<mask_1:5>c(OC)c(OC)c2)N(Cc2ccccc2)C1=O<mask_1:5> | 2 | 23 | 5 | cc | 5 | CCC[C@@H]1S/C(=N\N=C\c2cc(O)c(OC)c(OC)c2)N(Cc2ccccc2)C1=O | CCC[C@@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O | cc(O) |
<|startoftext|><L>CCC[C@@H]1S/<mask_1:4>N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O<mask_1:4> | 5 | 12 | 4 | C(=N\ | 4 | CCC[C@@H]1S/C(=NN=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O | CCC[C@@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O | C(=N |
<|startoftext|><L>CCC[C@@H]1S/C(=N\N=C\c2ccc(O<mask_1:2>c2)N(Cc2ccccc2)C1=O<mask_1:2> | 7 | 28 | 2 | C)c(OC) | 2 | CCC[C@@H]1S/C(=N\N=C\c2ccc(O)cc2)N(Cc2ccccc2)C1=O | CCC[C@@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O | )c |
<|startoftext|><L>CC<mask_1:5>1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O<mask_1:5> | 7 | 2 | 5 | C[C@@H] | 5 | CCCCCCN1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O | CCC[C@@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O | CCCCN |
<|startoftext|><L>Cc1c(C(=O)N2C<mask_1:4>](CO)C2)sc2ncnc(NCCCc3ccccc3)c12<mask_1:4> | 7 | 13 | 4 | CC[C@@H | 4 | Cc1c(C(=O)N2CC[C@](CO)C2)sc2ncnc(NCCCc3ccccc3)c12 | Cc1c(C(=O)N2CCC[C@@H](CO)C2)sc2ncnc(NCCCc3ccccc3)c12 | C[C@ |
<|startoftext|><L>Cc1c(C(=O)N2CCC[C@@H](CO)C2)sc2ncnc(NCCCc3ccccc<mask_1:4>)c12<mask_1:4> | 1 | 47 | 4 | 3 | 4 | Cc1c(C(=O)N2CCC[C@@H](CO)C2)sc2ncnc(NCCCc3ccccc3C#N)c12 | Cc1c(C(=O)N2CCC[C@@H](CO)C2)sc2ncnc(NCCCc3ccccc3)c12 | 3C#N |
<|startoftext|><L>Cc1c(C(=O)N2CCC[C@@H](CO)C2)sc2ncnc<mask_1:5>NCCCc3ccccc3)c12<mask_1:5> | 1 | 35 | 5 | ( | 5 | Cc1c(C(=O)N2CCC[C@@H](CO)C2)sc2ncnc(NCCCNCCCc3ccccc3)c12 | Cc1c(C(=O)N2CCC[C@@H](CO)C2)sc2ncnc(NCCCc3ccccc3)c12 | (NCCC |
<|startoftext|><L>Cc1c(C(=O)N2CCC[C@@H](CO)C2)sc<mask_1:7>ncnc(NCCCc3ccccc3)c12<mask_1:7> | 1 | 30 | 7 | 2 | 7 | Cc1c(C(=O)N2CCC[C@@H](CO)C2)sc(=S)n2cncnc(NCCCc3ccccc3)c12 | Cc1c(C(=O)N2CCC[C@@H](CO)C2)sc2ncnc(NCCCc3ccccc3)c12 | (=S)n2c |
<|startoftext|><L>Cc1c(C(<mask_1:5>N2CCC[C@@H](CO)C2)sc2ncnc(NCCCc3ccccc3)c12<mask_1:5> | 3 | 7 | 5 | =O) | 5 | Cc1c(C(=O)NCN2CCC[C@@H](CO)C2)sc2ncnc(NCCCc3ccccc3)c12 | Cc1c(C(=O)N2CCC[C@@H](CO)C2)sc2ncnc(NCCCc3ccccc3)c12 | =O)NC |
<|startoftext|><L>Cc1c(C(=O)N2CCC[C@@H](CO)C2)sc2ncnc(N<mask_1:4>CCCc3ccccc3)c12<mask_1:4> | 0 | 37 | 4 | 4 | Cc1c(C(=O)N2CCC[C@@H](CO)C2)sc2ncnc(N(C)CCCCc3ccccc3)c12 | Cc1c(C(=O)N2CCC[C@@H](CO)C2)sc2ncnc(NCCCc3ccccc3)c12 | (C)C |
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<|startoftext|><L>Cc1c(C(=O)N2CCC[C@@H](CO)C2)sc2ncnc(NCCCc3ccccc<mask_1:4>)c12<mask_1:4> | 1 | 47 | 4 | 3 | 4 | Cc1c(C(=O)N2CCC[C@@H](CO)C2)sc2ncnc(NCCCc3ccccc3C#N)c12 | Cc1c(C(=O)N2CCC[C@@H](CO)C2)sc2ncnc(NCCCc3ccccc3)c12 | 3C#N |
<|startoftext|><L>Cc1c(C(=O)N2CCC[C@@H](CO)C2)sc2ncnc(NCCCc3<mask_1:6>ccc3)c12<mask_1:6> | 2 | 42 | 6 | cc | 6 | Cc1c(C(=O)N2CCC[C@@H](CO)C2)sc2ncnc(NCCCc3cc(Cl)ccc3)c12 | Cc1c(C(=O)N2CCC[C@@H](CO)C2)sc2ncnc(NCCCc3ccccc3)c12 | cc(Cl) |
<|startoftext|><L>Cc1c(C(=O)N2CCC[C@@H](CO<mask_1:1>2)sc2ncnc(NCCCc3ccccc3)c12<mask_1:1> | 2 | 24 | 1 | )C | 1 | Cc1c(C(=O)N2CCC[C@@H](CO)2)sc2ncnc(NCCCc3ccccc3)c12 | Cc1c(C(=O)N2CCC[C@@H](CO)C2)sc2ncnc(NCCCc3ccccc3)c12 | ) |
<|startoftext|><L>Cc1c(C(=O)N2CCC[C@<mask_1:6>(CO)C2)sc2ncnc(NCCCc3ccccc3)c12<mask_1:6> | 3 | 18 | 6 | @H] | 6 | Cc1c(C(=O)N2CCC[C@@](CO)(CO)C2)sc2ncnc(NCCCc3ccccc3)c12 | Cc1c(C(=O)N2CCC[C@@H](CO)C2)sc2ncnc(NCCCc3ccccc3)c12 | @](CO) |
<|startoftext|><L>O=C(N[C@H]1CO<mask_1:4>[C@@H]1OC[C@H]2O)c1cccc(F)c1F<mask_1:4> | 6 | 13 | 4 | [C@H]2 | 4 | O=C(N[C@H]1COCCN2[C@@H]1OC[C@H]2O)c1cccc(F)c1F | O=C(N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O)c1cccc(F)c1F | CCN2 |
<|startoftext|><L>O=C(N[C@H]1CO[C@H]2[C@@<mask_1:5>@H]2O)c1cccc(F)c1F<mask_1:5> | 7 | 23 | 5 | H]1OC[C | 5 | O=C(N[C@H]1CO[C@H]2[C@@H]1[C@H]2O)c1cccc(F)c1F | O=C(N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O)c1cccc(F)c1F | H]1[C |
<|startoftext|><L>O=C(N[C@H]1CO[C@H]2[C@@H]1OC[C@H<mask_1:6>1cccc(F)c1F<mask_1:6> | 5 | 32 | 6 | ]2O)c | 6 | O=C(N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O)Nc1cccc(F)c1F | O=C(N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O)c1cccc(F)c1F | ]2O)Nc |
<|startoftext|><L>O=C(N[C@H]1CO[C@H]2[<mask_1:5>OC[C@H]2O)c1cccc(F)c1F<mask_1:5> | 6 | 20 | 5 | C@@H]1 | 5 | O=C(N[C@H]1CO[C@H]2[C@H]1OC[C@H]2O)c1cccc(F)c1F | O=C(N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O)c1cccc(F)c1F | C@H]1 |
<|startoftext|><L>O=C(N[C<mask_1:3>CO[C@H]2[C@@H]1OC[C@H]2O)c1cccc(F)c1F<mask_1:3> | 4 | 7 | 3 | @H]1 | 3 | O=C(N[CH]1CO[C@H]2[C@@H]1OC[C@H]2O)c1cccc(F)c1F | O=C(N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O)c1cccc(F)c1F | H]1 |
<|startoftext|><L>O=C(<mask_1:3>N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O)c1cccc(F)c1F<mask_1:3> | 0 | 4 | 3 | 3 | O=C(NCCN[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O)c1cccc(F)c1F | O=C(N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O)c1cccc(F)c1F | NCC |
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<|startoftext|><L>O=C(N[C@H]1CO[C@H]2[C@@H]1O<mask_1:7>C@H]2O)c1cccc(F)c1F<mask_1:7> | 2 | 27 | 7 | C[ | 7 | O=C(N[C@H]1CO[C@H]2[C@@H]1OC(=O)O[C@H]2O)c1cccc(F)c1F | O=C(N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O)c1cccc(F)c1F | C(=O)O[ |
<|startoftext|><L>O=C(N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O)c1cc<mask_1:6>c(F)c1F<mask_1:6> | 1 | 40 | 6 | c | 6 | O=C(N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O)c1ccc(C#N)c(F)c1F | O=C(N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O)c1cccc(F)c1F | c(C#N) |
<|startoftext|><L>O=C(N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O)c1c<mask_1:7>(F)c1F<mask_1:7> | 3 | 39 | 7 | ccc | 7 | O=C(N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O)c1cc(Cl)cc(F)c1F | O=C(N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O)c1cccc(F)c1F | c(Cl)cc |
<|startoftext|><L>O=C(N<mask_1:4>[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O)c1cccc(F)c1F<mask_1:4> | 0 | 5 | 4 | 4 | O=C(NCCSC[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O)c1cccc(F)c1F | O=C(N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O)c1cccc(F)c1F | CCSC |
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<|startoftext|><L>CCOc1ccc(-c2c[nH]c(-c3cc<mask_1:4>CO)o3)n2)cc1OCC<mask_1:4> | 2 | 24 | 4 | c( | 4 | CCOc1ccc(-c2c[nH]c(-c3ccc(CCCO)o3)n2)cc1OCC | CCOc1ccc(-c2c[nH]c(-c3ccc(CO)o3)n2)cc1OCC | c(CC |
<|startoftext|><L>CCOc1c<mask_1:5>c(-c2c[nH]c(-c3ccc(CO)o3)n2)cc1OCC<mask_1:5> | 1 | 6 | 5 | c | 5 | CCOc1cc(Br)c(-c2c[nH]c(-c3ccc(CO)o3)n2)cc1OCC | CCOc1ccc(-c2c[nH]c(-c3ccc(CO)o3)n2)cc1OCC | c(Br) |
<|startoftext|><L>CCOc1ccc(-c2c[nH]c(-c3cc<mask_1:3>3)n2)cc1OCC<mask_1:3> | 6 | 24 | 3 | c(CO)o | 3 | CCOc1ccc(-c2c[nH]c(-c3ccccn3)n2)cc1OCC | CCOc1ccc(-c2c[nH]c(-c3ccc(CO)o3)n2)cc1OCC | ccn |
<|startoftext|><L>CCOc1ccc(-c2c[nH]c(-c3ccc(C<mask_1:6>3)n2)cc1OCC<mask_1:6> | 3 | 27 | 6 | O)o | 6 | CCOc1ccc(-c2c[nH]c(-c3ccc(C)c(O)c3)n2)cc1OCC | CCOc1ccc(-c2c[nH]c(-c3ccc(CO)o3)n2)cc1OCC | )c(O)c |
<|startoftext|><L>CCOc1ccc(-c2c[nH]c(-c<mask_1:3>ccc(CO)o3)n2)cc1OCC<mask_1:3> | 1 | 21 | 3 | 3 | 3 | CCOc1ccc(-c2c[nH]c(-c3ccccc(CO)o3)n2)cc1OCC | CCOc1ccc(-c2c[nH]c(-c3ccc(CO)o3)n2)cc1OCC | 3cc |
<|startoftext|><L>C<mask_1:1>COc1ccc(-c2c[nH]c(-c3ccc(CO)o3)n2)cc1OCC<mask_1:1> | 0 | 1 | 1 | 1 | CCCOc1ccc(-c2c[nH]c(-c3ccc(CO)o3)n2)cc1OCC | CCOc1ccc(-c2c[nH]c(-c3ccc(CO)o3)n2)cc1OCC | C |
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<|startoftext|><L>CCOc<mask_1:5>c2c[nH]c(-c3ccc(CO)o3)n2)cc1OCC<mask_1:5> | 6 | 4 | 5 | 1ccc(- | 5 | CCOc1ccc(c2c[nH]c(-c3ccc(CO)o3)n2)cc1OCC | CCOc1ccc(-c2c[nH]c(-c3ccc(CO)o3)n2)cc1OCC | 1ccc( |
<|startoftext|><L>CCOc1ccc(-c2c[nH]c(-c3cc<mask_1:4>o3)n2)cc1OCC<mask_1:4> | 5 | 24 | 4 | c(CO) | 4 | CCOc1ccc(-c2c[nH]c(-c3cc(C)no3)n2)cc1OCC | CCOc1ccc(-c2c[nH]c(-c3ccc(CO)o3)n2)cc1OCC | (C)n |
<|startoftext|><L>CCOc1ccc(-c2c[nH]c(-c3ccc(CO)o3)n2)<mask_1:6>C<mask_1:6> | 5 | 35 | 6 | cc1OC | 6 | CCOc1ccc(-c2c[nH]c(-c3ccc(CO)o3)n2)cc1OCCC | CCOc1ccc(-c2c[nH]c(-c3ccc(CO)o3)n2)cc1OCC | cc1OCC |
<|startoftext|><L>CCOc1<mask_1:2>-c2c[nH]c(-c3ccc(CO)o3)n2)cc1OCC<mask_1:2> | 4 | 5 | 2 | ccc( | 2 | CCOc1c(-c2c[nH]c(-c3ccc(CO)o3)n2)cc1OCC | CCOc1ccc(-c2c[nH]c(-c3ccc(CO)o3)n2)cc1OCC | c( |
<|startoftext|><L>Cc1ncsc1CN1CCC([C@H](O)<mask_1:5>c2nccn2C)CC1<mask_1:5> | 0 | 23 | 5 | 5 | Cc1ncsc1CN1CCC([C@H](O)C(=O)c2nccn2C)CC1 | Cc1ncsc1CN1CCC([C@H](O)c2nccn2C)CC1 | C(=O) |
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<|startoftext|><L>Cc1ncsc1CN<mask_1:4>CC([C@H](O)c2nccn2C)CC1<mask_1:4> | 2 | 10 | 4 | 1C | 4 | Cc1ncsc1CN1CC=CC([C@H](O)c2nccn2C)CC1 | Cc1ncsc1CN1CCC([C@H](O)c2nccn2C)CC1 | 1CC= |
<|startoftext|><L>Cc1ncsc1CN1CCC([C@H](O)c2ncc<mask_1:3>C1<mask_1:3> | 5 | 28 | 3 | n2C)C | 3 | Cc1ncsc1CN1CCC([C@H](O)c2nccs2)C1 | Cc1ncsc1CN1CCC([C@H](O)c2nccn2C)CC1 | s2) |
<|startoftext|><L>Cc1ncsc1CN1CCC([C@H](O)c2nccn2C)C<mask_1:5>C1<mask_1:5> | 0 | 33 | 5 | 5 | Cc1ncsc1CN1CCC([C@H](O)c2nccn2C)C(=O)CC1 | Cc1ncsc1CN1CCC([C@H](O)c2nccn2C)CC1 | (=O)C |
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<|startoftext|><L>Cc1ncsc1<mask_1:4>CN1CCC([C@H](O)c2nccn2C)CC1<mask_1:4> | 0 | 8 | 4 | 4 | Cc1ncsc1CSCCCN1CCC([C@H](O)c2nccn2C)CC1 | Cc1ncsc1CN1CCC([C@H](O)c2nccn2C)CC1 | CSCC |
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<|startoftext|><L>Cc1ncsc1CN1CCC([C@H](<mask_1:5>2nccn2C)CC1<mask_1:5> | 3 | 21 | 5 | O)c | 5 | Cc1ncsc1CN1CCC([C@H](O)CCc2nccn2C)CC1 | Cc1ncsc1CN1CCC([C@H](O)c2nccn2C)CC1 | O)CCc |
<|startoftext|><L>Cc1ncsc1C<mask_1:4>([C@H](O)c2nccn2C)CC1<mask_1:4> | 5 | 9 | 4 | N1CCC | 4 | Cc1ncsc1C1CCN([C@H](O)c2nccn2C)CC1 | Cc1ncsc1CN1CCC([C@H](O)c2nccn2C)CC1 | 1CCN |
<|startoftext|><L>Cc1ncsc1CN1CCC<mask_1:4>@H](O)c2nccn2C)CC1<mask_1:4> | 3 | 14 | 4 | ([C | 4 | Cc1ncsc1CN1CCC([C@@H](O)c2nccn2C)CC1 | Cc1ncsc1CN1CCC([C@H](O)c2nccn2C)CC1 | ([C@ |
<|startoftext|><L>Cc1ncsc1C<mask_1:4>CC([C@H](O)c2nccn2C)CC1<mask_1:4> | 3 | 9 | 4 | N1C | 4 | Cc1ncsc1CCN1CCC([C@H](O)c2nccn2C)CC1 | Cc1ncsc1CN1CCC([C@H](O)c2nccn2C)CC1 | CN1C |
<|startoftext|><L>Cc1ncsc1CN1CCC([C@H](O)c2<mask_1:5>2C)CC1<mask_1:5> | 4 | 25 | 5 | nccn | 5 | Cc1ncsc1CN1CCC([C@H](O)c2cccnc2C)CC1 | Cc1ncsc1CN1CCC([C@H](O)c2nccn2C)CC1 | cccnc |