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stringlengths 49
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| first_mask_count
int64 0
16
| first_start_index
int64 0
156
| first_mask_gen_count
int64 1
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stringlengths 0
16
| first_mask_gen_count_real
int64 0
18
| generated_smiles
stringlengths 12
189
| original_smiles
stringlengths 12
175
| generated_tokens
stringlengths 0
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|---|---|---|---|---|---|---|---|---|
<|startoftext|><L>CC(C)c1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2C<mask_1:3>)cc1<mask_1:3> | 1 | 43 | 3 | l | 3 | CC(C)c1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2CC#N)cc1 | CC(C)c1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 | C#N |
<|startoftext|><L>CC(C)c1ccc(C(=O)OCC(=O)Nc2ncc(<mask_1:2>(F)F)cc2Cl)cc1<mask_1:2> | 4 | 30 | 2 | C(F) | 2 | CC(C)c1ccc(C(=O)OCC(=O)Nc2ncc(OC(F)F)cc2Cl)cc1 | CC(C)c1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 | OC |
<|startoftext|><L>CC(C)c1ccc(C(<mask_1:7>=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1<mask_1:7> | 0 | 13 | 7 | 7 | CC(C)c1ccc(C(=O)CCC(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 | CC(C)c1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 | =O)CCC( |
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<|startoftext|><L>CC(C)c1ccc(C(=O)OCC(=O)N<mask_1:7>2ncc(C(F)(F)F)cc2Cl)cc1<mask_1:7> | 1 | 24 | 7 | c | 7 | CC(C)c1ccc(C(=O)OCC(=O)NCC(=O)c2ncc(C(F)(F)F)cc2Cl)cc1 | CC(C)c1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 | CC(=O)c |
<|startoftext|><L>CC(C)c1ccc(C<mask_1:5>C(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1<mask_1:5> | 6 | 12 | 5 | (=O)OC | 5 | CC(C)c1ccc(C(=O)NC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 | CC(C)c1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 | (=O)N |
<|startoftext|><L>CC(C)c1ccc(C(=O)<mask_1:5>C(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1<mask_1:5> | 2 | 16 | 5 | OC | 5 | CC(C)c1ccc(C(=O)NCCCCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 | CC(C)c1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 | NCCCC |
<|startoftext|><L>CC(C)c1ccc(C(=O)OC<mask_1:5>c2ncc(C(F)(F)F)cc2Cl)cc1<mask_1:5> | 6 | 18 | 5 | C(=O)N | 5 | CC(C)c1ccc(C(=O)OCC(=O)c2ncc(C(F)(F)F)cc2Cl)cc1 | CC(C)c1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 | C(=O) |
<|startoftext|><L>CC(C)c1ccc(C(=O)O<mask_1:6>)Nc2ncc(C(F)(F)F)cc2Cl)cc1<mask_1:6> | 5 | 17 | 6 | CC(=O | 6 | CC(C)c1ccc(C(=O)OCCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 | CC(C)c1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 | CCC(=O |
<|startoftext|><L>CC(C)c1ccc(C(=O)O<mask_1:5>=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1<mask_1:5> | 3 | 17 | 5 | CC( | 5 | CC(C)c1ccc(C(=O)OCCCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 | CC(C)c1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 | CCCC( |
<|startoftext|><L>CC(C)c1ccc(C(=O<mask_1:6>(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1<mask_1:6> | 4 | 15 | 6 | )OCC | 6 | CC(C)c1ccc(C(=O)NCCNC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 | CC(C)c1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 | )NCCNC |
<|startoftext|><L>CCCn1ncn<mask_1:2>Nc1ccc(Cl)cc1C(=O)N1CCCC1<mask_1:2> | 3 | 8 | 2 | c1C | 2 | CCCn1ncnc1Nc1ccc(Cl)cc1C(=O)N1CCCC1 | CCCn1ncnc1CNc1ccc(Cl)cc1C(=O)N1CCCC1 | c1 |
<|startoftext|><L>CCC<mask_1:4>ncnc1CNc1ccc(Cl)cc1C(=O)N1CCCC1<mask_1:4> | 2 | 3 | 4 | n1 | 4 | CCCCCn1ncnc1CNc1ccc(Cl)cc1C(=O)N1CCCC1 | CCCn1ncnc1CNc1ccc(Cl)cc1C(=O)N1CCCC1 | CCn1 |
<|startoftext|><L>CCCn1ncnc<mask_1:5>1ccc(Cl)cc1C(=O)N1CCCC1<mask_1:5> | 4 | 9 | 5 | 1CNc | 5 | CCCn1ncnc1CNCc1ccc(Cl)cc1C(=O)N1CCCC1 | CCCn1ncnc1CNc1ccc(Cl)cc1C(=O)N1CCCC1 | 1CNCc |
<|startoftext|><L>CCCn1ncnc1CNc1ccc(C<mask_1:4>c1C(=O)N1CCCC1<mask_1:4> | 3 | 19 | 4 | l)c | 4 | CCCn1ncnc1CNc1ccc(C#N)cc1C(=O)N1CCCC1 | CCCn1ncnc1CNc1ccc(Cl)cc1C(=O)N1CCCC1 | #N)c |
<|startoftext|><L>CCCn1ncnc1CNc1ccc(Cl)cc1C(=O)N<mask_1:5>CC1<mask_1:5> | 3 | 30 | 5 | 1CC | 5 | CCCn1ncnc1CNc1ccc(Cl)cc1C(=O)N1CCCCCC1 | CCCn1ncnc1CNc1ccc(Cl)cc1C(=O)N1CCCC1 | 1CCCC |
<|startoftext|><L>CCC<mask_1:2>nc1CNc1ccc(Cl)cc1C(=O)N1CCCC1<mask_1:2> | 4 | 3 | 2 | n1nc | 2 | CCCn1nc1CNc1ccc(Cl)cc1C(=O)N1CCCC1 | CCCn1ncnc1CNc1ccc(Cl)cc1C(=O)N1CCCC1 | n1 |
<|startoftext|><L>CCCn1ncn<mask_1:3>c1ccc(Cl)cc1C(=O)N1CCCC1<mask_1:3> | 4 | 8 | 3 | c1CN | 3 | CCCn1ncnc1-c1ccc(Cl)cc1C(=O)N1CCCC1 | CCCn1ncnc1CNc1ccc(Cl)cc1C(=O)N1CCCC1 | c1- |
<|startoftext|><L>CCCn1ncnc1<mask_1:2>cc(Cl)cc1C(=O)N1CCCC1<mask_1:2> | 5 | 10 | 2 | CNc1c | 2 | CCCn1ncnc1n1cc(Cl)cc1C(=O)N1CCCC1 | CCCn1ncnc1CNc1ccc(Cl)cc1C(=O)N1CCCC1 | n1 |
<|startoftext|><L>CCCn1nc<mask_1:3>Nc1ccc(Cl)cc1C(=O)N1CCCC1<mask_1:3> | 4 | 7 | 3 | nc1C | 3 | CCCn1ncnc1Nc1ccc(Cl)cc1C(=O)N1CCCC1 | CCCn1ncnc1CNc1ccc(Cl)cc1C(=O)N1CCCC1 | nc1 |
<|startoftext|><L>CCCn1ncnc1CN<mask_1:5>1ccc(Cl)cc1C(=O)N1CCCC1<mask_1:5> | 1 | 12 | 5 | c | 5 | CCCn1ncnc1CN(C)Cc1ccc(Cl)cc1C(=O)N1CCCC1 | CCCn1ncnc1CNc1ccc(Cl)cc1C(=O)N1CCCC1 | (C)Cc |
<|startoftext|><L>C[C@H]1Oc2ccccc2N(C<mask_1:5>c(C(=O)O)cc2)C1=O<mask_1:5> | 4 | 19 | 5 | c2cc | 5 | C[C@H]1Oc2ccccc2N(CCc2ccc(C(=O)O)cc2)C1=O | C[C@H]1Oc2ccccc2N(Cc2ccc(C(=O)O)cc2)C1=O | Cc2cc |
<|startoftext|><L>C[C@H]1Oc2ccccc2N(Cc2<mask_1:6>c(C(=O)O)cc2)C1=O<mask_1:6> | 2 | 21 | 6 | cc | 6 | C[C@H]1Oc2ccccc2N(Cc2cc(Cl)c(C(=O)O)cc2)C1=O | C[C@H]1Oc2ccccc2N(Cc2ccc(C(=O)O)cc2)C1=O | cc(Cl) |
<|startoftext|><L>C[C@H]1Oc2ccccc2N(Cc2ccc(C(=O)O)c<mask_1:5>)C1=O<mask_1:5> | 2 | 33 | 5 | c2 | 5 | C[C@H]1Oc2ccccc2N(Cc2ccc(C(=O)O)c(F)c2)C1=O | C[C@H]1Oc2ccccc2N(Cc2ccc(C(=O)O)cc2)C1=O | (F)c2 |
<|startoftext|><L>C[C@H]1O<mask_1:3>ccccc2N(Cc2ccc(C(=O)O)cc2)C1=O<mask_1:3> | 2 | 8 | 3 | c2 | 3 | C[C@H]1OCc2ccccc2N(Cc2ccc(C(=O)O)cc2)C1=O | C[C@H]1Oc2ccccc2N(Cc2ccc(C(=O)O)cc2)C1=O | Cc2 |
<|startoftext|><L>C[C@H]1Oc2ccccc<mask_1:3>(Cc2ccc(C(=O)O)cc2)C1=O<mask_1:3> | 2 | 15 | 3 | 2N | 3 | C[C@H]1Oc2ccccc2CN(Cc2ccc(C(=O)O)cc2)C1=O | C[C@H]1Oc2ccccc2N(Cc2ccc(C(=O)O)cc2)C1=O | 2CN |
<|startoftext|><L>C[C@H]1Oc2ccccc2N(Cc2cc<mask_1:4>(C(=O)O)cc2)C1=O<mask_1:4> | 1 | 23 | 4 | c | 4 | C[C@H]1Oc2ccccc2N(Cc2cc(O)c(C(=O)O)cc2)C1=O | C[C@H]1Oc2ccccc2N(Cc2ccc(C(=O)O)cc2)C1=O | (O)c |
<|startoftext|><L>C[C@H]1Oc2ccccc<mask_1:6>2ccc(C(=O)O)cc2)C1=O<mask_1:6> | 5 | 15 | 6 | 2N(Cc | 6 | C[C@H]1Oc2ccccc2N(CCc2ccc(C(=O)O)cc2)C1=O | C[C@H]1Oc2ccccc2N(Cc2ccc(C(=O)O)cc2)C1=O | 2N(CCc |
<|startoftext|><L>C[C@H]1Oc2ccccc2N(Cc2ccc(C(=O)O)<mask_1:1>2)C1=O<mask_1:1> | 2 | 32 | 1 | cc | 1 | C[C@H]1Oc2ccccc2N(Cc2ccc(C(=O)O)o2)C1=O | C[C@H]1Oc2ccccc2N(Cc2ccc(C(=O)O)cc2)C1=O | o |
<|startoftext|><L>C[C@H]1Oc2ccccc2N(Cc2ccc(C(=O)O)c<mask_1:6>1=O<mask_1:6> | 4 | 33 | 6 | c2)C | 6 | C[C@H]1Oc2ccccc2N(Cc2ccc(C(=O)O)cc2Cl)C1=O | C[C@H]1Oc2ccccc2N(Cc2ccc(C(=O)O)cc2)C1=O | c2Cl)C |
<|startoftext|><L>C[C@H]1Oc2ccccc2N(Cc2ccc(C<mask_1:5>)O)cc2)C1=O<mask_1:5> | 3 | 26 | 5 | (=O | 5 | C[C@H]1Oc2ccccc2N(Cc2ccc(C(F)(F)O)cc2)C1=O | C[C@H]1Oc2ccccc2N(Cc2ccc(C(=O)O)cc2)C1=O | (F)(F |
<|startoftext|><L>CCc1ccc(NC(=O)<mask_1:3>nnc(-c3ccco3)n2CC)cc1<mask_1:3> | 4 | 14 | 3 | CSc2 | 3 | CCc1ccc(NC(=O)Cc2nnc(-c3ccco3)n2CC)cc1 | CCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2CC)cc1 | Cc2 |
<|startoftext|><L>CCc1ccc(<mask_1:3>)CSc2nnc(-c3ccco3)n2CC)cc1<mask_1:3> | 5 | 8 | 3 | NC(=O | 3 | CCc1ccc(N(C)CSc2nnc(-c3ccco3)n2CC)cc1 | CCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2CC)cc1 | N(C |
<|startoftext|><L>CCc1ccc(NC(=O)C<mask_1:2>Sc2nnc(-c3ccco3)n2CC)cc1<mask_1:2> | 0 | 15 | 2 | 2 | CCc1ccc(NC(=O)CCCSc2nnc(-c3ccco3)n2CC)cc1 | CCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2CC)cc1 | CC |
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<|startoftext|><L>CCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2<mask_1:3>c1<mask_1:3> | 4 | 33 | 3 | CC)c | 3 | CCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2C)cc1 | CCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2CC)cc1 | C)c |
<|startoftext|><L>CCc1ccc(<mask_1:4>(=O)CSc2nnc(-c3ccco3)n2CC)cc1<mask_1:4> | 2 | 8 | 4 | NC | 4 | CCc1ccc(CCNC(=O)CSc2nnc(-c3ccco3)n2CC)cc1 | CCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2CC)cc1 | CCNC |
<|startoftext|><L>CCc1ccc(N<mask_1:5>C(=O)CSc2nnc(-c3ccco3)n2CC)cc1<mask_1:5> | 0 | 9 | 5 | 5 | CCc1ccc(NC(=O)C(=O)CSc2nnc(-c3ccco3)n2CC)cc1 | CCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2CC)cc1 | C(=O) |
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<|startoftext|><L>CCc1ccc<mask_1:4>(=O)CSc2nnc(-c3ccco3)n2CC)cc1<mask_1:4> | 3 | 7 | 4 | (NC | 4 | CCc1ccc(CNC(=O)CSc2nnc(-c3ccco3)n2CC)cc1 | CCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2CC)cc1 | (CNC |
<|startoftext|><L><mask_1:5>c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2CC)cc1<mask_1:5> | 2 | 0 | 5 | CC | 5 | CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2CC)cc1 | CCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2CC)cc1 | CC(C) |
<|startoftext|><L>CCc1cc<mask_1:5>C(=O)CSc2nnc(-c3ccco3)n2CC)cc1<mask_1:5> | 3 | 6 | 5 | c(N | 5 | CCc1ccc(CCNC(=O)CSc2nnc(-c3ccco3)n2CC)cc1 | CCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2CC)cc1 | c(CCN |
<|startoftext|><L>CC<mask_1:1>c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2CC)cc1<mask_1:1> | 0 | 2 | 1 | 1 | CCOc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2CC)cc1 | CCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2CC)cc1 | O |
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<|startoftext|><L>CC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)<mask_1:5>2CCOCC2)cc1<mask_1:5> | 1 | 32 | 5 | N | 5 | CC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1 | CC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 | NCCCN |
<|startoftext|><L>CC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)N2C<mask_1:3>cc1<mask_1:3> | 6 | 35 | 3 | COCC2) | 3 | CC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)N2CC2)cc1 | CC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 | C2) |
<|startoftext|><L>CC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)<mask_1:5>1<mask_1:5> | 2 | 41 | 5 | cc | 5 | CC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)c(F)c1 | CC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 | c(F)c |
<|startoftext|><L>CC(C)(C)CNC(=O)<mask_1:4>c1ccc(S(=O)(=O)N2CCOCC2)cc1<mask_1:4> | 2 | 15 | 4 | CO | 4 | CC(C)(C)CNC(=O)/C=Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 | CC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 | /C=C |
<|startoftext|><L>CC(C)(C)CNC(=O)<mask_1:5>c(S(=O)(=O)N2CCOCC2)cc1<mask_1:5> | 6 | 15 | 5 | COc1cc | 5 | CC(C)(C)CNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 | CC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 | Nc1cc |
<|startoftext|><L>CC(C)(C)CNC(=O)COc1ccc<mask_1:6>=O)(=O)N2CCOCC2)cc1<mask_1:6> | 3 | 22 | 6 | (S( | 6 | CC(C)(C)CNC(=O)COc1ccc(NCCS(=O)(=O)N2CCOCC2)cc1 | CC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 | (NCCS( |
<|startoftext|><L>CC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2<mask_1:6>c1<mask_1:6> | 2 | 40 | 6 | )c | 6 | CC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)c(Cl)c1 | CC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 | )c(Cl) |
<|startoftext|><L>CC(C)(C)CNC(=O)COc1ccc(S(=O<mask_1:1>2CCOCC2)cc1<mask_1:1> | 6 | 27 | 1 | )(=O)N | 1 | CC(C)(C)CNC(=O)COc1ccc(S(=O)2CCOCC2)cc1 | CC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 | ) |
<|startoftext|><L>CC(C)(C)CNC(=O)COc1ccc<mask_1:4>=O)(=O)N2CCOCC2)cc1<mask_1:4> | 3 | 22 | 4 | (S( | 4 | CC(C)(C)CNC(=O)COc1ccc(NS(=O)(=O)N2CCOCC2)cc1 | CC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 | (NS( |
<|startoftext|><L>CC(C)(C<mask_1:3>CNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1<mask_1:3> | 1 | 7 | 3 | ) | 3 | CC(C)(C)OCCNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 | CC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 | )OC |
<|startoftext|><L>Cc1ccn(<mask_1:6>C(=O)N2CCC(C)(c3ncc(C)s3)CC2)n1<mask_1:6> | 2 | 7 | 6 | CC | 6 | Cc1ccn(C/C=C/C(=O)N2CCC(C)(c3ncc(C)s3)CC2)n1 | Cc1ccn(CCC(=O)N2CCC(C)(c3ncc(C)s3)CC2)n1 | C/C=C/ |
<|startoftext|><L>Cc1ccn(CCC(=O)<mask_1:6>CC(C)(c3ncc(C)s3)CC2)n1<mask_1:6> | 3 | 14 | 6 | N2C | 6 | Cc1ccn(CCC(=O)NCCN2CCC(C)(c3ncc(C)s3)CC2)n1 | Cc1ccn(CCC(=O)N2CCC(C)(c3ncc(C)s3)CC2)n1 | NCCN2C |
<|startoftext|><L>Cc1ccn(CCC(=O)N2CCC(C<mask_1:2>)(c3ncc(C)s3)CC2)n1<mask_1:2> | 0 | 21 | 2 | 2 | Cc1ccn(CCC(=O)N2CCC(CCO)(c3ncc(C)s3)CC2)n1 | Cc1ccn(CCC(=O)N2CCC(C)(c3ncc(C)s3)CC2)n1 | CO |
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<|startoftext|><L>Cc1ccn(CCC(=O)N<mask_1:6>CC(C)(c3ncc(C)s3)CC2)n1<mask_1:6> | 2 | 15 | 6 | 2C | 6 | Cc1ccn(CCC(=O)N[C@H]2CC(C)(c3ncc(C)s3)CC2)n1 | Cc1ccn(CCC(=O)N2CCC(C)(c3ncc(C)s3)CC2)n1 | [C@H]2 |
<|startoftext|><L>Cc1ccn(CCC(=O)N2CCC(C)(c3ncc(C<mask_1:4>2)n1<mask_1:4> | 6 | 30 | 4 | )s3)CC | 4 | Cc1ccn(CCC(=O)N2CCC(C)(c3ncc(C)s3)2)n1 | Cc1ccn(CCC(=O)N2CCC(C)(c3ncc(C)s3)CC2)n1 | )s3) |
<|startoftext|><L>Cc1ccn(CCC(=<mask_1:4>N2CCC(C)(c3ncc(C)s3)CC2)n1<mask_1:4> | 2 | 12 | 4 | O) | 4 | Cc1ccn(CCC(=O)NCN2CCC(C)(c3ncc(C)s3)CC2)n1 | Cc1ccn(CCC(=O)N2CCC(C)(c3ncc(C)s3)CC2)n1 | O)NC |
<|startoftext|><L>Cc1ccn(CCC(=O)N2CCC(C)(c3ncc(C)s<mask_1:4>C2)n1<mask_1:4> | 3 | 32 | 4 | 3)C | 4 | Cc1ccn(CCC(=O)N2CCC(C)(c3ncc(C)s3)CCC2)n1 | Cc1ccn(CCC(=O)N2CCC(C)(c3ncc(C)s3)CC2)n1 | 3)CC |
<|startoftext|><L>Cc1ccn(CC<mask_1:3>2CCC(C)(c3ncc(C)s3)CC2)n1<mask_1:3> | 6 | 9 | 3 | C(=O)N | 3 | Cc1ccn(CCCCN2CCC(C)(c3ncc(C)s3)CC2)n1 | Cc1ccn(CCC(=O)N2CCC(C)(c3ncc(C)s3)CC2)n1 | CCN |
<|startoftext|><L>Cc1ccn<mask_1:5>CCC(=O)N2CCC(C)(c3ncc(C)s3)CC2)n1<mask_1:5> | 1 | 6 | 5 | ( | 5 | Cc1ccn(CCCNCCC(=O)N2CCC(C)(c3ncc(C)s3)CC2)n1 | Cc1ccn(CCC(=O)N2CCC(C)(c3ncc(C)s3)CC2)n1 | (CCCN |
<|startoftext|><L>Cc1ccn(CCC(=O)<mask_1:6>CC(C)(c3ncc(C)s3)CC2)n1<mask_1:6> | 3 | 14 | 6 | N2C | 6 | Cc1ccn(CCC(=O)NCCN2CCC(C)(c3ncc(C)s3)CC2)n1 | Cc1ccn(CCC(=O)N2CCC(C)(c3ncc(C)s3)CC2)n1 | NCCN2C |
<|startoftext|><L>CCc1noc(CN(C)C(=O)c2ccccc<mask_1:6>=O)C(C)(C)C)n1<mask_1:6> | 4 | 25 | 6 | 2NC( | 6 | CCc1noc(CN(C)C(=O)c2ccccc2[S@](=O)C(C)(C)C)n1 | CCc1noc(CN(C)C(=O)c2ccccc2NC(=O)C(C)(C)C)n1 | 2[S@]( |
<|startoftext|><L>CCc1noc(CN(C)C(<mask_1:5>=O)c2ccccc2NC(=O)C(C)(C)C)n1<mask_1:5> | 0 | 15 | 5 | 5 | CCc1noc(CN(C)C(=O)C(=O)c2ccccc2NC(=O)C(C)(C)C)n1 | CCc1noc(CN(C)C(=O)c2ccccc2NC(=O)C(C)(C)C)n1 | =O)C( |
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<|startoftext|><L>CCc1noc(CN(<mask_1:2>(=O)c2ccccc2NC(=O)C(C)(C)C)n1<mask_1:2> | 3 | 11 | 2 | C)C | 2 | CCc1noc(CN(C)(=O)c2ccccc2NC(=O)C(C)(C)C)n1 | CCc1noc(CN(C)C(=O)c2ccccc2NC(=O)C(C)(C)C)n1 | C) |
<|startoftext|><L>CCc1noc(CN(C)C(<mask_1:6>)c2ccccc2NC(=O)C(C)(C)C)n1<mask_1:6> | 2 | 15 | 6 | =O | 6 | CCc1noc(CN(C)C(=O)N(C)c2ccccc2NC(=O)C(C)(C)C)n1 | CCc1noc(CN(C)C(=O)c2ccccc2NC(=O)C(C)(C)C)n1 | =O)N(C |
<|startoftext|><L>CCc1noc(CN(C)C(=O)c2ccccc2NC(=O)C(C<mask_1:5>)(C)C)n1<mask_1:5> | 0 | 35 | 5 | 5 | CCc1noc(CN(C)C(=O)c2ccccc2NC(=O)C(C)CC(C)(C)C)n1 | CCc1noc(CN(C)C(=O)c2ccccc2NC(=O)C(C)(C)C)n1 | )CC(C |
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<|startoftext|><L>CCc1noc(CN(C)C(=O)c2ccccc2NC(=O)<mask_1:1>(C)C)n1<mask_1:1> | 4 | 32 | 1 | C(C) | 1 | CCc1noc(CN(C)C(=O)c2ccccc2NC(=O)C(C)C)n1 | CCc1noc(CN(C)C(=O)c2ccccc2NC(=O)C(C)(C)C)n1 | C |
<|startoftext|><L>CCc1noc(CN(C)C(=O)c2ccccc2NC(=O)C<mask_1:1>C)n1<mask_1:1> | 6 | 33 | 1 | (C)(C) | 1 | CCc1noc(CN(C)C(=O)c2ccccc2NC(=O)COC)n1 | CCc1noc(CN(C)C(=O)c2ccccc2NC(=O)C(C)(C)C)n1 | O |
<|startoftext|><L>CCc1noc(CN(C)C(=O)c2ccccc2NC(=O)<mask_1:2>C)C)n1<mask_1:2> | 5 | 32 | 2 | C(C)( | 2 | CCc1noc(CN(C)C(=O)c2ccccc2NC(=O)N(C)C)n1 | CCc1noc(CN(C)C(=O)c2ccccc2NC(=O)C(C)(C)C)n1 | N( |
<|startoftext|><L>CCc1noc(CN(C)C(=O)c2ccccc2NC(=O)C(<mask_1:6>C)n1<mask_1:6> | 5 | 34 | 6 | C)(C) | 6 | CCc1noc(CN(C)C(=O)c2ccccc2NC(=O)C(C)(C)OC)n1 | CCc1noc(CN(C)C(=O)c2ccccc2NC(=O)C(C)(C)C)n1 | C)(C)O |
<|startoftext|><L>CCc1noc<mask_1:4>C(=O)c2ccccc2NC(=O)C(C)(C)C)n1<mask_1:4> | 6 | 7 | 4 | (CN(C) | 4 | CCc1noc(CCNC(=O)c2ccccc2NC(=O)C(C)(C)C)n1 | CCc1noc(CN(C)C(=O)c2ccccc2NC(=O)C(C)(C)C)n1 | (CCN |
<|startoftext|><L>Cn1ccnc1SCC(=O)N<mask_1:1>cc(F)c(F)c1F<mask_1:1> | 3 | 16 | 1 | c1c | 1 | Cn1ccnc1SCC(=O)N1cc(F)c(F)c1F | Cn1ccnc1SCC(=O)Nc1ccc(F)c(F)c1F | 1 |
<|startoftext|><L>Cn1ccnc1SCC(=O<mask_1:3>Nc1ccc(F)c(F)c1F<mask_1:3> | 1 | 14 | 3 | ) | 3 | Cn1ccnc1SCC(=O)NCNc1ccc(F)c(F)c1F | Cn1ccnc1SCC(=O)Nc1ccc(F)c(F)c1F | )NC |
<|startoftext|><L>Cn1ccnc1SCC(=O)Nc<mask_1:2>(F)c(F)c1F<mask_1:2> | 4 | 17 | 2 | 1ccc | 2 | Cn1ccnc1SCC(=O)Nc1c(F)c(F)c1F | Cn1ccnc1SCC(=O)Nc1ccc(F)c(F)c1F | 1c |
<|startoftext|><L>Cn1ccnc1SCC(=O)N<mask_1:4>ccc(F)c(F)c1F<mask_1:4> | 2 | 16 | 4 | c1 | 4 | Cn1ccnc1SCC(=O)NCCc1ccc(F)c(F)c1F | Cn1ccnc1SCC(=O)Nc1ccc(F)c(F)c1F | CCc1 |
<|startoftext|><L>Cn1ccnc1SCC(=O)Nc1ccc(<mask_1:2>(F)c1F<mask_1:2> | 3 | 22 | 2 | F)c | 2 | Cn1ccnc1SCC(=O)Nc1ccc(F)(F)c1F | Cn1ccnc1SCC(=O)Nc1ccc(F)c(F)c1F | F) |
<|startoftext|><L>Cn1ccnc1SCC(=O)Nc1ccc(F)c<mask_1:4>c1F<mask_1:4> | 3 | 25 | 4 | (F) | 4 | Cn1ccnc1SCC(=O)Nc1ccc(F)c(Cl)c1F | Cn1ccnc1SCC(=O)Nc1ccc(F)c(F)c1F | (Cl) |
<|startoftext|><L>Cn1ccnc1SCC(=O)Nc1ccc(F)c(F<mask_1:3>1F<mask_1:3> | 2 | 27 | 3 | )c | 2 | Cn1ccnc1SCC(=O)Nc1ccc(F)c(F)c1F | Cn1ccnc1SCC(=O)Nc1ccc(F)c(F)c1F | )c |
<|startoftext|><L>Cn1ccnc1SC<mask_1:3>(=O)Nc1ccc(F)c(F)c1F<mask_1:3> | 1 | 10 | 3 | C | 3 | Cn1ccnc1SCCNC(=O)Nc1ccc(F)c(F)c1F | Cn1ccnc1SCC(=O)Nc1ccc(F)c(F)c1F | CNC |
<|startoftext|><L>Cn1ccnc1<mask_1:3>CC(=O)Nc1ccc(F)c(F)c1F<mask_1:3> | 1 | 8 | 3 | S | 3 | Cn1ccnc1SCCCC(=O)Nc1ccc(F)c(F)c1F | Cn1ccnc1SCC(=O)Nc1ccc(F)c(F)c1F | SCC |
<|startoftext|><L>Cn1ccnc1SCC(<mask_1:3>)Nc1ccc(F)c(F)c1F<mask_1:3> | 2 | 12 | 3 | =O | 3 | Cn1ccnc1SCC(C#N)Nc1ccc(F)c(F)c1F | Cn1ccnc1SCC(=O)Nc1ccc(F)c(F)c1F | C#N |
<|startoftext|><L><mask_1:8>COc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1<mask_1:8> | 4 | 0 | 8 | O=C( | 8 | C[C@@H](COc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 | O=C(COc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 | C[C@@H]( |
<|startoftext|><L>O=C(<mask_1:4>1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1<mask_1:4> | 3 | 4 | 4 | COc | 4 | O=C(CCNc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 | O=C(COc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 | CCNc |
<|startoftext|><L>O=C(COc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc<mask_1:4>)cc2[N+](=O)[O-])CC1<mask_1:4> | 9 | 34 | 4 | (C(F)(F)F | 4 | O=C(COc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(C=O)cc2[N+](=O)[O-])CC1 | O=C(COc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 | (C=O |
<|startoftext|><L>O=C(COc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(C<mask_1:4>F)cc2[N+](=O)[O-])CC1<mask_1:4> | 6 | 36 | 4 | (F)(F) | 4 | O=C(COc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(CC(F)F)cc2[N+](=O)[O-])CC1 | O=C(COc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 | C(F) |
<|startoftext|><L>O=C(C<mask_1:4>(Cl)c(Cl)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1<mask_1:4> | 6 | 5 | 4 | Oc1ccc | 4 | O=C(Cn1cc(Cl)c(Cl)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 | O=C(COc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 | n1cc |
<|startoftext|><L>O=C(COc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(C(F)(F)F)cc2<mask_1:1>[N+](=O)[O-])CC1<mask_1:1> | 0 | 47 | 1 | 1 | O=C(COc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(C(F)(F)F)cc2N[N+](=O)[O-])CC1 | O=C(COc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 | N |
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<|startoftext|><L>O=C(COc1ccc(Cl)c(Cl)c1)N1C<mask_1:7>cc(C(F)(F)F)cc2[N+](=O)[O-])CC1<mask_1:7> | 6 | 26 | 7 | CN(c2c | 7 | O=C(COc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 | O=C(COc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 | CN(Cc2c |
<|startoftext|><L>O=C(<mask_1:9>Cl)c(Cl)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1<mask_1:9> | 8 | 4 | 9 | COc1ccc( | 9 | O=C(COc1ccc(CCl)c(Cl)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 | O=C(COc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 | COc1ccc(C |
<|startoftext|><L>O=C(COc1<mask_1:7>(Cl)c(Cl)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1<mask_1:7> | 3 | 8 | 7 | ccc | 7 | O=C(COc1cc(Cl)c(Cl)c(Cl)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 | O=C(COc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 | cc(Cl)c |
<|startoftext|><L>O=C(COc1ccc(Cl)c(Cl)c1<mask_1:7>CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1<mask_1:7> | 4 | 22 | 7 | )N1C | 7 | O=C(COc1ccc(Cl)c(Cl)c1)NCCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 | O=C(COc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 | )NCCN1C |
<|startoftext|><L>O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1C<mask_1:3>=O)N(C2CCCC2)C1<mask_1:3> | 2 | 31 | 3 | C( | 3 | O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CCC(=O)N(C2CCCC2)C1 | O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CC(=O)N(C2CCCC2)C1 | CC( |
<|startoftext|><L>O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CC<mask_1:1>N(C2CCCC2)C1<mask_1:1> | 4 | 32 | 1 | (=O) | 1 | O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CCCN(C2CCCC2)C1 | O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CC(=O)N(C2CCCC2)C1 | C |
<|startoftext|><L>O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CC(=O)N(C<mask_1:3>2CCCC2)C1<mask_1:3> | 0 | 39 | 3 | 3 | O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CC(=O)N(CCCN2CCCC2)C1 | O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CC(=O)N(C2CCCC2)C1 | CCN |
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<|startoftext|><L>O=C(Nc1nc(-c2cccs2)cs1)<mask_1:5>C@@H]1CC(=O)N(C2CCCC2)C1<mask_1:5> | 1 | 23 | 5 | [ | 5 | O=C(Nc1nc(-c2cccs2)cs1)N(C)[C@@H]1CC(=O)N(C2CCCC2)C1 | O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CC(=O)N(C2CCCC2)C1 | N(C)[ |
<|startoftext|><L>O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CC(=O)N(C<mask_1:3>C1<mask_1:3> | 7 | 39 | 3 | 2CCCC2) | 3 | O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CC(=O)N(CCO)C1 | O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CC(=O)N(C2CCCC2)C1 | CO) |
<|startoftext|><L><mask_1:6>Nc1nc(-c2cccs2)cs1)[C@@H]1CC(=O)N(C2CCCC2)C1<mask_1:6> | 4 | 0 | 6 | O=C( | 6 | O=C(NCNc1nc(-c2cccs2)cs1)[C@@H]1CC(=O)N(C2CCCC2)C1 | O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CC(=O)N(C2CCCC2)C1 | O=C(NC |
<|startoftext|><L>O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CC(=O)N(C2<mask_1:1>C2)C1<mask_1:1> | 3 | 40 | 1 | CCC | 1 | O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CC(=O)N(C2CC2)C1 | O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CC(=O)N(C2CCCC2)C1 | C |
<|startoftext|><L>O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CC(=O)N(C2CC<mask_1:6>2)C1<mask_1:6> | 2 | 42 | 6 | CC | 6 | O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CC(=O)N(C2CCN(C)CC2)C1 | O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CC(=O)N(C2CCCC2)C1 | N(C)CC |
<|startoftext|><L>O=C(Nc1nc(-c2cccs2)cs1)[C@<mask_1:7>1CC(=O)N(C2CCCC2)C1<mask_1:7> | 3 | 26 | 7 | @H] | 7 | O=C(Nc1nc(-c2cccs2)cs1)[C@@H](O)N1CC(=O)N(C2CCCC2)C1 | O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CC(=O)N(C2CCCC2)C1 | @H](O)N |
<|startoftext|><L>O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CC(=O)N(C2CC<mask_1:7>C1<mask_1:7> | 4 | 42 | 7 | CC2) | 7 | O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CC(=O)N(C2CCCCCC2)CC1 | O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CC(=O)N(C2CCCC2)C1 | CCCC2)C |