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stringlengths 49
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| first_mask_count
int64 0
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| first_start_index
int64 0
216
| 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>CNC(=O)[C@@H](C)N(Cc1ccc(OC)c<mask_1:7>)C(=O)Cc1ccc(Cl)cc1<mask_1:7> | 2 | 29 | 7 | c1 | 7 | CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)C(=O)Cc1ccc(Cl)cc1 | CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1 | c1)C(=O |
<|startoftext|><L>CNC(=O)[C@@H](C)N(Cc<mask_1:5>C)cc1)C(=O)Cc1ccc(Cl)cc1<mask_1:5> | 6 | 20 | 5 | 1ccc(O | 5 | CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1 | CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1 | 1ccc( |
<|startoftext|><L>CNC(<mask_1:5>C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1<mask_1:5> | 4 | 4 | 5 | =O)[ | 5 | CNC(=O)C[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1 | CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1 | =O)C[ |
<|startoftext|><L>CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)C<mask_1:2>1ccc(Cl)cc1<mask_1:2> | 1 | 38 | 2 | c | 2 | CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CSc1ccc(Cl)cc1 | CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1 | Sc |
<|startoftext|><L>CNC(=O)[C@@<mask_1:7>(C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1<mask_1:7> | 2 | 11 | 7 | H] | 7 | CNC(=O)[C@@H](CC)N(C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1 | CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1 | H](CC)N |
<|startoftext|><L>CNC(=O)[C@@H](C)N(C<mask_1:3>(OC)cc1)C(=O)Cc1ccc(Cl)cc1<mask_1:3> | 5 | 19 | 3 | c1ccc | 3 | CNC(=O)[C@@H](C)N(C1cc(OC)cc1)C(=O)Cc1ccc(Cl)cc1 | CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1 | 1cc |
<|startoftext|><L>CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1<mask_1:3>cc1<mask_1:3> | 7 | 40 | 3 | ccc(Cl) | 3 | CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 | CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1 | ccc |
<|startoftext|><L>CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc<mask_1:5>=O)Cc1ccc(Cl)cc1<mask_1:5> | 4 | 30 | 5 | 1)C( | 5 | CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(C=O)Cc1ccc(Cl)cc1 | CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1 | 1)C(C |
<|startoftext|><L>CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C<mask_1:3>(=O)Cc1ccc(Cl)cc1<mask_1:3> | 0 | 33 | 3 | 3 | CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)CCNC(=O)Cc1ccc(Cl)cc1 | CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1 | CNC |
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<|startoftext|><L>CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1<mask_1:3>c1ccc(Cl)cc1<mask_1:3> | 7 | 31 | 3 | )C(=O)C | 3 | CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1Cl)c1ccc(Cl)cc1 | CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1 | Cl) |
<|startoftext|><L>N#Cc1cc<mask_1:2>C(=O)N2CCOCC2)cc1<mask_1:2> | 3 | 7 | 2 | c(O | 2 | N#Cc1ccc(C(=O)N2CCOCC2)cc1 | N#Cc1ccc(OC(=O)N2CCOCC2)cc1 | c( |
<|startoftext|><L>N#Cc1ccc(OC(=O)N2CCOC<mask_1:1>)cc1<mask_1:1> | 2 | 21 | 1 | C2 | 1 | N#Cc1ccc(OC(=O)N2CCOC2)cc1 | N#Cc1ccc(OC(=O)N2CCOCC2)cc1 | 2 |
<|startoftext|><L>N#Cc1<mask_1:3>OC(=O)N2CCOCC2)cc1<mask_1:3> | 4 | 5 | 3 | ccc( | 3 | N#Cc1sc(OC(=O)N2CCOCC2)cc1 | N#Cc1ccc(OC(=O)N2CCOCC2)cc1 | sc( |
<|startoftext|><L>N#Cc1ccc(<mask_1:4>=O)N2CCOCC2)cc1<mask_1:4> | 3 | 9 | 4 | OC( | 4 | N#Cc1ccc(OCC(=O)N2CCOCC2)cc1 | N#Cc1ccc(OC(=O)N2CCOCC2)cc1 | OCC( |
<|startoftext|><L>N#Cc1ccc(OC(=O)N2CCO<mask_1:1>2)cc1<mask_1:1> | 2 | 20 | 1 | CC | 1 | N#Cc1ccc(OC(=O)N2CCOC2)cc1 | N#Cc1ccc(OC(=O)N2CCOCC2)cc1 | C |
<|startoftext|><L>N#Cc1ccc(OC(=O<mask_1:4>CCOCC2)cc1<mask_1:4> | 3 | 14 | 4 | )N2 | 4 | N#Cc1ccc(OC(=O)CN2CCOCC2)cc1 | N#Cc1ccc(OC(=O)N2CCOCC2)cc1 | )CN2 |
<|startoftext|><L>N#Cc1ccc(O<mask_1:2>O)N2CCOCC2)cc1<mask_1:2> | 3 | 10 | 2 | C(= | 2 | N#Cc1ccc(OC(O)N2CCOCC2)cc1 | N#Cc1ccc(OC(=O)N2CCOCC2)cc1 | C( |
<|startoftext|><L>N#Cc1ccc(OC(=O)N2CCOCC2<mask_1:2>cc1<mask_1:2> | 1 | 23 | 2 | ) | 2 | N#Cc1ccc(OC(=O)N2CCOCC2F)cc1 | N#Cc1ccc(OC(=O)N2CCOCC2)cc1 | F) |
<|startoftext|><L>N#Cc1ccc(OC(=O)N2CCO<mask_1:4>2)cc1<mask_1:4> | 2 | 20 | 4 | CC | 4 | N#Cc1ccc(OC(=O)N2CCOC=CC2)cc1 | N#Cc1ccc(OC(=O)N2CCOCC2)cc1 | C=CC |
<|startoftext|><L>N#Cc1ccc(OC(=O)<mask_1:2>OCC2)cc1<mask_1:2> | 4 | 15 | 2 | N2CC | 2 | N#Cc1ccc(OC(=O)C2OCC2)cc1 | N#Cc1ccc(OC(=O)N2CCOCC2)cc1 | C2 |
<|startoftext|><L>O=C<mask_1:7>SCc1ccc([N+](=O)[O-])cc1)Nc1nnc(SCc2ccccc2)s1<mask_1:7> | 2 | 3 | 7 | (C | 7 | O=C(CCC#CCSCc1ccc([N+](=O)[O-])cc1)Nc1nnc(SCc2ccccc2)s1 | O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1nnc(SCc2ccccc2)s1 | (CCC#CC |
<|startoftext|><L>O=C(CSCc1ccc([N+](=O)[O-]<mask_1:6>1)Nc1nnc(SCc2ccccc2)s1<mask_1:6> | 3 | 25 | 6 | )cc | 6 | O=C(CSCc1ccc([N+](=O)[O-])c(F)c1)Nc1nnc(SCc2ccccc2)s1 | O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1nnc(SCc2ccccc2)s1 | )c(F)c |
<|startoftext|><L>O=C(CSCc1ccc([N+<mask_1:6>[O-])cc1)Nc1nnc(SCc2ccccc2)s1<mask_1:6> | 5 | 16 | 6 | ](=O) | 6 | O=C(CSCc1ccc([N+](=O)C[O-])cc1)Nc1nnc(SCc2ccccc2)s1 | O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1nnc(SCc2ccccc2)s1 | ](=O)C |
<|startoftext|><L>O=C(CSCc1ccc([N+](<mask_1:7>])cc1)Nc1nnc(SCc2ccccc2)s1<mask_1:7> | 6 | 18 | 7 | =O)[O- | 6 | O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1nnc(SCc2ccccc2)s1 | O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1nnc(SCc2ccccc2)s1 | =O)[O- |
<|startoftext|><L>O=C(CSCc1ccc([N+](=O)[O-])c<mask_1:7>Nc1nnc(SCc2ccccc2)s1<mask_1:7> | 3 | 27 | 7 | c1) | 7 | O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCCNc1nnc(SCc2ccccc2)s1 | O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1nnc(SCc2ccccc2)s1 | c1)NCCC |
<|startoftext|><L>O=C(CSCc1ccc([N+](=O)[O-])cc<mask_1:7>nnc(SCc2ccccc2)s1<mask_1:7> | 5 | 28 | 7 | 1)Nc1 | 7 | O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCc1nnc(SCc2ccccc2)s1 | O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1nnc(SCc2ccccc2)s1 | 1)NCCc1 |
<|startoftext|><L>O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1nnc(SCc2cc<mask_1:7>s1<mask_1:7> | 5 | 43 | 7 | ccc2) | 7 | O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1nnc(SCc2ccccc2Cl)s1 | O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1nnc(SCc2ccccc2)s1 | ccc2Cl) |
<|startoftext|><L>O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1nnc(<mask_1:6>2ccccc2)s1<mask_1:6> | 3 | 37 | 6 | SCc | 6 | O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1nnc(/C=C/c2ccccc2)s1 | O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1nnc(SCc2ccccc2)s1 | /C=C/c |
<|startoftext|><L>O=C(CSCc1ccc([N+](=O)[O-])cc1<mask_1:7>)Nc1nnc(SCc2ccccc2)s1<mask_1:7> | 0 | 29 | 7 | 7 | O=C(CSCc1ccc([N+](=O)[O-])cc1)OCC(=O)Nc1nnc(SCc2ccccc2)s1 | O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1nnc(SCc2ccccc2)s1 | )OCC(=O |
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<|startoftext|><L>O=C(CSCc1c<mask_1:4>([N+](=O)[O-])cc1)Nc1nnc(SCc2ccccc2)s1<mask_1:4> | 2 | 10 | 4 | cc | 4 | O=C(CSCc1cc(O)([N+](=O)[O-])cc1)Nc1nnc(SCc2ccccc2)s1 | O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1nnc(SCc2ccccc2)s1 | c(O) |
<|startoftext|><L>CC(=O)Nc1ccc(C<mask_1:6>C([C@H]3CCCCN(CCc4ccccc4)C3=O)CC2)cc1<mask_1:6> | 4 | 14 | 6 | N2CC | 6 | CC(=O)Nc1ccc(C(=O)N2C([C@H]3CCCCN(CCc4ccccc4)C3=O)CC2)cc1 | CC(=O)Nc1ccc(CN2CCC([C@H]3CCCCN(CCc4ccccc4)C3=O)CC2)cc1 | (=O)N2 |
<|startoftext|><L>CC(=O)Nc1ccc(CN2CCC([C@H]3CCCCN(CCc4ccccc4<mask_1:5>C2)cc1<mask_1:5> | 7 | 42 | 5 | )C3=O)C | 5 | CC(=O)Nc1ccc(CN2CCC([C@H]3CCCCN(CCc4ccccc4)C3)CC2)cc1 | CC(=O)Nc1ccc(CN2CCC([C@H]3CCCCN(CCc4ccccc4)C3=O)CC2)cc1 | )C3)C |
<|startoftext|><L>CC(=O)Nc1ccc(CN2CCC([C@H]3CCCC<mask_1:8>cccc4)C3=O)CC2)cc1<mask_1:8> | 7 | 30 | 8 | N(CCc4c | 8 | CC(=O)Nc1ccc(CN2CCC([C@H]3CCCCN(CCOc4ccccc4)C3=O)CC2)cc1 | CC(=O)Nc1ccc(CN2CCC([C@H]3CCCCN(CCc4ccccc4)C3=O)CC2)cc1 | N(CCOc4c |
<|startoftext|><L>CC(=O)Nc1ccc(CN2CCC([C@H]3C<mask_1:7>CCc4ccccc4)C3=O)CC2)cc1<mask_1:7> | 5 | 27 | 7 | CCCN( | 7 | CC(=O)Nc1ccc(CN2CCC([C@H]3CC(=O)N(CCc4ccccc4)C3=O)CC2)cc1 | CC(=O)Nc1ccc(CN2CCC([C@H]3CCCCN(CCc4ccccc4)C3=O)CC2)cc1 | C(=O)N( |
<|startoftext|><L>CC(=O)<mask_1:6>Nc1ccc(CN2CCC([C@H]3CCCCN(CCc4ccccc4)C3=O)CC2)cc1<mask_1:6> | 0 | 6 | 6 | 6 | CC(=O)CC(=O)Nc1ccc(CN2CCC([C@H]3CCCCN(CCc4ccccc4)C3=O)CC2)cc1 | CC(=O)Nc1ccc(CN2CCC([C@H]3CCCCN(CCc4ccccc4)C3=O)CC2)cc1 | CC(=O) |
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<|startoftext|><L>CC(=O)Nc1ccc(CN2CCC([<mask_1:8>CCCN(CCc4ccccc4)C3=O)CC2)cc1<mask_1:8> | 6 | 21 | 8 | C@H]3C | 8 | CC(=O)Nc1ccc(CN2CCC([C@@]3(C)CCCN(CCc4ccccc4)C3=O)CC2)cc1 | CC(=O)Nc1ccc(CN2CCC([C@H]3CCCCN(CCc4ccccc4)C3=O)CC2)cc1 | C@@]3(C) |
<|startoftext|><L>CC(=<mask_1:4>Nc1ccc(CN2CCC([C@H]3CCCCN(CCc4ccccc4)C3=O)CC2)cc1<mask_1:4> | 2 | 4 | 4 | O) | 4 | CC(=O)NCNc1ccc(CN2CCC([C@H]3CCCCN(CCc4ccccc4)C3=O)CC2)cc1 | CC(=O)Nc1ccc(CN2CCC([C@H]3CCCCN(CCc4ccccc4)C3=O)CC2)cc1 | O)NC |
<|startoftext|><L>CC(=O)Nc1ccc(CN2CCC([C@H]3CCCCN<mask_1:8>4ccccc4)C3=O)CC2)cc1<mask_1:8> | 4 | 31 | 8 | (CCc | 8 | CC(=O)Nc1ccc(CN2CCC([C@H]3CCCCN(C(=O)Cc4ccccc4)C3=O)CC2)cc1 | CC(=O)Nc1ccc(CN2CCC([C@H]3CCCCN(CCc4ccccc4)C3=O)CC2)cc1 | (C(=O)Cc |
<|startoftext|><L>CC(=O)Nc1ccc(CN2CCC([C@H]3CCC<mask_1:6>ccccc4)C3=O)CC2)cc1<mask_1:6> | 7 | 29 | 6 | CN(CCc4 | 6 | CC(=O)Nc1ccc(CN2CCC([C@H]3CCCN(CCc4ccccc4)C3=O)CC2)cc1 | CC(=O)Nc1ccc(CN2CCC([C@H]3CCCCN(CCc4ccccc4)C3=O)CC2)cc1 | N(CCc4 |
<|startoftext|><L>CC(=O)Nc1ccc(CN2CCC([C@H]3CCCCN(CCc4ccccc4)C3<mask_1:2>C2)cc1<mask_1:2> | 4 | 45 | 2 | =O)C | 2 | CC(=O)Nc1ccc(CN2CCC([C@H]3CCCCN(CCc4ccccc4)C3)CC2)cc1 | CC(=O)Nc1ccc(CN2CCC([C@H]3CCCCN(CCc4ccccc4)C3=O)CC2)cc1 | )C |
<|startoftext|><L>Cc1cccc(-n2cc(CN3CCO[C@H](<mask_1:2>3)cn2)c1<mask_1:2> | 4 | 26 | 2 | CN)C | 2 | Cc1cccc(-n2cc(CN3CCO[C@H](C)3)cn2)c1 | Cc1cccc(-n2cc(CN3CCO[C@H](CN)C3)cn2)c1 | C) |
<|startoftext|><L><mask_1:2>c1cccc(-n2cc(CN3CCO[C@H](CN)C3)cn2)c1<mask_1:2> | 1 | 0 | 2 | C | 2 | COc1cccc(-n2cc(CN3CCO[C@H](CN)C3)cn2)c1 | Cc1cccc(-n2cc(CN3CCO[C@H](CN)C3)cn2)c1 | CO |
<|startoftext|><L>Cc1cccc<mask_1:5>cc(CN3CCO[C@H](CN)C3)cn2)c1<mask_1:5> | 4 | 7 | 5 | (-n2 | 5 | Cc1cccc(-c2ncc(CN3CCO[C@H](CN)C3)cn2)c1 | Cc1cccc(-n2cc(CN3CCO[C@H](CN)C3)cn2)c1 | (-c2n |
<|startoftext|><L>Cc1c<mask_1:4>n2cc(CN3CCO[C@H](CN)C3)cn2)c1<mask_1:4> | 5 | 4 | 4 | ccc(- | 4 | Cc1cccc(n2cc(CN3CCO[C@H](CN)C3)cn2)c1 | Cc1cccc(-n2cc(CN3CCO[C@H](CN)C3)cn2)c1 | ccc( |
<|startoftext|><L>Cc1cccc(-n2cc(CN3CC<mask_1:4>@H](CN)C3)cn2)c1<mask_1:4> | 3 | 19 | 4 | O[C | 4 | Cc1cccc(-n2cc(CN3CCO[C@@H](CN)C3)cn2)c1 | Cc1cccc(-n2cc(CN3CCO[C@H](CN)C3)cn2)c1 | O[C@ |
<|startoftext|><L>Cc1cccc(-n2cc(CN3CCO[C@H](<mask_1:2>CN)C3)cn2)c1<mask_1:2> | 0 | 26 | 2 | 2 | Cc1cccc(-n2cc(CN3CCO[C@H](CCCN)C3)cn2)c1 | Cc1cccc(-n2cc(CN3CCO[C@H](CN)C3)cn2)c1 | CC |
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<|startoftext|><L>C<mask_1:5>ccc(-n2cc(CN3CCO[C@H](CN)C3)cn2)c1<mask_1:5> | 3 | 1 | 5 | c1c | 5 | CCOc1cccc(-n2cc(CN3CCO[C@H](CN)C3)cn2)c1 | Cc1cccc(-n2cc(CN3CCO[C@H](CN)C3)cn2)c1 | COc1c |
<|startoftext|><L>Cc1cccc(-n2cc(C<mask_1:2>N3CCO[C@H](CN)C3)cn2)c1<mask_1:2> | 0 | 15 | 2 | 2 | Cc1cccc(-n2cc(CCCN3CCO[C@H](CN)C3)cn2)c1 | Cc1cccc(-n2cc(CN3CCO[C@H](CN)C3)cn2)c1 | CC |
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<|startoftext|><L>Cc1cccc(<mask_1:5>2cc(CN3CCO[C@H](CN)C3)cn2)c1<mask_1:5> | 2 | 8 | 5 | -n | 5 | Cc1cccc(OCCCn2cc(CN3CCO[C@H](CN)C3)cn2)c1 | Cc1cccc(-n2cc(CN3CCO[C@H](CN)C3)cn2)c1 | OCCCn |
<|startoftext|><L>Cc1cccc(<mask_1:5>c(CN3CCO[C@H](CN)C3)cn2)c1<mask_1:5> | 4 | 8 | 5 | -n2c | 5 | Cc1cccc(Oc2ncc(CN3CCO[C@H](CN)C3)cn2)c1 | Cc1cccc(-n2cc(CN3CCO[C@H](CN)C3)cn2)c1 | Oc2nc |
<|startoftext|><L>C#CCC(C<mask_1:3>(C)C(=O)Nc1ccccc1O<mask_1:3> | 1 | 7 | 3 | ) | 3 | C#CCC(CC)N(C)C(=O)Nc1ccccc1O | C#CCC(C)(C)C(=O)Nc1ccccc1O | C)N |
<|startoftext|><L>C#CCC(C)(C)C(=O)N<mask_1:2>1ccccc1O<mask_1:2> | 1 | 17 | 2 | c | 2 | C#CCC(C)(C)C(=O)NCc1ccccc1O | C#CCC(C)(C)C(=O)Nc1ccccc1O | Cc |
<|startoftext|><L>C#CCC(C)(C)C(=O<mask_1:2>1ccccc1O<mask_1:2> | 3 | 15 | 2 | )Nc | 2 | C#CCC(C)(C)C(=O)c1ccccc1O | C#CCC(C)(C)C(=O)Nc1ccccc1O | )c |
<|startoftext|><L>C#CCC(C)(C)C<mask_1:3>=O)Nc1ccccc1O<mask_1:3> | 1 | 12 | 3 | ( | 3 | C#CCC(C)(C)CNC(=O)Nc1ccccc1O | C#CCC(C)(C)C(=O)Nc1ccccc1O | NC( |
<|startoftext|><L><mask_1:3>CCC(C)(C)C(=O)Nc1ccccc1O<mask_1:3> | 2 | 0 | 3 | C# | 3 | C=CCCC(C)(C)C(=O)Nc1ccccc1O | C#CCC(C)(C)C(=O)Nc1ccccc1O | C=C |
<|startoftext|><L>C#CCC(C)(C)C(=O)<mask_1:1>1ccccc1O<mask_1:1> | 2 | 16 | 1 | Nc | 1 | C#CCC(C)(C)C(=O)c1ccccc1O | C#CCC(C)(C)C(=O)Nc1ccccc1O | c |
<|startoftext|><L>C#CCC(C)<mask_1:2>C)C(=O)Nc1ccccc1O<mask_1:2> | 1 | 8 | 2 | ( | 2 | C#CCC(C)(CC)C(=O)Nc1ccccc1O | C#CCC(C)(C)C(=O)Nc1ccccc1O | (C |
<|startoftext|><L>C#CCC(C)(C)<mask_1:3>C(=O)Nc1ccccc1O<mask_1:3> | 0 | 11 | 3 | 3 | C#CCC(C)(C)NCCC(=O)Nc1ccccc1O | C#CCC(C)(C)C(=O)Nc1ccccc1O | NCC |
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<|startoftext|><L>C#CCC(C)(C)<mask_1:2>O)Nc1ccccc1O<mask_1:2> | 3 | 11 | 2 | C(= | 2 | C#CCC(C)(C)C(O)Nc1ccccc1O | C#CCC(C)(C)C(=O)Nc1ccccc1O | C( |
<|startoftext|><L>C#CCC(C)(C)C(=O<mask_1:2>1ccccc1O<mask_1:2> | 3 | 15 | 2 | )Nc | 2 | C#CCC(C)(C)C(=O)c1ccccc1O | C#CCC(C)(C)C(=O)Nc1ccccc1O | )c |
<|startoftext|><L>C<mask_1:5>ccc(OC)c(/C=C2\SC(=N)N(c3ccc(F)cc3)C2=O)c1<mask_1:5> | 3 | 1 | 5 | Oc1 | 5 | CCCOc1ccc(OC)c(/C=C2\SC(=N)N(c3ccc(F)cc3)C2=O)c1 | COc1ccc(OC)c(/C=C2\SC(=N)N(c3ccc(F)cc3)C2=O)c1 | CCOc1 |
<|startoftext|><L>COc1ccc(OC)c(/C=C2\SC(=N)N(c3cc<mask_1:1>3)C2=O)c1<mask_1:1> | 6 | 31 | 1 | c(F)cc | 2 | COc1ccc(OC)c(/C=C2\SC(=N)N(c3cccs3)C2=O)c1 | COc1ccc(OC)c(/C=C2\SC(=N)N(c3ccc(F)cc3)C2=O)c1 | cs |
<|startoftext|><L>COc1ccc<mask_1:4>(/C=C2\SC(=N)N(c3ccc(F)cc3)C2=O)c1<mask_1:4> | 5 | 7 | 4 | (OC)c | 4 | COc1ccc(C)c(/C=C2\SC(=N)N(c3ccc(F)cc3)C2=O)c1 | COc1ccc(OC)c(/C=C2\SC(=N)N(c3ccc(F)cc3)C2=O)c1 | (C)c |
<|startoftext|><L>COc1ccc(OC)<mask_1:3>C2\SC(=N)N(c3ccc(F)cc3)C2=O)c1<mask_1:3> | 5 | 11 | 3 | c(/C= | 3 | COc1ccc(OC)(/CC2\SC(=N)N(c3ccc(F)cc3)C2=O)c1 | COc1ccc(OC)c(/C=C2\SC(=N)N(c3ccc(F)cc3)C2=O)c1 | (/C |
<|startoftext|><L>COc1ccc(OC)c(/C=C2\SC(=N)N(c3ccc(F)<mask_1:5>)C2=O)c1<mask_1:5> | 3 | 35 | 5 | cc3 | 5 | COc1ccc(OC)c(/C=C2\SC(=N)N(c3ccc(F)cc3Cl)C2=O)c1 | COc1ccc(OC)c(/C=C2\SC(=N)N(c3ccc(F)cc3)C2=O)c1 | cc3Cl |
<|startoftext|><L><mask_1:2>c(OC)c(/C=C2\SC(=N)N(c3ccc(F)cc3)C2=O)c1<mask_1:2> | 6 | 0 | 2 | COc1cc | 2 | c1c(OC)c(/C=C2\SC(=N)N(c3ccc(F)cc3)C2=O)c1 | COc1ccc(OC)c(/C=C2\SC(=N)N(c3ccc(F)cc3)C2=O)c1 | c1 |
<|startoftext|><L>COc1ccc(OC)<mask_1:2>(/C=C2\SC(=N)N(c3ccc(F)cc3)C2=O)c1<mask_1:2> | 1 | 11 | 2 | c | 1 | COc1ccc(OC)c(/C=C2\SC(=N)N(c3ccc(F)cc3)C2=O)c1 | COc1ccc(OC)c(/C=C2\SC(=N)N(c3ccc(F)cc3)C2=O)c1 | c |
<|startoftext|><L>COc1ccc(OC)c(/C=C2\SC(=N)N(c3ccc(F)cc3)C<mask_1:4>=O)c1<mask_1:4> | 1 | 40 | 4 | 2 | 4 | COc1ccc(OC)c(/C=C2\SC(=N)N(c3ccc(F)cc3)C2)c(=O)c1 | COc1ccc(OC)c(/C=C2\SC(=N)N(c3ccc(F)cc3)C2=O)c1 | 2)c( |
<|startoftext|><L>COc1ccc(OC)c(/C=C2\<mask_1:5>N(c3ccc(F)cc3)C2=O)c1<mask_1:5> | 6 | 19 | 5 | SC(=N) | 6 | COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1 | COc1ccc(OC)c(/C=C2\SC(=N)N(c3ccc(F)cc3)C2=O)c1 | SC(=S) |
<|startoftext|><L>COc1ccc(OC)c(/C=C2\SC(=N)N(c3<mask_1:2>F)cc3)C2=O)c1<mask_1:2> | 4 | 29 | 2 | ccc( | 2 | COc1ccc(OC)c(/C=C2\SC(=N)N(c3c(F)cc3)C2=O)c1 | COc1ccc(OC)c(/C=C2\SC(=N)N(c3ccc(F)cc3)C2=O)c1 | c( |
<|startoftext|><L>Cc1cc(C)c2oc(-c3ccc(C<mask_1:2>(-n4cnnc4)c3)nc2c1<mask_1:2> | 3 | 21 | 2 | l)c | 2 | Cc1cc(C)c2oc(-c3ccc(C)c(-n4cnnc4)c3)nc2c1 | Cc1cc(C)c2oc(-c3ccc(Cl)c(-n4cnnc4)c3)nc2c1 | )c |
<|startoftext|><L><mask_1:3>1cc(C)c2oc(-c3ccc(Cl)c(-n4cnnc4)c3)nc2c1<mask_1:3> | 2 | 0 | 3 | Cc | 3 | CCc1cc(C)c2oc(-c3ccc(Cl)c(-n4cnnc4)c3)nc2c1 | Cc1cc(C)c2oc(-c3ccc(Cl)c(-n4cnnc4)c3)nc2c1 | CCc |
<|startoftext|><L><mask_1:6>c1cc(C)c2oc(-c3ccc(Cl)c(-n4cnnc4)c3)nc2c1<mask_1:6> | 1 | 0 | 6 | C | 6 | O=C(O)c1cc(C)c2oc(-c3ccc(Cl)c(-n4cnnc4)c3)nc2c1 | Cc1cc(C)c2oc(-c3ccc(Cl)c(-n4cnnc4)c3)nc2c1 | O=C(O) |
<|startoftext|><L>Cc1cc(C)c2oc(-c3cc<mask_1:3>)c(-n4cnnc4)c3)nc2c1<mask_1:3> | 4 | 18 | 3 | c(Cl | 3 | Cc1cc(C)c2oc(-c3ccc(C)c(-n4cnnc4)c3)nc2c1 | Cc1cc(C)c2oc(-c3ccc(Cl)c(-n4cnnc4)c3)nc2c1 | c(C |
<|startoftext|><L>Cc1cc(C)c2oc(-c3c<mask_1:2>c(-n4cnnc4)c3)nc2c1<mask_1:2> | 6 | 17 | 2 | cc(Cl) | 2 | Cc1cc(C)c2oc(-c3cccc(-n4cnnc4)c3)nc2c1 | Cc1cc(C)c2oc(-c3ccc(Cl)c(-n4cnnc4)c3)nc2c1 | cc |
<|startoftext|><L><mask_1:1>Cc1cc(C)c2oc(-c3ccc(Cl)c(-n4cnnc4)c3)nc2c1<mask_1:1> | 0 | 0 | 1 | 1 | CCc1cc(C)c2oc(-c3ccc(Cl)c(-n4cnnc4)c3)nc2c1 | Cc1cc(C)c2oc(-c3ccc(Cl)c(-n4cnnc4)c3)nc2c1 | C |
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<|startoftext|><L>Cc1cc(C)c2o<mask_1:5>-c3ccc(Cl)c(-n4cnnc4)c3)nc2c1<mask_1:5> | 2 | 11 | 5 | c( | 5 | Cc1cc(C)c2oc(CCN-c3ccc(Cl)c(-n4cnnc4)c3)nc2c1 | Cc1cc(C)c2oc(-c3ccc(Cl)c(-n4cnnc4)c3)nc2c1 | c(CCN |
<|startoftext|><L>C<mask_1:1>c1cc(C)c2oc(-c3ccc(Cl)c(-n4cnnc4)c3)nc2c1<mask_1:1> | 0 | 1 | 1 | 1 | COc1cc(C)c2oc(-c3ccc(Cl)c(-n4cnnc4)c3)nc2c1 | Cc1cc(C)c2oc(-c3ccc(Cl)c(-n4cnnc4)c3)nc2c1 | O |
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<|startoftext|><L>Cc1cc(C)c2oc(-c3ccc(C<mask_1:4>n4cnnc4)c3)nc2c1<mask_1:4> | 5 | 21 | 4 | l)c(- | 4 | Cc1cc(C)c2oc(-c3ccc(C)c(-n4cnnc4)c3)nc2c1 | Cc1cc(C)c2oc(-c3ccc(Cl)c(-n4cnnc4)c3)nc2c1 | )c(- |
<|startoftext|><L>Cc1cc<mask_1:3>C)c2oc(-c3ccc(Cl)c(-n4cnnc4)c3)nc2c1<mask_1:3> | 1 | 5 | 3 | ( | 3 | Cc1cc(OCC)c2oc(-c3ccc(Cl)c(-n4cnnc4)c3)nc2c1 | Cc1cc(C)c2oc(-c3ccc(Cl)c(-n4cnnc4)c3)nc2c1 | (OC |
<|startoftext|><L>Cc1ccc(C=C2C<mask_1:3>O)OC3(CCCC3)OC2=O)cc1<mask_1:3> | 2 | 12 | 3 | (= | 3 | Cc1ccc(C=C2CC(=O)OC3(CCCC3)OC2=O)cc1 | Cc1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1 | C(= |
<|startoftext|><L>Cc1ccc(C=C2C(=O)OC3(CCCC3)OC<mask_1:4>)cc1<mask_1:4> | 3 | 28 | 4 | 2=O | 3 | Cc1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1 | Cc1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1 | 2=O |
<|startoftext|><L>Cc1cc<mask_1:5>C=C2C(=O)OC3(CCCC3)OC2=O)cc1<mask_1:5> | 2 | 5 | 5 | c( | 5 | Cc1ccc(CSCC=C2C(=O)OC3(CCCC3)OC2=O)cc1 | Cc1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1 | c(CSC |
<|startoftext|><L>Cc1ccc<mask_1:2>C=C2C(=O)OC3(CCCC3)OC2=O)cc1<mask_1:2> | 1 | 6 | 2 | ( | 2 | Cc1ccc(NC=C2C(=O)OC3(CCCC3)OC2=O)cc1 | Cc1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1 | (N |
<|startoftext|><L>Cc1ccc(<mask_1:1>C2C(=O)OC3(CCCC3)OC2=O)cc1<mask_1:1> | 2 | 7 | 1 | C= | 1 | Cc1ccc(OC2C(=O)OC3(CCCC3)OC2=O)cc1 | Cc1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1 | O |
<|startoftext|><L>Cc1ccc(C=C2<mask_1:5>)OC3(CCCC3)OC2=O)cc1<mask_1:5> | 4 | 11 | 5 | C(=O | 4 | Cc1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1 | Cc1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1 | C(=O |
<|startoftext|><L>Cc1ccc(C=C2C(=O)OC<mask_1:5>(CCCC3)OC2=O)cc1<mask_1:5> | 1 | 18 | 5 | 3 | 5 | Cc1ccc(C=C2C(=O)OC3(C)C(CCCC3)OC2=O)cc1 | Cc1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1 | 3(C)C |
<|startoftext|><L>Cc1ccc(C=C2C(=O)OC3(CCCC3<mask_1:3>O)cc1<mask_1:3> | 5 | 25 | 3 | )OC2= | 3 | Cc1ccc(C=C2C(=O)OC3(CCCC3)C2O)cc1 | Cc1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1 | )C2 |
<|startoftext|><L>Cc1ccc(C=C2C(=O)OC3(CCCC3)<mask_1:2>OC2=O)cc1<mask_1:2> | 0 | 26 | 2 | 2 | Cc1ccc(C=C2C(=O)OC3(CCCC3)OCOC2=O)cc1 | Cc1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1 | OC |
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<|startoftext|><L>Cc1ccc(C<mask_1:4>C2C(=O)OC3(CCCC3)OC2=O)cc1<mask_1:4> | 1 | 8 | 4 | = | 4 | Cc1ccc(C(=O)C2C(=O)OC3(CCCC3)OC2=O)cc1 | Cc1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1 | (=O) |
<|startoftext|><L>O=C(N<mask_1:7>1c[nH]c2ncccc12)N1CCC[C@@H]([C@@H]2CCCCO2)C1<mask_1:7> | 3 | 5 | 7 | CCc | 7 | O=C(NC(=O)Cc1c[nH]c2ncccc12)N1CCC[C@@H]([C@@H]2CCCCO2)C1 | O=C(NCCc1c[nH]c2ncccc12)N1CCC[C@@H]([C@@H]2CCCCO2)C1 | C(=O)Cc |
<|startoftext|><L>O=C(NCCc1c[nH]c<mask_1:5>cccc12)N1CCC[C@@H]([C@@H]2CCCCO2)C1<mask_1:5> | 2 | 15 | 5 | 2n | 5 | O=C(NCCc1c[nH]c2c(F)cccc12)N1CCC[C@@H]([C@@H]2CCCCO2)C1 | O=C(NCCc1c[nH]c2ncccc12)N1CCC[C@@H]([C@@H]2CCCCO2)C1 | 2c(F) |
<|startoftext|><L>O=C(NCCc1c[nH]c2ncccc12)N1CCC[C@@H]([C<mask_1:3>2CCCCO2)C1<mask_1:3> | 4 | 38 | 3 | @@H] | 3 | O=C(NCCc1c[nH]c2ncccc12)N1CCC[C@@H]([C@H]2CCCCO2)C1 | O=C(NCCc1c[nH]c2ncccc12)N1CCC[C@@H]([C@@H]2CCCCO2)C1 | @H] |
<|startoftext|><L>O=C(NCC<mask_1:4>c2ncccc12)N1CCC[C@@H]([C@@H]2CCCCO2)C1<mask_1:4> | 7 | 7 | 4 | c1c[nH] | 4 | O=C(NCCc1noc2ncccc12)N1CCC[C@@H]([C@@H]2CCCCO2)C1 | O=C(NCCc1c[nH]c2ncccc12)N1CCC[C@@H]([C@@H]2CCCCO2)C1 | c1no |
<|startoftext|><L>O=C(NCCc1c[nH]c2ncccc12<mask_1:6>N1CCC[C@@H]([C@@H]2CCCCO2)C1<mask_1:6> | 1 | 23 | 6 | ) | 6 | O=C(NCCc1c[nH]c2ncccc12)C(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1 | O=C(NCCc1c[nH]c2ncccc12)N1CCC[C@@H]([C@@H]2CCCCO2)C1 | )C(=O) |
<|startoftext|><L>O=C(NCCc1c[nH]c2ncccc12)N1CCC[C@@H]([C@@H]<mask_1:4>)C1<mask_1:4> | 7 | 42 | 4 | 2CCCCO2 | 4 | O=C(NCCc1c[nH]c2ncccc12)N1CCC[C@@H]([C@@H](F)O)C1 | O=C(NCCc1c[nH]c2ncccc12)N1CCC[C@@H]([C@@H]2CCCCO2)C1 | (F)O |
<|startoftext|><L>O=C(NCCc1c[nH]c2ncccc12)N1CCC[C@@H]([C@@<mask_1:2>CCO2)C1<mask_1:2> | 5 | 40 | 2 | H]2CC | 2 | O=C(NCCc1c[nH]c2ncccc12)N1CCC[C@@H]([C@@]2CCO2)C1 | O=C(NCCc1c[nH]c2ncccc12)N1CCC[C@@H]([C@@H]2CCCCO2)C1 | ]2 |
<|startoftext|><L>O=C(NCCc1c[nH]c2ncccc12)N1CCC[C@@H]([C@@<mask_1:3>CCCO2)C1<mask_1:3> | 4 | 40 | 3 | H]2C | 3 | O=C(NCCc1c[nH]c2ncccc12)N1CCC[C@@H]([C@@H]2CCCO2)C1 | O=C(NCCc1c[nH]c2ncccc12)N1CCC[C@@H]([C@@H]2CCCCO2)C1 | H]2 |
<|startoftext|><L>O=<mask_1:5>CCc1c[nH]c2ncccc12)N1CCC[C@@H]([C@@H]2CCCCO2)C1<mask_1:5> | 3 | 2 | 5 | C(N | 5 | O=C(NCCCCc1c[nH]c2ncccc12)N1CCC[C@@H]([C@@H]2CCCCO2)C1 | O=C(NCCc1c[nH]c2ncccc12)N1CCC[C@@H]([C@@H]2CCCCO2)C1 | C(NCC |
<|startoftext|><L>O=C(NCCc1c[nH]c2ncccc12)N1CCC[C@@H]([C@@<mask_1:4>CCCCO2)C1<mask_1:4> | 3 | 40 | 4 | H]2 | 4 | O=C(NCCc1c[nH]c2ncccc12)N1CCC[C@@H]([C@@H]2CCCCCO2)C1 | O=C(NCCc1c[nH]c2ncccc12)N1CCC[C@@H]([C@@H]2CCCCO2)C1 | H]2C |