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stringlengths 46
212
| first_mask_count
int64 0
16
| first_start_index
int64 0
146
| first_mask_gen_count
int64 1
16
| first_mask_tokens
stringlengths 0
16
| first_mask_gen_count_real
int64 0
18
| generated_smiles
stringlengths 9
184
| original_smiles
stringlengths 9
175
| generated_tokens
stringlengths 0
18
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|---|---|---|---|---|---|---|---|---|
<|startoftext|><L>Cc1cc(C(=O)N<mask_1:2>c(CC(=O)O)cc2)cs1<mask_1:2> | 4 | 12 | 2 | c2cc | 2 | Cc1cc(C(=O)N2cc(CC(=O)O)cc2)cs1 | Cc1cc(C(=O)Nc2ccc(CC(=O)O)cc2)cs1 | 2c |
<|startoftext|><L><mask_1:3>c1cc(C(=O)Nc2ccc(CC(=O)O)cc2)cs1<mask_1:3> | 1 | 0 | 3 | C | 3 | CCCc1cc(C(=O)Nc2ccc(CC(=O)O)cc2)cs1 | Cc1cc(C(=O)Nc2ccc(CC(=O)O)cc2)cs1 | CCC |
<|startoftext|><L>Cc1cc(<mask_1:4>=O)Nc2ccc(CC(=O)O)cc2)cs1<mask_1:4> | 2 | 6 | 4 | C( | 4 | Cc1cc(CNC(=O)Nc2ccc(CC(=O)O)cc2)cs1 | Cc1cc(C(=O)Nc2ccc(CC(=O)O)cc2)cs1 | CNC( |
<|startoftext|><L>Cc1cc(C(<mask_1:4>Nc2ccc(CC(=O)O)cc2)cs1<mask_1:4> | 3 | 8 | 4 | =O) | 4 | Cc1cc(C(=O)NNc2ccc(CC(=O)O)cc2)cs1 | Cc1cc(C(=O)Nc2ccc(CC(=O)O)cc2)cs1 | =O)N |
<|startoftext|><L>Cc1cc<mask_1:4>=O)Nc2ccc(CC(=O)O)cc2)cs1<mask_1:4> | 3 | 5 | 4 | (C( | 4 | Cc1cc(CC(=O)Nc2ccc(CC(=O)O)cc2)cs1 | Cc1cc(C(=O)Nc2ccc(CC(=O)O)cc2)cs1 | (CC( |
<|startoftext|><L>Cc1cc(C(=O)Nc2ccc(CC(=O)O)<mask_1:2>)cs1<mask_1:2> | 3 | 26 | 2 | cc2 | 2 | Cc1cc(C(=O)Nc2ccc(CC(=O)O)s2)cs1 | Cc1cc(C(=O)Nc2ccc(CC(=O)O)cc2)cs1 | s2 |
<|startoftext|><L>Cc1cc(C(<mask_1:2>c2ccc(CC(=O)O)cc2)cs1<mask_1:2> | 4 | 8 | 2 | =O)N | 2 | Cc1cc(C(C)c2ccc(CC(=O)O)cc2)cs1 | Cc1cc(C(=O)Nc2ccc(CC(=O)O)cc2)cs1 | C) |
<|startoftext|><L>Cc1cc(C(=<mask_1:4>c2ccc(CC(=O)O)cc2)cs1<mask_1:4> | 3 | 9 | 4 | O)N | 4 | Cc1cc(C(=O)NCc2ccc(CC(=O)O)cc2)cs1 | Cc1cc(C(=O)Nc2ccc(CC(=O)O)cc2)cs1 | O)NC |
<|startoftext|><L>Cc1cc(C(=O)Nc2ccc(CC(=O)O)c<mask_1:4>)cs1<mask_1:4> | 2 | 27 | 4 | c2 | 4 | Cc1cc(C(=O)Nc2ccc(CC(=O)O)cc2Cl)cs1 | Cc1cc(C(=O)Nc2ccc(CC(=O)O)cc2)cs1 | c2Cl |
<|startoftext|><L>Cc1cc(C(=<mask_1:4>c2ccc(CC(=O)O)cc2)cs1<mask_1:4> | 3 | 9 | 4 | O)N | 4 | Cc1cc(C(=O)NCc2ccc(CC(=O)O)cc2)cs1 | Cc1cc(C(=O)Nc2ccc(CC(=O)O)cc2)cs1 | O)NC |
<|startoftext|><L>COc1ccc(/C=C/C(=O)Nc2c(C)cc(C)cc2C<mask_1:6>c1S(=O)(=O)N1CCOCC1<mask_1:6> | 3 | 34 | 6 | l)c | 6 | COc1ccc(/C=C/C(=O)Nc2c(C)cc(C)cc2C)c(OC)c1S(=O)(=O)N1CCOCC1 | COc1ccc(/C=C/C(=O)Nc2c(C)cc(C)cc2Cl)cc1S(=O)(=O)N1CCOCC1 | )c(OC) |
<|startoftext|><L>COc1ccc<mask_1:8>C=C/C(=O)Nc2c(C)cc(C)cc2Cl)cc1S(=O)(=O)N1CCOCC1<mask_1:8> | 2 | 7 | 8 | (/ | 8 | COc1ccc(NC(=O)/C=C/C(=O)Nc2c(C)cc(C)cc2Cl)cc1S(=O)(=O)N1CCOCC1 | COc1ccc(/C=C/C(=O)Nc2c(C)cc(C)cc2Cl)cc1S(=O)(=O)N1CCOCC1 | (NC(=O)/ |
<|startoftext|><L>COc1ccc(/C=C/C(=O)Nc2c<mask_1:4>)cc2Cl)cc1S(=O)(=O)N1CCOCC1<mask_1:4> | 7 | 22 | 4 | (C)cc(C | 4 | COc1ccc(/C=C/C(=O)Nc2ccc(F)cc2Cl)cc1S(=O)(=O)N1CCOCC1 | COc1ccc(/C=C/C(=O)Nc2c(C)cc(C)cc2Cl)cc1S(=O)(=O)N1CCOCC1 | cc(F |
<|startoftext|><L>COc1ccc(/C=C/C(=O)Nc2<mask_1:2>C)cc2Cl)cc1S(=O)(=O)N1CCOCC1<mask_1:2> | 7 | 21 | 2 | c(C)cc( | 2 | COc1ccc(/C=C/C(=O)Nc2c(C)cc2Cl)cc1S(=O)(=O)N1CCOCC1 | COc1ccc(/C=C/C(=O)Nc2c(C)cc(C)cc2Cl)cc1S(=O)(=O)N1CCOCC1 | c( |
<|startoftext|><L>COc1c<mask_1:5>C/C(=O)Nc2c(C)cc(C)cc2Cl)cc1S(=O)(=O)N1CCOCC1<mask_1:5> | 6 | 5 | 5 | cc(/C= | 5 | COc1ccc(/CC/C(=O)Nc2c(C)cc(C)cc2Cl)cc1S(=O)(=O)N1CCOCC1 | COc1ccc(/C=C/C(=O)Nc2c(C)cc(C)cc2Cl)cc1S(=O)(=O)N1CCOCC1 | cc(/C |
<|startoftext|><L>COc1ccc(/C=C/C(=O)Nc2c(C)cc<mask_1:7>2Cl)cc1S(=O)(=O)N1CCOCC1<mask_1:7> | 5 | 27 | 7 | (C)cc | 6 | COc1ccc(/C=C/C(=O)Nc2c(C)cc(Cl)cc2Cl)cc1S(=O)(=O)N1CCOCC1 | COc1ccc(/C=C/C(=O)Nc2c(C)cc(C)cc2Cl)cc1S(=O)(=O)N1CCOCC1 | (Cl)cc |
<|startoftext|><L>COc1ccc(/C=<mask_1:5>)Nc2c(C)cc(C)cc2Cl)cc1S(=O)(=O)N1CCOCC1<mask_1:5> | 6 | 11 | 5 | C/C(=O | 5 | COc1ccc(/C=C/C(C)Nc2c(C)cc(C)cc2Cl)cc1S(=O)(=O)N1CCOCC1 | COc1ccc(/C=C/C(=O)Nc2c(C)cc(C)cc2Cl)cc1S(=O)(=O)N1CCOCC1 | C/C(C |
<|startoftext|><L>COc1<mask_1:7>C=C/C(=O)Nc2c(C)cc(C)cc2Cl)cc1S(=O)(=O)N1CCOCC1<mask_1:7> | 5 | 4 | 7 | ccc(/ | 7 | COc1ccc(N/CC=C/C(=O)Nc2c(C)cc(C)cc2Cl)cc1S(=O)(=O)N1CCOCC1 | COc1ccc(/C=C/C(=O)Nc2c(C)cc(C)cc2Cl)cc1S(=O)(=O)N1CCOCC1 | ccc(N/C |
<|startoftext|><L>COc1ccc(/C=C/C(=O)Nc2c(C)cc(C)<mask_1:4>c2Cl)cc1S(=O)(=O)N1CCOCC1<mask_1:4> | 1 | 30 | 4 | c | 4 | COc1ccc(/C=C/C(=O)Nc2c(C)cc(C)c(C)c2Cl)cc1S(=O)(=O)N1CCOCC1 | COc1ccc(/C=C/C(=O)Nc2c(C)cc(C)cc2Cl)cc1S(=O)(=O)N1CCOCC1 | c(C) |
<|startoftext|><L>COc1ccc(/C=C/<mask_1:3>c(C)cc(C)cc2Cl)cc1S(=O)(=O)N1CCOCC1<mask_1:3> | 8 | 13 | 3 | C(=O)Nc2 | 3 | COc1ccc(/C=C/Nc2c(C)cc(C)cc2Cl)cc1S(=O)(=O)N1CCOCC1 | COc1ccc(/C=C/C(=O)Nc2c(C)cc(C)cc2Cl)cc1S(=O)(=O)N1CCOCC1 | Nc2 |
<|startoftext|><L>CCO[C@H]1C[C@@H](N(C)Cc2ccc(N3C<mask_1:4>cc2)C1(C)C<mask_1:4> | 6 | 31 | 4 | COCC3) | 4 | CCO[C@H]1C[C@@H](N(C)Cc2ccc(N3CCC3)cc2)C1(C)C | CCO[C@H]1C[C@@H](N(C)Cc2ccc(N3CCOCC3)cc2)C1(C)C | CC3) |
<|startoftext|><L>CC<mask_1:6>]1C[C@@H](N(C)Cc2ccc(N3CCOCC3)cc2)C1(C)C<mask_1:6> | 5 | 2 | 6 | O[C@H | 6 | CCO[C@@H]1C[C@@H](N(C)Cc2ccc(N3CCOCC3)cc2)C1(C)C | CCO[C@H]1C[C@@H](N(C)Cc2ccc(N3CCOCC3)cc2)C1(C)C | O[C@@H |
<|startoftext|><L>CCO[C@H]1C[C@@H](N(C)<mask_1:5>cc(N3CCOCC3)cc2)C1(C)C<mask_1:5> | 4 | 21 | 5 | Cc2c | 5 | CCO[C@H]1C[C@@H](N(C)CCc2ccc(N3CCOCC3)cc2)C1(C)C | CCO[C@H]1C[C@@H](N(C)Cc2ccc(N3CCOCC3)cc2)C1(C)C | CCc2c |
<|startoftext|><L>C<mask_1:1>CO[C@H]1C[C@@H](N(C)Cc2ccc(N3CCOCC3)cc2)C1(C)C<mask_1:1> | 0 | 1 | 1 | 1 | CCCO[C@H]1C[C@@H](N(C)Cc2ccc(N3CCOCC3)cc2)C1(C)C | CCO[C@H]1C[C@@H](N(C)Cc2ccc(N3CCOCC3)cc2)C1(C)C | C |
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<|startoftext|><L>CCO[C@H]1C[C@@H](N(C)Cc2ccc(N3CCOC<mask_1:4>C1(C)C<mask_1:4> | 7 | 34 | 4 | C3)cc2) | 5 | CCO[C@H]1C[C@@H](N(C)Cc2ccc(N3CCOC3)s2)C1(C)C | CCO[C@H]1C[C@@H](N(C)Cc2ccc(N3CCOCC3)cc2)C1(C)C | 3)s2) |
<|startoftext|><L>CCO[C@H]1C[C@@H]<mask_1:6>)Cc2ccc(N3CCOCC3)cc2)C1(C)C<mask_1:6> | 4 | 16 | 6 | (N(C | 6 | CCO[C@H]1C[C@@H](NC(=O)Cc2ccc(N3CCOCC3)cc2)C1(C)C | CCO[C@H]1C[C@@H](N(C)Cc2ccc(N3CCOCC3)cc2)C1(C)C | (NC(=O |
<|startoftext|><L>CCO[C@<mask_1:7>@@H](N(C)Cc2ccc(N3CCOCC3)cc2)C1(C)C<mask_1:7> | 6 | 6 | 7 | H]1C[C | 7 | CCO[C@@H]1C[C@@H](N(C)Cc2ccc(N3CCOCC3)cc2)C1(C)C | CCO[C@H]1C[C@@H](N(C)Cc2ccc(N3CCOCC3)cc2)C1(C)C | @H]1C[C |
<|startoftext|><L>CCO[C@H]1C[C@@H<mask_1:4>Cc2ccc(N3CCOCC3)cc2)C1(C)C<mask_1:4> | 6 | 15 | 4 | ](N(C) | 4 | CCO[C@H]1C[C@@H](NCCc2ccc(N3CCOCC3)cc2)C1(C)C | CCO[C@H]1C[C@@H](N(C)Cc2ccc(N3CCOCC3)cc2)C1(C)C | ](NC |
<|startoftext|><L>CCO[C@H]1C[C@@H](N(C<mask_1:6>Cc2ccc(N3CCOCC3)cc2)C1(C)C<mask_1:6> | 1 | 20 | 6 | ) | 6 | CCO[C@H]1C[C@@H](N(C)C(=O)Cc2ccc(N3CCOCC3)cc2)C1(C)C | CCO[C@H]1C[C@@H](N(C)Cc2ccc(N3CCOCC3)cc2)C1(C)C | )C(=O) |
<|startoftext|><L>CCO[C@H]1C[C@@H](N(C)Cc2ccc(N3CCOCC3)c<mask_1:6>)C1(C)C<mask_1:6> | 2 | 38 | 6 | c2 | 6 | CCO[C@H]1C[C@@H](N(C)Cc2ccc(N3CCOCC3)c(F)c2F)C1(C)C | CCO[C@H]1C[C@@H](N(C)Cc2ccc(N3CCOCC3)cc2)C1(C)C | (F)c2F |
<|startoftext|><L>CCCCCCN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1C<mask_1:7>c1ccnc(C(C)C)n1<mask_1:7> | 0 | 40 | 7 | 7 | CCCCCCN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1CCC(=O)Nc1ccnc(C(C)C)n1 | CCCCCCN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(C(C)C)n1 | CC(=O)N |
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<|startoftext|><L>CCCCCCN[C@@H]1C[C@@H](<mask_1:5>O)[C@H](CO)[C@H]1Cc1ccnc(C(C)C)n1<mask_1:5> | 0 | 22 | 5 | 5 | CCCCCCN[C@@H]1C[C@@H](C(=O)O)[C@H](CO)[C@H]1Cc1ccnc(C(C)C)n1 | CCCCCCN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(C(C)C)n1 | C(=O) |
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<|startoftext|><L>CCCCCCN[C@@H]1C[C@@H<mask_1:8>](O)[C@H](CO)[C@H]1Cc1ccnc(C(C)C)n1<mask_1:8> | 0 | 20 | 8 | 8 | CCCCCCN[C@@H]1C[C@@H](O)[C@H](O)[C@H](CO)[C@H]1Cc1ccnc(C(C)C)n1 | CCCCCCN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(C(C)C)n1 | ](O)[C@H |
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<|startoftext|><L>CCCCCCN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc<mask_1:6>(C(C)C)n1<mask_1:6> | 0 | 46 | 6 | 6 | CCCCCCN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccncc1-n1c(C(C)C)n1 | CCCCCCN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(C(C)C)n1 | c1-n1c |
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<|startoftext|><L>CCCCCCN[C@@H]1C[C@@H](O)[C@H](CO)[C@H<mask_1:1>cnc(C(C)C)n1<mask_1:1> | 6 | 37 | 1 | ]1Cc1c | 1 | CCCCCCN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]cnc(C(C)C)n1 | CCCCCCN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(C(C)C)n1 | ] |
<|startoftext|><L>CCCCCCN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(C(<mask_1:1>C)C)n1<mask_1:1> | 0 | 49 | 1 | 1 | CCCCCCN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(C(CC)C)n1 | CCCCCCN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(C(C)C)n1 | C |
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<|startoftext|><L>CCCCCCN[C@@H]1C[C@@H](<mask_1:7>CO)[C@H]1Cc1ccnc(C(C)C)n1<mask_1:7> | 8 | 22 | 7 | O)[C@H]( | 8 | CCCCCCN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(C(C)C)n1 | CCCCCCN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(C(C)C)n1 | O)[C@H]( |
<|startoftext|><L>CCCCCCN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(<mask_1:7>C)C)n1<mask_1:7> | 2 | 47 | 7 | C( | 7 | CCCCCCN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(COC(C)(C)C)n1 | CCCCCCN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(C(C)C)n1 | COC(C)( |
<|startoftext|><L>CCCCCCN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(C(C)<mask_1:3>C)n1<mask_1:3> | 0 | 51 | 3 | 3 | CCCCCCN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(C(C)(C)C)n1 | CCCCCCN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(C(C)C)n1 | (C) |
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<|startoftext|><L>CCCCCCN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc<mask_1:7>c(C(C)C)n1<mask_1:7> | 4 | 41 | 7 | 1ccn | 7 | CCCCCCN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1cc(O)nc(C(C)C)n1 | CCCCCCN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(C(C)C)n1 | 1cc(O)n |
<|startoftext|><L>O=Cc1ccc(-c2ccc(S(=O)(=O)Nc3nc<mask_1:5>cn3)cc2)o1<mask_1:5> | 1 | 30 | 5 | c | 5 | O=Cc1ccc(-c2ccc(S(=O)(=O)Nc3ncc(Br)cn3)cc2)o1 | O=Cc1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1 | c(Br) |
<|startoftext|><L>O=Cc1ccc(-c2ccc(<mask_1:3>(=O)Nc3ncccn3)cc2)o1<mask_1:3> | 5 | 16 | 3 | S(=O) | 3 | O=Cc1ccc(-c2ccc(OCC(=O)Nc3ncccn3)cc2)o1 | O=Cc1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1 | OCC |
<|startoftext|><L>O=<mask_1:6>c(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1<mask_1:6> | 5 | 2 | 6 | Cc1cc | 6 | O=CCc1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1 | O=Cc1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1 | CCc1cc |
<|startoftext|><L>O=Cc1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3<mask_1:4>1<mask_1:4> | 6 | 34 | 4 | )cc2)o | 4 | O=Cc1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)s2)1 | O=Cc1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1 | )s2) |
<|startoftext|><L>O=Cc1ccc(-c2ccc(S(=O)(=O)<mask_1:4>c3ncccn3)cc2)o1<mask_1:4> | 1 | 25 | 4 | N | 4 | O=Cc1ccc(-c2ccc(S(=O)(=O)NCCNc3ncccn3)cc2)o1 | O=Cc1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1 | NCCN |
<|startoftext|><L>O=Cc1ccc<mask_1:5>ccc(S(=O)(=O)Nc3ncccn3)cc2)o1<mask_1:5> | 4 | 8 | 5 | (-c2 | 5 | O=Cc1ccc(CSc2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1 | O=Cc1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1 | (CSc2 |
<|startoftext|><L>O=Cc1<mask_1:6>-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1<mask_1:6> | 4 | 5 | 6 | ccc( | 6 | O=Cc1ccc(CC-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1 | O=Cc1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1 | ccc(CC |
<|startoftext|><L>O=Cc1ccc(-c2ccc(S(=O)(=O)<mask_1:5>cccn3)cc2)o1<mask_1:5> | 4 | 25 | 5 | Nc3n | 5 | O=Cc1ccc(-c2ccc(S(=O)(=O)NNc3ncccn3)cc2)o1 | O=Cc1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1 | NNc3n |
<|startoftext|><L>O=Cc1ccc(-c2ccc(S(=O)(=O)Nc3ncc<mask_1:4>3)cc2)o1<mask_1:4> | 2 | 31 | 4 | cn | 4 | O=Cc1ccc(-c2ccc(S(=O)(=O)Nc3ncc(O)s3)cc2)o1 | O=Cc1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1 | (O)s |
<|startoftext|><L>O=Cc1ccc(-c2ccc(S(<mask_1:1>O)Nc3ncccn3)cc2)o1<mask_1:1> | 5 | 18 | 1 | =O)(= | 1 | O=Cc1ccc(-c2ccc(S(=O)Nc3ncccn3)cc2)o1 | O=Cc1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1 | = |
<|startoftext|><L>O=C1Nc2ccccc<mask_1:2>[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1cccc(F)c1)[C@@H]1CCCN12<mask_1:2> | 1 | 12 | 2 | 2 | 2 | O=C1Nc2ccccc2C[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1cccc(F)c1)[C@@H]1CCCN12 | O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1cccc(F)c1)[C@@H]1CCCN12 | 2C |
<|startoftext|><L>O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1O<mask_1:5>Cc1cccc(F)c1)[C@@H]1CCCN12<mask_1:5> | 0 | 53 | 5 | 5 | O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OC(CO)Cc1cccc(F)c1)[C@@H]1CCCN12 | O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1cccc(F)c1)[C@@H]1CCCN12 | C(CO) |
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<|startoftext|><L>O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cccc<mask_1:6>OCc1cccc(F)c1)[C@@H]1CCCN12<mask_1:6> | 2 | 50 | 6 | c1 | 6 | O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cccc(Cl)c1OCc1cccc(F)c1)[C@@H]1CCCN12 | O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1cccc(F)c1)[C@@H]1CCCN12 | (Cl)c1 |
<|startoftext|><L>O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1c<mask_1:2>1OCc1cccc(F)c1)[C@@H]1CCCN12<mask_1:2> | 4 | 47 | 2 | cccc | 3 | O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccsc1OCc1cccc(F)c1)[C@@H]1CCCN12 | O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1cccc(F)c1)[C@@H]1CCCN12 | csc |
<|startoftext|><L>O=C1Nc2ccccc2[C@]1<mask_1:6>H]([N+](=O)[O-])[C@H](c1ccccc1OCc1cccc(F)c1)[C@@H]1CCCN12<mask_1:6> | 4 | 18 | 6 | 2[C@ | 6 | O=C1Nc2ccccc2[C@]12N[C@@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1cccc(F)c1)[C@@H]1CCCN12 | O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1cccc(F)c1)[C@@H]1CCCN12 | 2N[C@@ |
<|startoftext|><L>O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OC<mask_1:6>1)[C@@H]1CCCN12<mask_1:6> | 10 | 54 | 6 | c1cccc(F)c | 6 | O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1cccs1)[C@@H]1CCCN12 | O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1cccc(F)c1)[C@@H]1CCCN12 | c1cccs |
<|startoftext|><L>O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1cccc(F)c1)[<mask_1:1>]1CCCN12<mask_1:1> | 4 | 67 | 1 | C@@H | 1 | O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1cccc(F)c1)[C]1CCCN12 | O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1cccc(F)c1)[C@@H]1CCCN12 | C |
<|startoftext|><L>O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc<mask_1:4>c(F)c1)[C@@H]1CCCN12<mask_1:4> | 11 | 48 | 4 | ccc1OCc1ccc | 4 | O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(F)c(F)c1)[C@@H]1CCCN12 | O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1cccc(F)c1)[C@@H]1CCCN12 | c(F) |
<|startoftext|><L>O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1cccc(F)c1)<mask_1:2>CCCN12<mask_1:2> | 7 | 66 | 2 | [C@@H]1 | 2 | O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1cccc(F)c1)N1CCCN12 | O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1cccc(F)c1)[C@@H]1CCCN12 | N1 |
<|startoftext|><L>O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1<mask_1:11>cc(F)c1)[C@@H]1CCCN12<mask_1:11> | 2 | 56 | 11 | cc | 12 | O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1ccc(Cl)c(Cl)cc(F)c1)[C@@H]1CCCN12 | O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1cccc(F)c1)[C@@H]1CCCN12 | ccc(Cl)c(Cl) |
<|startoftext|><L>COC(=O)C1CCN(<mask_1:5>=O)/N=C(\O)[C@H](C)SC)CC1<mask_1:5> | 6 | 13 | 5 | S(=O)( | 5 | COC(=O)C1CCN(CCCC(=O)/N=C(\O)[C@H](C)SC)CC1 | COC(=O)C1CCN(S(=O)(=O)/N=C(\O)[C@H](C)SC)CC1 | CCCC( |
<|startoftext|><L>COC(=O)C1CCN(S(=O)(=<mask_1:6>/N=C(\O)[C@H](C)SC)CC1<mask_1:6> | 2 | 20 | 6 | O) | 6 | COC(=O)C1CCN(S(=O)(=O)/C=C/N=C(\O)[C@H](C)SC)CC1 | COC(=O)C1CCN(S(=O)(=O)/N=C(\O)[C@H](C)SC)CC1 | O)/C=C |
<|startoftext|><L>C<mask_1:2>O)C1CCN(S(=O)(=O)/N=C(\O)[C@H](C)SC)CC1<mask_1:2> | 4 | 1 | 2 | OC(= | 2 | CC(O)C1CCN(S(=O)(=O)/N=C(\O)[C@H](C)SC)CC1 | COC(=O)C1CCN(S(=O)(=O)/N=C(\O)[C@H](C)SC)CC1 | C( |
<|startoftext|><L>COC(=O)C1CCN(S(=O)(=O)/N=C(\O)<mask_1:3>C@H](C)SC)CC1<mask_1:3> | 1 | 30 | 3 | [ | 3 | COC(=O)C1CCN(S(=O)(=O)/N=C(\O)CC[C@H](C)SC)CC1 | COC(=O)C1CCN(S(=O)(=O)/N=C(\O)[C@H](C)SC)CC1 | CC[ |
<|startoftext|><L>COC(=O)C1CCN(S(=O)(=O)/N=C(\O)[C@H<mask_1:5>)CC1<mask_1:5> | 6 | 34 | 5 | ](C)SC | 5 | COC(=O)C1CCN(S(=O)(=O)/N=C(\O)[C@H](C)N)CC1 | COC(=O)C1CCN(S(=O)(=O)/N=C(\O)[C@H](C)SC)CC1 | ](C)N |
<|startoftext|><L>C<mask_1:3>OC(=O)C1CCN(S(=O)(=O)/N=C(\O)[C@H](C)SC)CC1<mask_1:3> | 0 | 1 | 3 | 3 | C=CCOC(=O)C1CCN(S(=O)(=O)/N=C(\O)[C@H](C)SC)CC1 | COC(=O)C1CCN(S(=O)(=O)/N=C(\O)[C@H](C)SC)CC1 | =CC |
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<|startoftext|><L>COC(=O)C1CCN<mask_1:2>(=O)/N=C(\O)[C@H](C)SC)CC1<mask_1:2> | 6 | 12 | 2 | (S(=O) | 2 | COC(=O)C1CCN(C(=O)/N=C(\O)[C@H](C)SC)CC1 | COC(=O)C1CCN(S(=O)(=O)/N=C(\O)[C@H](C)SC)CC1 | (C |
<|startoftext|><L>COC(=O)C1CCN(S(=O)(=O)/<mask_1:4>N=C(\O)[C@H](C)SC)CC1<mask_1:4> | 0 | 23 | 4 | 4 | COC(=O)C1CCN(S(=O)(=O)/C=C/N=C(\O)[C@H](C)SC)CC1 | COC(=O)C1CCN(S(=O)(=O)/N=C(\O)[C@H](C)SC)CC1 | C=C/ |
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<|startoftext|><L>COC(=O)C1CCN(S(=O)(=O)/N=<mask_1:1>C(\O)[C@H](C)SC)CC1<mask_1:1> | 0 | 25 | 1 | 1 | COC(=O)C1CCN(S(=O)(=O)/N=CC(\O)[C@H](C)SC)CC1 | COC(=O)C1CCN(S(=O)(=O)/N=C(\O)[C@H](C)SC)CC1 | C |
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<|startoftext|><L>COC(=O)C1CCN(S<mask_1:4>O)/N=C(\O)[C@H](C)SC)CC1<mask_1:4> | 6 | 14 | 4 | (=O)(= | 4 | COC(=O)C1CCN(SCC(=O)/N=C(\O)[C@H](C)SC)CC1 | COC(=O)C1CCN(S(=O)(=O)/N=C(\O)[C@H](C)SC)CC1 | CC(= |
<|startoftext|><L>Cc1<mask_1:5>)c(C)c1-c1cc(C(=O)NCCC2=CCCCC2)[nH]n1<mask_1:5> | 4 | 3 | 5 | nn(C | 5 | Cc1nn(CC)c(C)c1-c1cc(C(=O)NCCC2=CCCCC2)[nH]n1 | Cc1nn(C)c(C)c1-c1cc(C(=O)NCCC2=CCCCC2)[nH]n1 | nn(CC |
<|startoftext|><L>Cc1nn(C)c(C)c1<mask_1:5>c1cc(C(=O)NCCC2=CCCCC2)[nH]n1<mask_1:5> | 1 | 14 | 5 | - | 5 | Cc1nn(C)c(C)c1C(=O)c1cc(C(=O)NCCC2=CCCCC2)[nH]n1 | Cc1nn(C)c(C)c1-c1cc(C(=O)NCCC2=CCCCC2)[nH]n1 | C(=O) |
<|startoftext|><L>Cc1nn(C)c(C)c1-c1cc(C(=O)NCC<mask_1:5>CC2)[nH]n1<mask_1:5> | 6 | 28 | 5 | C2=CCC | 5 | Cc1nn(C)c(C)c1-c1cc(C(=O)NCC2=CCCCC2)[nH]n1 | Cc1nn(C)c(C)c1-c1cc(C(=O)NCCC2=CCCCC2)[nH]n1 | 2=CCC |
<|startoftext|><L>Cc1nn(C)c(C)c1-c1cc(C(=O)NC<mask_1:3>CCC2)[nH]n1<mask_1:3> | 6 | 27 | 3 | CC2=CC | 3 | Cc1nn(C)c(C)c1-c1cc(C(=O)NC2CCCCC2)[nH]n1 | Cc1nn(C)c(C)c1-c1cc(C(=O)NCCC2=CCCCC2)[nH]n1 | 2CC |
<|startoftext|><L><mask_1:5>nn(C)c(C)c1-c1cc(C(=O)NCCC2=CCCCC2)[nH]n1<mask_1:5> | 3 | 0 | 5 | Cc1 | 5 | CCCc1nn(C)c(C)c1-c1cc(C(=O)NCCC2=CCCCC2)[nH]n1 | Cc1nn(C)c(C)c1-c1cc(C(=O)NCCC2=CCCCC2)[nH]n1 | CCCc1 |
<|startoftext|><L>Cc1nn(C)c(C)c1-c1cc(C(=O)NCCC2<mask_1:2>C2)[nH]n1<mask_1:2> | 5 | 30 | 2 | =CCCC | 2 | Cc1nn(C)c(C)c1-c1cc(C(=O)NCCC2CCC2)[nH]n1 | Cc1nn(C)c(C)c1-c1cc(C(=O)NCCC2=CCCCC2)[nH]n1 | CC |
<|startoftext|><L>Cc1nn(C)c(C)c1-c1cc(C(=O)NCCC2=<mask_1:4>2)[nH]n1<mask_1:4> | 5 | 31 | 4 | CCCCC | 4 | Cc1nn(C)c(C)c1-c1cc(C(=O)NCCC2=CCCC2)[nH]n1 | Cc1nn(C)c(C)c1-c1cc(C(=O)NCCC2=CCCCC2)[nH]n1 | CCCC |
<|startoftext|><L>Cc1nn(C)c(C)c1-c1cc(C(=O)NCCC2=CCCCC2)[nH<mask_1:4>]n1<mask_1:4> | 0 | 41 | 4 | 4 | Cc1nn(C)c(C)c1-c1cc(C(=O)NCCC2=CCCCC2)[nH][nH]n1 | Cc1nn(C)c(C)c1-c1cc(C(=O)NCCC2=CCCCC2)[nH]n1 | ][nH |
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<|startoftext|><L>Cc1nn(C)c(C)c1-c1cc(C(=O)NCCC2=CCCCC2)[nH]<mask_1:6>1<mask_1:6> | 1 | 42 | 6 | n | 6 | Cc1nn(C)c(C)c1-c1cc(C(=O)NCCC2=CCCCC2)[nH]c(=O)n1 | Cc1nn(C)c(C)c1-c1cc(C(=O)NCCC2=CCCCC2)[nH]n1 | c(=O)n |
<|startoftext|><L>Cc1nn(C)c(C)c1-c1cc(C(=O)NCCC2<mask_1:3>CC2)[nH]n1<mask_1:3> | 4 | 30 | 3 | =CCC | 3 | Cc1nn(C)c(C)c1-c1cc(C(=O)NCCC2CCCCC2)[nH]n1 | Cc1nn(C)c(C)c1-c1cc(C(=O)NCCC2=CCCCC2)[nH]n1 | CCC |
<|startoftext|><L>O=C1NC(=Nc2cc<mask_1:6>O)c2)S/C1=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1<mask_1:6> | 8 | 13 | 6 | cc(C(=O) | 6 | O=C1NC(=Nc2ccc(F)c(O)c2)S/C1=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 | O=C1NC(=Nc2cccc(C(=O)O)c2)S/C1=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 | c(F)c( |
<|startoftext|><L>O=C1NC(=Nc2cccc(C(=O)O)c2)S/C1=C\c1ccc(Sc2ccccn2)c(<mask_1:5>(=O)[O-])c1<mask_1:5> | 4 | 51 | 5 | [N+] | 4 | O=C1NC(=Nc2cccc(C(=O)O)c2)S/C1=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 | O=C1NC(=Nc2cccc(C(=O)O)c2)S/C1=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 | [N+] |
<|startoftext|><L>O=C1NC(=Nc2cccc(<mask_1:3>O)c2)S/C1=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1<mask_1:3> | 5 | 16 | 3 | C(=O) | 3 | O=C1NC(=Nc2cccc(OCCO)c2)S/C1=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 | O=C1NC(=Nc2cccc(C(=O)O)c2)S/C1=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 | OCC |
<|startoftext|><L>O=C1NC(=Nc2cccc(C(=O)O)c2)S/C1=C\c1ccc(Sc2<mask_1:8>)c([N+](=O)[O-])c1<mask_1:8> | 6 | 42 | 8 | ccccn2 | 8 | O=C1NC(=Nc2cccc(C(=O)O)c2)S/C1=C\c1ccc(Sc2ccccc2Cl)c([N+](=O)[O-])c1 | O=C1NC(=Nc2cccc(C(=O)O)c2)S/C1=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 | ccccc2Cl |
<|startoftext|><L>O=C1NC(=Nc2cccc(C(=O)O)c2)S/C1=C\c1ccc(Sc2ccccn2)c([N+](=<mask_1:3>c1<mask_1:3> | 7 | 57 | 3 | O)[O-]) | 3 | O=C1NC(=Nc2cccc(C(=O)O)c2)S/C1=C\c1ccc(Sc2ccccn2)c([N+](=O))c1 | O=C1NC(=Nc2cccc(C(=O)O)c2)S/C1=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 | O)) |
<|startoftext|><L>O=C1NC(=Nc2cccc(C(=O)O)c2)S/C1=C\c1ccc(<mask_1:9>Sc2ccccn2)c([N+](=O)[O-])c1<mask_1:9> | 0 | 39 | 9 | 9 | O=C1NC(=Nc2cccc(C(=O)O)c2)S/C1=C\c1ccc(O[C@H](C)Sc2ccccn2)c([N+](=O)[O-])c1 | O=C1NC(=Nc2cccc(C(=O)O)c2)S/C1=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 | O[C@H](C) |
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<|startoftext|><L>O=C1NC(=Nc2cccc(C(=O)O)c2)S/C1<mask_1:6>=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1<mask_1:6> | 0 | 30 | 6 | 6 | O=C1NC(=Nc2cccc(C(=O)O)c2)S/C1=C\C\C=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 | O=C1NC(=Nc2cccc(C(=O)O)c2)S/C1=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 | =C\C\C |
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<|startoftext|><L>O=<mask_1:6>1NC(=Nc2cccc(C(=O)O)c2)S/C1=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1<mask_1:6> | 1 | 2 | 6 | C | 6 | O=C(O)CN1NC(=Nc2cccc(C(=O)O)c2)S/C1=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 | O=C1NC(=Nc2cccc(C(=O)O)c2)S/C1=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 | C(O)CN |
<|startoftext|><L>O=C1NC(=Nc2cccc(C(<mask_1:7>)c2)S/C1=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1<mask_1:7> | 4 | 18 | 7 | =O)O | 7 | O=C1NC(=Nc2cccc(C(F)(F)Cl)c2)S/C1=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 | O=C1NC(=Nc2cccc(C(=O)O)c2)S/C1=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 | F)(F)Cl |
<|startoftext|><L>O=C1<mask_1:1>(=Nc2cccc(C(=O)O)c2)S/C1=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1<mask_1:1> | 2 | 4 | 1 | NC | 1 | O=C1C(=Nc2cccc(C(=O)O)c2)S/C1=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 | O=C1NC(=Nc2cccc(C(=O)O)c2)S/C1=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 | C |
<|startoftext|><L>Cc1nc2c(s1)[C@H](N(C)C(=O)c1ncccc1<mask_1:4>CCC2<mask_1:4> | 3 | 34 | 4 | Cl) | 4 | Cc1nc2c(s1)[C@H](N(C)C(=O)c1ncccc1F)CCCCC2 | Cc1nc2c(s1)[C@H](N(C)C(=O)c1ncccc1Cl)CCC2 | F)CC |
<|startoftext|><L>Cc1nc2c<mask_1:6>C@H](N(C)C(=O)c1ncccc1Cl)CCC2<mask_1:6> | 5 | 7 | 6 | (s1)[ | 6 | Cc1nc2c(s1)C[C@H](N(C)C(=O)c1ncccc1Cl)CCC2 | Cc1nc2c(s1)[C@H](N(C)C(=O)c1ncccc1Cl)CCC2 | (s1)C[ |
<|startoftext|><L>Cc1nc2c(s1)[C@H](N(C)C(=O)<mask_1:3>1ncccc1Cl)CCC2<mask_1:3> | 1 | 26 | 3 | c | 3 | Cc1nc2c(s1)[C@H](N(C)C(=O)CCc1ncccc1Cl)CCC2 | Cc1nc2c(s1)[C@H](N(C)C(=O)c1ncccc1Cl)CCC2 | CCc |
<|startoftext|><L>Cc1nc2c(s1)[C@H](N(C)C(=O)c1nccc<mask_1:2>)CCC2<mask_1:2> | 4 | 32 | 2 | c1Cl | 2 | Cc1nc2c(s1)[C@H](N(C)C(=O)c1ncccn1)CCC2 | Cc1nc2c(s1)[C@H](N(C)C(=O)c1ncccc1Cl)CCC2 | n1 |
<|startoftext|><L>Cc1nc2c(s1)[C@H](N(C)<mask_1:1>c1ncccc1Cl)CCC2<mask_1:1> | 5 | 21 | 1 | C(=O) | 1 | Cc1nc2c(s1)[C@H](N(C)Cc1ncccc1Cl)CCC2 | Cc1nc2c(s1)[C@H](N(C)C(=O)c1ncccc1Cl)CCC2 | C |
<|startoftext|><L>Cc1nc2c(s1)<mask_1:4>N(C)C(=O)c1ncccc1Cl)CCC2<mask_1:4> | 6 | 11 | 4 | [C@H]( | 4 | Cc1nc2c(s1)CN(CN(C)C(=O)c1ncccc1Cl)CCC2 | Cc1nc2c(s1)[C@H](N(C)C(=O)c1ncccc1Cl)CCC2 | CN(C |
<|startoftext|><L>Cc1nc2c(s1)[C@H](N(C)C(=O)c1ncccc<mask_1:2>C2<mask_1:2> | 6 | 33 | 2 | 1Cl)CC | 2 | Cc1nc2c(s1)[C@H](N(C)C(=O)c1ncccc1)C2 | Cc1nc2c(s1)[C@H](N(C)C(=O)c1ncccc1Cl)CCC2 | 1) |
<|startoftext|><L><mask_1:3>c1nc2c(s1)[C@H](N(C)C(=O)c1ncccc1Cl)CCC2<mask_1:3> | 1 | 0 | 3 | C | 3 | CCCc1nc2c(s1)[C@H](N(C)C(=O)c1ncccc1Cl)CCC2 | Cc1nc2c(s1)[C@H](N(C)C(=O)c1ncccc1Cl)CCC2 | CCC |
<|startoftext|><L>Cc1nc2c(s1)[C@H](N(C)C(=O)c1<mask_1:3>c1Cl)CCC2<mask_1:3> | 4 | 28 | 3 | nccc | 3 | Cc1nc2c(s1)[C@H](N(C)C(=O)c1ccoc1Cl)CCC2 | Cc1nc2c(s1)[C@H](N(C)C(=O)c1ncccc1Cl)CCC2 | cco |
<|startoftext|><L>Cc1nc2c(s1)[C@H](N(<mask_1:4>O)c1ncccc1Cl)CCC2<mask_1:4> | 5 | 19 | 4 | C)C(= | 4 | Cc1nc2c(s1)[C@H](N(C)C(O)c1ncccc1Cl)CCC2 | Cc1nc2c(s1)[C@H](N(C)C(=O)c1ncccc1Cl)CCC2 | C)C( |