Datasets:

DeerEyeRain
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sel_dataset

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train · 715k rows

Output stringlengths 5 127	Input stringlengths 850 1.64k	Instruction stringclasses 1 value
COC(=O)c1cc(Cc2ccccc2)sc1N	ir: 2 2 1 2 2 2 1 6 20 16 7 6 1 4 2 3 1 2 2 1 1 3 2 2 1 1 1 1 2 4 2 2 2 5 10 8 3 3 5 3 5 3 3 1 2 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 3 2 1 1 1 2 3 8 3 2 2 1 2 2 8 2 1 1 1 2 4 3 2 1 2 1 1 1 6 2 1 1 1 1 1 1 1 1 2 3 2 1 1 1 1 1 1 4 2 2 1 1 2 2 1 2 1 5 4 2 2 2 2 2 2 1 3 6 2 1 1 1 1 1 2 5 3 2 1 2 1 1 1 5 15 0 1 4 6 15 59 15 4 3 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 5 10 10 6 4 2 1 2 1 1 1 1 1 1 1 1 1 1 1 4 5 1 2 2 2 1 1 1 1 2 1 5 100 15 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 72 m 2H \| 72 71 m 3H \| 67 67 d 1H J 9 \| 63 63 s 2H \| 42 42 q 2H J 8 \| 39 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C(=O)Oc1ccc(N2C(=O)CC(C)(C)C2=O)cn1)c1ccccc1	ir: 8 17 15 9 12 20 15 6 5 10 6 9 10 9 19 7 6 6 3 10 3 3 4 2 2 2 4 10 8 3 11 7 54 26 8 10 44 16 8 86 25 40 42 16 5 4 4 4 4 8 4 5 7 40 100 27 18 49 35 12 6 3 4 3 7 3 4 23 14 11 49 3 3 4 4 8 9 8 8 3 3 2 3 6 10 4 3 3 3 6 7 7 3 4 7 8 3 3 3 4 6 20 18 8 5 19 3 3 3 5 7 9 12 6 3 3 4 8 4 11 9 7 10 9 70 32 18 8 8 23 6 12 39 0 0 39 61 38 9 2 1 5 15 6 4 4 15 4 14 56 92 59 36 24 67 15 5 3 3 4 39 3 6 2 2 3 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 4 3 3 3 4 3 6 4 2 4 6 6 8 8 33 26 26 74 32 17 13 3 6 4 4 2 3 5 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 85 85 d 1H J 19 \| 80 79 dd 1H J 19 85 \| 75 74 m 2H \| 74 73 m 2H \| 71 70 m 2H \| 33 33 s 3H \| 26 26 s 2H \| 13 12 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CN1CSCC1=O)N1CCC(c2c[nH]c3ccccc23)CC1	ir: 1 18 12 6 4 7 28 15 6 9 5 12 7 17 13 5 4 14 37 4 4 33 6 4 5 36 36 3 4 26 7 0 3 5 4 17 6 3 4 2 12 26 65 34 9 8 3 6 11 26 18 8 5 4 2 2 5 4 4 0 2 2 7 2 2 6 7 5 6 5 2 4 3 6 6 2 3 3 4 3 2 3 4 5 22 4 13 1 3 3 1 1 2 2 1 4 14 4 2 3 30 14 10 15 7 10 5 4 21 11 2 10 4 2 6 3 7 6 11 11 30 44 14 12 9 5 14 11 10 14 13 7 4 3 2 6 14 68 9 5 4 16 13 8 13 10 10 54 100 9 4 16 18 2 31 5 2 1 1 2 2 21 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 2 1 1 2 1 0 1 2 1 0 1 1 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 3 3 14 9 11 5 4 3 4 8 4 10 39 40 10 55 33 14 16 14 2 2 3 3 4 2 2 1 2 3 1 1 2 2 1 2 3 2 2 3 29 76 51 6 4 3 3 1 2 1 1 1 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 87 86 d 1H J 73 \| 76 75 m 1H \| 76 75 m 1H \| 72 71 m 3H \| 46 46 s 2H \| 42 41 s 2H \| 37 36 ddd 2H J 59 86 121 \| 36 35 ddd 2H J 60 86 121 \| 34 33 m 1H \| 34 33 s 2H \| 23 22 ddt 2H J 57 86 126 \| 20 19 ddt 2H J 57 86 126	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@](F)(C(=O)O)C(=O)N[C@@H]1C(=O)N(CC2CC2)c2ccccc2-c2ccccc21	ir: 2 2 1 1 1 1 1 4 5 6 6 3 4 2 3 6 8 4 3 5 40 85 6 4 5 6 4 4 2 6 3 1 1 5 2 6 9 9 13 17 17 45 17 17 6 3 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 3 1 2 3 8 4 13 5 3 7 6 5 4 4 3 6 5 2 3 4 1 1 1 1 1 1 1 2 6 2 1 1 1 1 1 1 2 5 3 2 1 0 4 25 4 4 4 4 4 2 2 2 4 12 4 6 3 2 4 6 8 4 2 2 4 10 5 2 1 1 3 12 3 6 17 33 55 18 26 20 4 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 4 4 1 4 6 12 17 22 0 3 4 3 3 1 2 26 100 8 9 2 1 2 2 1 1 1 2 2 5 5 24 25 4 4 4 1 0 2 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 78 78 ddd 2H J 13 79 91 \| 76 76 dd 1H J 25 103 \| 75 73 m 5H \| 73 73 dd 1H J 15 73 \| 63 63 m 1H \| 40 40 d 2H J 49 \| 20 19 s 1H \| 19 19 s 1H \| 14 13 pt 1H J 48 60 \| 6 5 m 2H \| 4 3 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCC(O)(CC=C)CCCCCCCCCCCC(C)(C)C=O	ir: 5 5 4 4 4 2 4 9 1 8 7 5 4 5 6 9 3 9 5 4 2 3 4 5 1 5 5 4 2 3 4 5 11 17 7 5 3 7 6 12 10 7 5 12 6 11 3 2 4 4 5 2 8 10 5 3 4 2 2 6 4 11 21 25 19 4 18 11 7 9 20 46 26 21 8 5 9 11 49 39 20 8 9 5 6 9 4 4 4 9 11 10 8 7 9 3 11 7 2 8 13 7 9 18 16 9 4 11 35 19 6 11 10 4 4 6 9 14 5 21 15 12 10 15 15 9 8 14 35 8 9 4 4 4 2 6 4 8 24 35 9 7 3 1 4 2 3 7 6 3 20 13 3 1 2 3 2 3 3 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 3 2 5 4 5 9 14 2 15 6 6 7 39 14 11 23 25 23 31 6 6 9 12 12 12 10 19 100 9 4 2 1 2 2 1 1 2 2 1 0 1 1 1 0 1 2 1 1 1 1 1 1 2 2 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 96 95 dp 1H J 10 20 \| 59 58 ddt 2H J 79 112 165 \| 52 52 dq 2H J 13 165 \| 51 50 dq 2H J 13 110 \| 24 24 s 1H \| 23 22 ddt 2H J 13 77 150 \| 21 21 ddt 2H J 15 79 152 \| 16 15 m 4H \| 14 12 m 18H \| 11 11 d 6H J 11	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1nc(C(C)C)sc1C=O	ir: 11 7 2 6 10 6 2 6 6 5 2 5 7 5 1 7 9 5 2 11 8 5 2 6 8 2 2 5 5 2 2 6 5 5 4 6 6 3 4 10 7 5 8 10 10 4 8 12 5 9 16 10 15 8 7 11 8 5 16 10 6 3 8 18 17 0 8 9 4 1 33 8 15 22 14 25 7 2 8 11 8 6 9 8 3 3 10 21 9 5 6 8 4 8 7 7 7 12 28 18 29 16 22 51 37 24 16 21 17 10 10 7 8 14 23 8 17 17 19 19 19 14 18 18 9 7 9 15 4 5 11 3 2 5 5 2 2 4 5 7 18 45 12 5 20 15 11 8 8 22 37 100 27 17 11 6 5 5 5 1 2 5 3 1 2 5 3 0 3 5 3 0 3 5 3 0 3 5 2 1 3 5 2 0 3 5 2 1 3 4 2 1 4 4 2 1 4 4 1 1 4 4 1 1 4 4 1 2 4 4 1 2 5 3 1 2 5 3 1 2 5 3 0 3 5 3 0 3 5 3 0 3 5 2 1 3 5 3 1 3 5 2 1 3 5 2 1 3 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 5 4 4 4 14 7 13 23 9 10 6 9 8 7 3 7 14 18 19 18 16 28 6 8 10 4 2 3 6 2 0 3 5 2 1 3 5 2 1 4 4 2 1 4 4 2 1 4 4 2 1 4 4 1 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 1 2 5 3 0 3 5 3 0 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 5 3 1; 1HNMR: 99 99 s 1H \| 33 32 dq 1H J 61 123 \| 29 28 q 2H J 64 \| 14 14 d 6H J 61 \| 14 13 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(N(C)C(=O)c2ccc(Cl)c(Cl)c2)cc1N1CCN(C)CC1	ir: 2 3 5 7 11 6 3 4 2 4 1 9 7 1 2 2 1 1 1 1 2 1 1 1 3 2 2 3 5 14 3 7 3 2 6 6 10 17 32 17 11 9 4 4 4 3 1 1 2 9 2 2 4 14 34 16 7 2 4 3 4 2 5 9 6 7 7 20 29 7 8 19 21 5 6 11 6 2 6 22 87 13 9 10 15 27 3 6 4 16 4 10 10 20 9 3 6 22 18 8 30 10 3 4 3 11 7 3 3 3 6 26 2 2 1 2 2 2 0 2 6 3 39 8 3 12 6 7 45 17 11 14 1 3 5 2 2 42 1 1 1 1 1 7 29 20 14 10 8 28 16 15 6 10 24 11 2 1 0 1 1 2 1 54 2 1 1 1 1 0 0 0 0 0 0 1 1 1 0 0 1 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 2 2 1 2 3 1 1 2 1 6 4 12 46 48 100 64 24 5 6 6 2 1 4 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 d 1H J 21 \| 78 77 dd 1H J 22 86 \| 77 76 d 1H J 86 \| 70 69 dd 1H J 22 88 \| 68 68 d 1H J 88 \| 64 63 d 1H J 22 \| 39 38 s 3H \| 34 34 s 3H \| 33 32 m 7H \| 30 30 m 2H \| 29 29 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(Cl)c1N1CC=CN2CCN=C21	ir: 1 2 2 2 6 11 6 8 3 3 2 3 3 16 13 10 9 2 5 5 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 3 4 4 3 2 1 1 1 1 1 4 19 5 2 2 2 2 4 3 5 5 1 2 2 5 1 1 1 2 3 2 4 3 2 2 1 1 1 1 1 1 1 1 1 10 12 2 2 1 2 2 7 6 2 2 3 2 4 2 1 1 1 2 9 7 2 1 1 1 2 2 2 2 1 1 1 2 2 1 1 1 2 2 2 2 1 3 3 1 1 2 3 2 1 2 5 100 4 1 0 2 3 3 10 13 6 2 2 59 8 8 5 1 1 6 67 55 4 1 1 2 2 1 1 5 11 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 3 2 9 3 2 15 42 6 5 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 72 dp 1H J 9 81 \| 72 71 dd 1H J 18 77 \| 71 70 m 2H \| 57 57 dt 1H J 31 79 \| 46 45 dd 2H J 9 33 \| 43 43 td 2H J 9 53 \| 36 36 m 2H \| 23 23 d 3H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CO[C@@H]1CC[C@@H](N(C(=O)[C@@H]2CC[C@@H](C)CC2)c2cc(C3CCC(C)(C)CC3)sc2C(=O)O)CC1	ir: 3 4 4 2 3 5 4 3 4 4 4 4 4 6 5 3 3 4 4 4 2 37 100 32 32 9 5 8 5 2 2 3 2 3 6 6 5 5 3 6 4 6 2 3 4 2 3 2 2 2 3 2 3 6 5 3 5 6 8 3 2 3 7 3 3 4 3 3 3 2 3 6 5 6 12 12 3 17 6 18 8 2 2 3 2 2 3 4 3 4 10 4 4 3 3 3 2 2 2 2 2 2 3 4 9 4 5 8 3 5 8 8 8 6 9 6 8 10 8 8 6 8 12 9 7 4 4 3 3 3 3 6 3 3 3 2 1 2 2 3 2 5 5 3 5 3 3 3 5 6 3 2 2 2 2 2 2 7 8 4 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 2 4 3 6 6 4 3 3 5 5 4 7 14 18 6 5 3 2 11 3 3 3 3 2 4 0 18 6 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 68 68 d 1H J 7 \| 40 40 tt 1H J 47 75 \| 37 36 ddtdd 1H J 15 27 39 53 68 \| 34 33 d 3H J 16 \| 27 26 pd 1H J 7 52 \| 25 24 tt 1H J 47 72 \| 20 14 m 25H \| 14 13 dddd 2H J 60 70 84 130 \| 10 9 d 3H J 73 \| 9 9 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccc2[nH]cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N3CCC[C@H]3C(N)=O)c2c1	ir: 5 4 10 10 3 3 4 7 3 7 6 9 10 12 6 10 17 6 13 15 20 18 20 14 19 23 29 10 20 22 26 26 43 20 32 44 75 16 14 8 8 8 7 7 6 3 2 3 2 3 4 6 6 13 5 3 7 1 4 4 3 1 1 5 2 2 5 2 8 7 4 6 6 11 12 4 9 7 4 6 3 5 3 3 1 1 2 2 4 4 6 3 5 2 4 2 4 5 5 9 2 7 10 18 7 9 6 8 20 19 5 4 5 13 3 6 1 6 4 8 10 6 8 6 5 3 3 10 20 9 14 31 38 4 3 3 2 2 2 1 9 31 2 10 20 56 32 28 6 70 6 3 5 18 23 14 4 49 44 18 2 2 1 2 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 0 1 2 3 3 2 3 1 2 3 2 3 3 6 4 5 9 4 20 1 14 10 6 3 7 6 11 2 3 2 2 0 2 2 2 0 2 5 8 31 9 4 3 2 6 19 80 92 29 9 9 25 100 30 4 5 1 1 1 1 3 1 1 1 0 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 96 96 d 1H J 68 \| 73 73 d 1H J 73 \| 72 71 dq 1H J 7 68 \| 70 70 d 1H J 27 \| 69 68 dd 1H J 27 73 \| 66 66 s 2H \| 59 58 d 1H J 82 \| 47 46 dt 1H J 68 82 \| 43 43 ddt 1H J 17 36 52 \| 41 40 q 2H J 67 \| 36 35 ddd 1H J 37 55 119 \| 35 34 m 1H \| 33 33 ddd 1H J 7 68 139 \| 31 30 ddd 1H J 7 68 141 \| 23 22 m 1H \| 20 18 m 4H \| 15 14 t 3H J 67 \| 14 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(O)(c1ccc(C(=O)O)cc1)C(F)(F)F	ir: 2 3 2 3 1 2 1 1 0 1 1 1 2 3 1 2 6 7 4 2 3 27 24 8 1 2 1 1 0 1 2 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 0 0 1 1 2 1 1 1 2 5 10 2 1 1 1 1 1 1 1 0 0 0 0 1 2 4 2 1 2 3 14 16 5 5 6 4 5 3 4 4 7 31 24 5 3 3 2 2 2 1 10 7 1 1 1 4 5 2 5 4 1 0 0 0 1 1 1 1 3 8 7 2 1 1 1 1 2 3 2 1 1 1 2 2 1 2 0 0 0 0 0 0 0 0 0 2 15 12 4 1 0 0 1 1 2 6 6 6 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 1 1 0 0 1 1 0 0 1 1 3 4 3 8 19 7 3 2 1 4 4 15 19 59 100 3 2 1 0 1 1 0 0 1 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 s 1H \| 79 78 m 2H \| 73 72 m 2H \| 37 37 q 1H J 34 \| 16 16 q 3H J 33	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(N)c(Sc2ccc(O)cc2)cc1NC(=O)Cc1ccccc1	ir: 3 3 5 8 1 15 8 9 5 5 5 7 10 6 4 3 3 2 2 2 2 3 2 3 1 2 1 2 2 2 2 17 12 4 7 36 12 7 3 3 9 4 2 1 3 3 1 2 1 2 2 2 11 26 15 9 3 2 2 1 0 1 1 3 4 3 1 3 8 7 4 2 1 4 2 3 1 5 7 22 6 46 6 13 5 2 2 12 5 7 1 1 1 2 0 1 2 2 9 1 3 4 1 1 1 0 1 1 0 1 1 1 1 1 1 1 2 3 0 1 1 2 2 1 2 2 1 1 1 1 1 1 1 1 2 22 3 5 3 1 1 1 9 14 8 9 16 18 11 3 1 8 42 7 24 56 100 34 9 6 3 0 2 6 1 0 1 1 1 0 0 1 1 0 1 0 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 1 0 1 1 1 1 0 1 2 4 2 3 4 3 1 10 50 22 8 4 1 1 2 2 10 3 2 1 0 1 2 1 1 1 3 12 2 1 3 12 24 4 3 1 5 4 15 52 39 10 2 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 87 s 1H \| 74 74 s 1H \| 73 72 m 9H \| 68 68 m 2H \| 67 67 d 1H J 8 \| 43 43 s 2H \| 37 37 t 2H J 8 \| 23 22 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc2cccc(N(COC)S(=O)(=O)c3cccs3)c2n1COC	ir: 4 3 8 12 8 3 4 6 19 14 5 6 9 8 6 9 4 5 2 8 21 7 6 5 15 4 3 2 1 2 1 5 4 1 1 8 1 4 3 12 25 5 2 1 1 4 2 3 9 4 22 2 6 3 1 1 4 20 2 2 3 4 5 14 14 7 5 7 3 4 4 3 5 5 3 6 16 4 15 17 9 42 61 62 36 20 34 8 3 1 2 2 4 8 3 11 0 1 1 1 1 1 2 2 3 3 3 6 29 5 3 37 3 3 5 1 2 1 6 3 2 25 18 5 6 5 4 3 2 6 18 9 2 1 1 1 1 2 5 9 3 2 3 1 1 5 32 1 0 100 10 6 3 6 2 2 1 0 1 1 9 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 2 3 0 2 1 1 0 2 11 6 5 13 14 21 38 37 20 3 2 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 ddd 1H J 11 22 71 \| 76 75 dd 1H J 16 71 \| 74 74 dd 1H J 16 49 \| 74 73 m 2H \| 72 71 m 2H \| 54 54 s 2H \| 52 51 s 2H \| 43 42 q 2H J 64 \| 33 33 d 6H J 95 \| 14 13 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnccc1-c1cc(F)cnc1Cl	ir: 3 9 2 1 2 3 8 5 1 1 12 2 1 5 3 1 0 11 24 7 4 3 2 1 0 2 15 3 2 9 3 0 1 24 6 7 17 22 28 13 15 2 14 3 2 1 2 2 2 1 7 2 1 3 3 1 2 5 1 0 1 2 1 1 3 8 74 70 23 6 10 16 6 21 9 2 2 3 2 6 2 3 2 4 3 2 2 3 3 18 17 4 2 2 2 1 1 3 100 52 21 3 1 1 3 2 1 3 12 42 91 9 65 4 1 12 5 2 3 7 5 6 17 4 8 53 4 16 19 30 11 36 2 2 2 3 2 2 1 3 8 2 3 13 7 3 17 55 14 2 1 3 15 3 16 3 1 2 7 2 2 12 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 2 2 3 4 4 4 10 29 40 17 4 1 2 2 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2; 1HNMR: 88 87 m 2H \| 82 81 dd 1H J 16 141 \| 81 80 d 2H J 22 \| 79 79 t 1H J 23 \| 77 76 dd 1H J 16 121 \| 76 76 d 1H J 47 \| 33 33 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)n1c(C(=O)O)nc2cnc(Br)cc21	ir: 1 2 3 3 2 2 2 1 1 1 2 2 2 5 4 3 2 4 5 3 4 8 17 82 38 19 9 4 2 2 3 2 5 5 3 1 3 8 3 1 1 3 2 0 1 2 2 1 1 3 2 0 1 2 2 0 2 3 2 1 6 7 2 1 4 6 6 3 6 5 2 2 2 3 2 3 7 6 8 13 10 2 1 4 5 4 9 5 3 3 2 2 2 3 8 14 3 3 6 7 4 2 1 2 4 9 2 2 2 2 1 2 4 3 1 4 3 3 6 10 9 7 1 2 6 4 2 3 3 8 6 6 25 23 5 2 2 1 1 2 2 1 1 2 2 1 1 2 2 3 3 14 2 2 1 2 1 0 1 2 1 0 26 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 2 1 2 3 2 4 4 3 2 1 6 5 4 2 2 2 1 1 14 100 15 1 2 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 90 90 s 1H \| 76 76 s 1H \| 49 48 dq 1H J 52 103 \| 16 15 d 6H J 52	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCC(C)Nc1ccc(NCCCOC(C)C)cc1	ir: 18 12 39 28 31 9 15 11 4 13 7 3 5 5 4 10 17 16 4 10 13 4 5 3 2 3 2 4 3 2 2 2 1 2 1 1 2 4 2 3 2 2 2 2 1 2 2 3 1 1 1 3 3 1 30 98 19 8 3 1 2 3 1 1 2 2 2 2 3 6 3 2 11 3 3 3 4 6 4 1 3 4 1 1 1 1 1 1 2 2 1 2 1 1 2 2 3 2 1 1 1 1 1 4 6 24 11 5 4 6 13 4 7 2 3 3 5 10 3 4 2 5 2 5 9 3 3 6 7 6 3 4 8 5 4 5 4 11 18 17 7 9 8 6 3 1 1 2 2 1 5 8 28 73 28 3 1 4 2 1 1 2 1 0 2 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 1 0 1 1 1 0 0 1 0 1 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 2 3 3 2 2 2 2 5 12 22 10 9 26 10 4 3 2 3 3 1 0 1 2 1 0 2 2 2 1 2 6 4 4 18 16 28 100 91 21 11 8 3 2 5 3 1 2 2 2 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 66 65 m 4H \| 46 45 t 1H J 47 \| 39 38 d 1H J 79 \| 36 35 m 2H \| 35 34 t 2H J 59 \| 33 33 td 2H J 47 57 \| 18 17 p 2H J 59 \| 17 16 dtd 1H J 67 83 136 \| 14 13 m 1H \| 14 13 m 2H \| 13 12 m 5H \| 13 12 m 1H \| 12 11 dd 9H J 30 60 \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Brc1ccc(CN2CCN[C@@H](Cc3ccccc3)C2)cc1	ir: 1 1 4 2 2 1 4 2 2 1 2 0 1 1 5 1 0 0 0 0 0 0 1 0 2 1 5 2 0 1 3 4 9 3 1 6 1 0 2 3 56 9 6 1 3 5 2 2 1 11 9 2 2 9 21 19 63 42 25 4 3 4 3 3 1 1 4 11 18 1 2 1 1 2 5 8 4 14 5 4 4 2 20 18 8 3 2 1 1 2 1 2 17 8 4 2 1 3 4 6 7 5 2 2 2 7 30 45 26 7 7 3 2 3 1 1 1 2 3 1 2 2 5 6 26 3 6 3 3 22 23 11 5 5 5 18 4 1 0 0 1 2 26 25 11 8 15 4 2 1 2 9 4 2 1 2 1 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 1 1 0 1 2 3 2 2 1 1 3 2 1 1 18 11 21 69 27 9 3 7 1 2 2 3 1 1 1 2 1 0 4 5 7 15 71 100 32 13 3 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 m 2H \| 73 72 m 5H \| 72 72 m 2H \| 36 35 m 2H \| 32 31 qdd 1H J 18 46 73 \| 29 27 m 6H \| 26 25 m 2H \| 22 22 dt 1H J 29 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@]12C[C@H](Br)[C@@H](O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C#N)[C@@]3(C)CC(=O)[C@@H]12	ir: 15 7 1 7 13 6 1 12 14 6 2 11 13 5 6 11 12 4 7 10 11 9 3 9 10 5 18 15 10 3 3 11 13 5 4 10 8 3 9 12 9 1 5 11 8 0 6 12 21 0 5 12 7 1 7 12 11 14 8 12 6 7 9 15 6 4 8 13 9 9 17 14 7 8 12 15 4 5 34 16 5 4 12 10 8 15 15 30 83 8 22 17 7 9 19 13 6 8 15 10 1 5 14 13 8 10 16 16 9 17 26 11 3 8 18 13 2 8 15 6 4 9 17 12 11 10 23 6 3 9 14 11 6 15 12 5 4 10 13 8 6 11 10 10 26 19 10 3 4 10 8 2 4 10 8 2 4 10 7 1 5 10 7 1 5 11 6 0 5 11 6 0 6 11 5 1 6 10 5 3 8 10 5 1 7 10 4 2 7 9 4 2 8 9 4 2 8 9 3 3 8 9 3 3 9 8 2 4 9 8 2 4 9 7 2 5 10 7 1 5 10 6 1 5 10 6 1 6 11 6 1 6 10 5 1 6 10 5 2 7 9 5 2 7 9 4 2 7 9 4 3 8 9 4 3 8 8 3 3 8 8 3 4 9 7 2 5 10 8 3 7 13 8 7 16 14 18 9 8 15 18 12 11 16 24 15 11 17 7 2 7 11 6 3 15 100 7 3 7 9 5 3 7 9 5 4 8 9 4 3 8 8 4 4 8 8 4 4 9 7 3 4 9 8 3 4 9 7 3 5 9 6 2 5 9 6 2 5 10 6 2 6 10 6 2 6 9 5 2 6 9 5 2 6 9 5 3 7 8 4 3 7 8 4 3 7 8 4 3 7 8 4 4 8 7 3 4 8 7 3 4 8 7 3 5 8 6 3 5 9 6 2 5 9 6 2 5 9 6 2; 1HNMR: 43 42 td 1H J 51 77 \| 41 40 dddt 1H J 39 48 68 77 \| 30 30 d 1H J 49 \| 26 26 d 1H J 159 \| 24 23 m 2H \| 23 22 dd 1H J 51 143 \| 21 19 m 4H \| 19 17 m 4H \| 16 12 m 7H \| 10 10 d 5H J 108	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2c(C(=O)O)n[nH]c2c1	ir: 5 18 9 6 28 4 4 4 4 5 4 5 4 4 6 4 5 5 5 4 5 10 49 24 16 40 3 5 5 8 5 6 13 5 4 5 6 8 5 7 5 5 4 4 4 4 4 4 4 4 4 4 6 4 4 6 4 4 4 4 4 6 4 4 5 5 5 4 5 5 4 5 5 5 5 5 5 31 5 11 12 3 4 4 4 4 6 6 7 6 5 5 5 4 5 4 5 4 4 4 5 5 14 7 6 9 13 9 18 12 16 16 4 4 5 4 4 4 4 5 5 7 7 5 8 6 8 5 5 5 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 5 5 6 8 7 5 5 7 7 0 20 4 4 5 4 3 4 6 6 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 5 6 5 10 10 10 4 7 6 4 2 5 8 1 100 21 2 5 6 4 3 5 5 4 4 6 5 4 7 7 7 6 7 7 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 80 80 d 1H J 86 \| 75 75 d 1H J 25 \| 72 72 m 1H \| 24 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C(=O)NCCO)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C	ir: 4 6 5 9 4 7 9 7 15 7 9 9 11 8 4 7 7 9 3 5 7 3 5 7 5 7 9 16 13 11 14 10 5 6 5 11 8 20 18 7 11 37 11 11 4 1 8 3 4 1 3 6 10 34 48 43 23 11 8 5 4 1 4 17 7 4 5 5 7 9 2 3 1 1 3 6 7 11 3 3 3 3 5 12 12 5 4 11 6 3 10 30 18 10 24 20 12 13 11 5 3 9 8 8 7 12 4 4 2 7 10 5 10 5 4 3 1 4 2 2 2 4 5 4 5 7 10 5 5 5 11 3 8 4 11 19 13 4 5 2 1 11 22 67 19 76 24 32 8 1 26 19 30 10 25 8 17 2 1 50 11 0 2 2 5 4 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 3 2 1 2 3 2 0 2 7 6 6 10 27 15 4 3 4 19 11 8 3 3 0 1 2 1 1 1 3 2 0 3 4 4 1 25 100 22 49 73 13 11 6 1 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 87 s 1H \| 81 81 s 1H \| 77 76 dd 1H J 20 82 \| 76 75 d 1H J 83 \| 74 74 d 1H J 20 \| 74 73 t 1H J 56 \| 51 51 t 1H J 57 \| 45 44 t 2H J 128 \| 41 41 p 1H J 46 \| 39 39 s 3H \| 37 37 s 3H \| 36 35 dt 2H J 47 56 \| 34 34 dt 2H J 47 57 \| 22 22 m 1H \| 20 19 m 2H \| 18 17 m 2H \| 17 16 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)[C@@H]1CC[C@@H]2COCC(=O)N2C1	ir: 1 1 1 1 0 2 1 1 2 6 3 17 6 7 11 6 4 2 5 7 20 100 65 28 20 8 2 2 2 1 1 1 2 2 3 3 1 1 1 2 2 0 0 1 1 0 1 1 1 1 10 9 1 1 2 1 2 1 0 1 1 1 1 1 1 1 1 1 2 3 1 2 1 2 6 3 8 12 51 27 4 3 2 2 0 1 5 3 2 2 2 2 1 1 2 1 3 1 6 5 1 12 7 2 2 2 4 3 2 2 1 2 1 10 6 7 4 2 1 2 3 4 4 4 2 2 2 1 0 1 1 1 2 1 1 1 0 4 5 4 6 5 7 21 18 3 3 1 3 34 20 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 0 1 1 1 1 4 3 1 1 2 2 3 4 2 8 11 5 1 2 0 1 0 0 1 1 1 1 17 30 7 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 42 42 d 1H J 137 \| 42 41 d 1H J 137 \| 39 37 m 3H \| 37 36 dd 1H J 64 115 \| 36 36 dd 1H J 53 104 \| 27 26 dddd 1H J 36 50 64 79 \| 20 19 m 2H \| 18 16 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-c2ccc(Cl)cc2)nc(-n2cnc(-c3ncc(S(=O)(=O)NC(C)(C)C)s3)c2)n1	ir: 7 4 7 5 1 7 9 3 16 17 45 13 11 8 10 9 15 2 2 3 2 3 2 5 4 3 1 1 2 2 1 1 2 8 5 1 1 3 6 9 14 21 31 81 9 6 8 2 10 1 4 9 27 11 23 3 4 1 1 2 3 4 8 6 7 16 56 7 9 8 5 9 2 2 2 1 4 3 9 9 2 4 18 4 19 55 19 7 9 10 9 16 5 16 4 5 6 12 15 3 1 3 6 3 6 2 4 3 2 2 5 2 61 12 19 45 5 15 5 12 10 2 4 7 3 3 4 4 18 4 6 13 12 7 4 9 9 3 1 3 5 12 100 83 23 5 4 21 11 7 3 13 2 1 2 9 19 21 3 0 1 2 1 23 4 2 1 0 1 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 2 2 1 2 1 1 1 1 1 1 1 2 3 14 26 4 41 17 10 25 3 3 2 2 1 1 1 1 1 0 1 0 0 1 0 1 2 4 23 53 9 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 84 m 2H \| 83 82 s 1H \| 76 76 m 2H \| 74 73 m 4H \| 64 64 s 1H \| 25 25 s 3H \| 12 12 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1C(CN(C)C)NC(=O)c1sccc1Nc1ccnc2[nH]ccc12	ir: 15 15 15 14 14 14 14 14 14 15 15 14 14 15 16 14 13 15 15 14 13 17 17 16 10 100 0 21 20 14 13 16 15 14 13 17 19 14 15 16 15 15 18 15 16 17 19 18 27 29 23 29 22 17 17 15 14 13 14 15 14 13 14 17 15 14 15 15 14 13 14 15 14 16 18 16 14 15 15 15 14 15 17 17 14 14 15 18 15 15 15 17 22 15 16 16 17 14 14 15 14 14 15 14 14 14 15 14 14 16 15 15 16 19 16 16 14 15 22 16 15 15 15 14 15 15 15 15 14 14 14 14 14 15 15 16 19 22 16 14 19 15 16 15 15 15 21 29 20 19 15 14 16 18 15 17 15 16 21 15 15 15 16 35 15 15 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 15 15 15 14 17 20 22 21 20 17 15 14 14 15 14 14 14 14 14 14 14 14 14 14 15 15 16 17 18 43 58 26 24 18 15 14 15 15 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14; 1HNMR: 98 98 d 1H J 63 \| 85 85 s 1H \| 84 84 d 1H J 40 \| 77 76 d 1H J 55 \| 74 73 ddd 1H J 7 15 80 \| 73 73 d 1H J 81 \| 73 72 ddd 1H J 14 74 85 \| 72 71 d 1H J 53 \| 71 71 ddd 1H J 12 75 84 \| 70 70 d 1H J 49 \| 70 69 m 3H \| 51 50 dtd 1H J 7 46 81 \| 39 38 s 3H \| 32 31 dd 1H J 46 119 \| 28 28 dd 1H J 46 119 \| 24 23 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=Cc1ccnc(OCC(=O)OC)c1C(=O)OCC	ir: 27 46 29 21 20 12 5 22 10 9 9 9 2 5 12 28 7 24 13 9 5 7 9 7 2 9 8 6 8 22 9 7 6 9 9 9 1 1 5 6 37 13 4 0 5 9 31 58 11 2 4 1 5 6 5 2 4 4 4 5 7 5 11 22 12 12 3 2 6 8 20 99 76 44 22 15 21 6 4 2 3 2 4 17 12 12 4 6 6 4 2 2 2 3 3 2 13 17 18 9 13 37 22 7 3 8 8 15 35 41 5 41 24 20 13 6 11 12 12 15 25 7 22 100 13 29 14 7 19 12 10 9 5 5 6 6 3 7 30 22 20 21 10 42 50 20 13 19 37 55 31 40 58 10 9 21 64 37 24 16 12 12 30 17 6 3 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 4 2 2 2 2 2 3 12 4 5 6 12 4 10 17 52 69 24 37 23 7 11 11 29 2 5 4 4 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 81 d 1H J 57 \| 72 72 d 1H J 55 \| 72 71 dd 1H J 111 166 \| 58 57 dd 1H J 24 165 \| 57 56 dd 1H J 24 110 \| 49 49 s 2H \| 44 43 q 2H J 64 \| 38 37 s 3H \| 14 14 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1cc(-c2ccc(S(=O)(=O)Nc3cc(F)c(C(=O)O)cc3F)nc2)ccn1	ir: 2 3 2 2 2 3 1 3 5 2 2 2 2 2 2 1 3 4 5 2 13 17 3 5 7 4 11 2 4 1 2 2 1 1 2 5 2 2 1 4 2 6 8 4 4 3 4 2 1 1 2 4 10 27 12 5 6 1 3 2 1 1 1 2 7 3 4 8 8 40 3 2 9 3 5 1 3 7 24 4 1 2 2 3 10 22 5 3 2 1 8 2 1 2 1 10 2 1 1 3 28 2 2 1 1 5 4 1 4 1 1 1 1 1 1 4 20 12 23 26 5 2 2 1 1 1 1 2 3 6 2 2 1 15 3 12 3 4 2 0 0 1 1 1 1 1 11 10 4 3 1 4 28 10 2 2 1 3 3 1 0 0 5 3 8 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 1 1 0 1 2 2 3 4 4 2 34 13 3 1 1 1 1 1 1 11 30 2 1 1 0 1 1 1 1 1 1 1 3 1 2 3 3 19 100 17 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 97 97 d 1H J 35 \| 88 87 d 1H J 19 \| 86 86 d 1H J 49 \| 84 84 d 1H J 87 \| 83 82 dd 1H J 19 87 \| 77 77 m 2H \| 75 74 dd 1H J 22 49 \| 70 69 dd 1H J 43 121 \| 32 31 heptd 1H J 9 66 \| 14 13 d 6H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C=Cc1cccc(OCc2ccccc2)c1C	ir: 3 3 4 4 5 4 5 8 5 9 8 3 6 5 7 6 4 6 4 6 2 3 3 2 2 3 3 4 13 10 7 8 6 5 7 10 5 5 10 58 9 10 51 13 24 11 11 17 12 13 7 6 5 6 4 2 3 3 3 2 3 3 3 2 5 8 10 5 10 8 4 2 4 5 4 14 8 6 7 4 5 6 4 3 6 5 3 2 11 17 4 21 10 5 5 12 4 7 5 6 5 2 0 2 7 5 19 60 16 6 11 7 2 4 4 4 6 5 4 3 3 6 4 3 6 4 1 3 6 5 8 10 20 9 11 41 13 7 4 17 11 8 52 95 12 9 6 17 22 8 6 9 7 6 3 3 13 14 4 2 2 6 37 2 2 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 2 4 3 2 3 3 3 3 3 5 3 5 4 4 9 14 26 66 68 100 60 25 9 11 4 8 6 3 3 2 2 2 1 2 2 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 76 m 1H \| 74 73 m 5H \| 72 71 m 1H \| 71 71 m 1H \| 69 69 dd 1H J 16 77 \| 63 62 d 1H J 161 \| 51 50 d 2H J 9 \| 42 41 q 2H J 61 \| 23 23 s 2H \| 13 12 t 3H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(C)n1ncc(C#Cc2ccccc2)c1N	ir: 2 4 5 18 63 37 17 18 3 5 11 2 2 1 3 1 1 2 1 1 2 1 1 2 3 3 2 2 3 5 2 2 1 12 2 1 1 2 7 10 3 3 2 3 3 3 3 2 2 2 1 3 2 1 3 2 3 2 2 1 1 1 1 3 2 1 1 2 7 1 1 1 3 2 3 11 2 4 5 4 1 1 1 1 2 21 2 1 0 1 1 1 1 1 5 2 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 4 2 1 1 1 1 1 1 1 1 1 3 2 2 1 2 1 1 1 1 1 2 5 1 2 6 1 1 4 25 1 3 1 5 22 1 1 1 8 6 2 2 1 2 7 100 30 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 2 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 0 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 5 10 1 3 22 9 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 2 1 1 1 1 1 0 1 1 1 0 11 55 3 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1; 1HNMR: 78 78 s 1H \| 76 76 m 2H \| 74 73 m 3H \| 59 58 q 1H J 35 \| 38 38 s 2H \| 37 37 dq 1H J 55 108 \| 36 35 dq 1H J 54 109 \| 16 16 d 3H J 37 \| 10 10 t 3H J 55	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C(O)c1ccc(F)c(C(F)(F)F)c1	ir: 8 5 3 4 7 2 2 5 16 8 2 4 6 10 3 7 4 4 3 5 6 2 1 5 6 6 2 4 4 2 1 4 3 2 4 8 9 10 12 12 5 2 3 12 11 3 3 5 3 1 3 4 6 2 16 16 5 0 5 7 3 3 8 7 5 5 8 13 8 9 8 8 5 3 6 6 3 5 9 8 4 11 11 6 21 18 34 36 27 52 50 8 6 6 7 5 3 16 27 18 5 3 5 5 16 14 26 10 1 4 9 4 0 3 5 4 3 6 11 5 14 18 18 7 4 4 4 5 7 5 8 3 2 3 4 1 1 3 4 2 1 6 20 10 2 5 4 2 3 20 7 2 2 6 6 1 3 4 3 0 2 4 4 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 3 4 1 1 3 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 4 3 1 1 4 3 1 2 4 3 1 2 4 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 3 1 2 4 3 1 4 4 4 2 2 4 4 2 3 6 6 4 6 7 10 4 32 100 54 8 5 7 4 5 37 72 5 6 6 4 2 2 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 1 2 4 3 1 2 3 2 1 2 3 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 77 77 ddp 1H J 9 17 28 \| 73 72 m 1H \| 72 71 dd 1H J 71 101 \| 47 47 ddddd 1H J 9 17 23 54 68 \| 28 27 d 1H J 59 \| 22 20 m 1H J 69 \| 10 10 dd 3H J 15 70 \| 10 9 dd 3H J 15 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)cn(COC(=O)c3ccc(O)cc3)c12	ir: 3 8 14 11 20 4 4 5 3 5 5 6 6 13 18 5 2 6 6 5 3 3 3 2 3 2 3 3 2 2 4 2 4 7 4 2 2 4 4 3 4 3 3 3 3 3 8 13 2 3 4 4 8 21 30 60 32 8 7 4 7 7 12 9 6 5 12 3 6 12 5 2 2 3 2 5 5 25 2 2 13 15 17 19 4 3 2 3 24 9 3 2 3 9 4 3 4 3 2 3 4 2 2 3 12 9 13 4 4 2 1 3 4 4 7 10 5 6 4 4 7 7 0 5 6 4 5 3 3 1 1 2 2 1 1 2 2 1 1 2 3 2 15 61 12 19 6 20 7 22 7 94 5 5 7 6 4 1 2 4 2 2 5 3 1 0 1 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 6 3 2 2 1 3 2 1 5 2 3 1 3 3 3 4 10 6 17 78 30 10 9 6 6 4 7 100 11 3 3 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 79 78 m 3H \| 76 75 m 2H \| 75 74 s 1H \| 72 71 dd 1H J 92 101 \| 71 70 dd 1H J 48 91 \| 70 70 m 2H \| 69 69 m 2H \| 62 62 d 2H J 10 \| 40 40 t 2H J 54 \| 38 38 s 2H \| 18 17 qt 2H J 53 78 \| 11 11 t 3H J 78	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)Cc1cccc(-c2ccc3c(n2)NCC(C)(C)O3)c1	ir: 1 1 2 1 2 1 1 1 2 9 4 5 3 6 3 2 1 1 1 1 1 1 1 1 1 3 0 1 2 1 3 4 1 0 3 1 1 1 4 20 5 4 2 3 1 8 1 0 6 1 2 1 2 3 21 3 1 1 1 0 1 1 2 6 4 2 1 5 2 2 1 1 1 1 1 0 1 2 1 1 1 2 1 1 1 1 1 8 3 2 3 3 3 6 4 1 1 1 5 5 2 1 1 1 0 1 1 1 0 1 0 1 1 1 1 1 11 3 1 3 3 1 1 1 2 4 2 2 2 4 7 6 2 1 1 1 0 2 2 8 100 8 6 3 3 0 1 2 2 26 3 9 11 2 2 2 2 1 15 1 1 0 1 2 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 5 8 1 3 36 13 5 2 1 2 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 3 4 6 5 8 12 13 2 1 1 1 1 1 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 m 2H \| 75 75 d 1H J 79 \| 75 74 t 1H J 79 \| 73 73 ddq 1H J 10 22 81 \| 70 70 d 1H J 79 \| 63 63 t 1H J 42 \| 38 38 d 2H J 42 \| 36 36 t 2H J 9 \| 23 22 s 5H \| 14 13 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc2c(NCc3ccccc3)nc(-c3ccccn3)nc2s1	ir: 2 3 4 4 1 3 3 2 2 2 2 2 2 2 5 3 5 2 3 2 2 5 5 1 2 4 4 4 9 6 10 3 2 5 4 2 3 5 14 90 38 75 25 6 8 2 5 9 4 4 2 3 3 9 8 5 3 2 2 2 1 1 4 3 3 1 4 21 3 4 2 1 2 1 2 1 2 2 11 9 3 4 2 2 1 1 1 2 4 8 2 2 2 2 2 1 2 4 3 2 2 2 8 3 3 4 5 22 11 4 1 9 7 3 4 3 3 3 5 2 3 3 2 5 9 3 1 1 2 3 4 4 3 3 4 6 6 19 16 12 7 1 12 42 100 18 6 5 8 18 2 98 14 12 6 0 3 68 5 0 1 4 2 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 2 2 1 3 3 7 6 4 33 12 13 6 6 3 2 2 2 2 2 2 1 1 2 1 2 2 2 1 1 2 2 3 2 20 70 25 7 1 3 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 88 dd 1H J 16 40 \| 85 84 dd 1H J 14 92 \| 78 78 ddd 1H J 17 71 91 \| 74 72 m 6H \| 69 68 m 2H \| 48 48 dt 2H J 9 55 \| 29 28 qd 2H J 8 68 \| 13 13 t 3H J 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(C2c3ccccc3S(=O)(=O)N2C(C)C)c2ccccc2n1CC(=O)O	ir: 2 1 1 3 4 2 1 3 3 2 7 8 10 5 6 5 2 1 2 7 13 13 11 10 6 11 3 3 2 1 1 6 4 2 2 2 1 1 2 4 2 4 24 7 6 2 2 1 1 1 1 1 1 1 2 3 4 1 2 3 1 0 4 5 1 1 1 3 1 2 8 6 1 1 1 3 3 7 5 32 9 5 6 3 1 100 23 11 4 2 4 2 6 14 4 2 1 2 2 3 2 1 1 1 1 1 7 2 1 2 2 1 0 1 2 2 3 2 4 3 3 3 3 3 1 2 2 3 2 5 2 6 2 1 1 1 3 10 12 4 4 4 2 9 6 3 7 8 4 3 1 7 2 1 1 0 0 5 0 0 1 1 0 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 2 2 1 0 1 1 1 1 1 1 1 1 3 2 8 2 8 14 18 5 2 1 1 2 2 0 63 59 11 4 2 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 79 78 m 1H \| 78 77 dt 1H J 8 73 \| 76 75 m 3H \| 73 73 m 2H \| 72 71 m 1H \| 53 53 d 1H J 6 \| 50 50 s 2H \| 40 39 hept 1H J 77 \| 23 23 s 2H \| 13 13 d 3H J 77 \| 12 12 d 3H J 75	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)N1CC=C(c2ccc(OCC3CCNCC3)cn2)CC1	ir: 28 34 22 9 24 22 16 15 14 6 3 5 8 7 5 5 3 2 6 6 3 6 4 3 4 4 11 13 4 30 4 6 5 7 14 30 26 17 15 12 11 7 4 8 10 3 5 6 11 20 21 54 38 26 31 6 13 14 15 4 6 11 7 6 10 13 18 42 42 42 25 25 12 7 10 12 33 5 5 11 28 77 23 7 9 26 8 25 37 100 52 5 6 8 6 5 6 5 6 8 6 9 7 22 37 28 9 24 17 27 19 38 96 20 26 18 24 28 28 14 10 13 9 13 16 10 0 19 28 23 8 9 12 9 5 25 28 14 7 10 13 5 2 3 3 2 2 6 6 8 11 5 7 4 3 4 3 2 2 2 4 18 11 4 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 2 2 2 2 1 1 2 2 2 1 2 3 2 2 3 2 2 3 4 6 4 5 5 5 5 9 5 5 27 35 30 22 32 36 24 4 7 5 3 3 2 3 4 2 2 2 9 5 6 8 17 30 35 40 17 9 7 4 3 2 2 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 81 81 d 1H J 19 \| 74 73 d 1H J 83 \| 70 69 dd 1H J 20 84 \| 66 65 tt 1H J 9 44 \| 47 47 p 1H J 40 \| 41 41 d 2H J 48 \| 37 36 dt 2H J 11 46 \| 35 34 m 2H \| 31 30 m 2H \| 29 29 dddd 2H J 24 38 51 134 \| 29 28 s 2H \| 28 27 dddd 2H J 26 40 53 134 \| 21 20 pt 1H J 48 65 \| 18 17 dddd 2H J 25 52 66 135 \| 15 14 dddd 2H J 25 52 64 134	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)c[nH]c12	ir: 4 2 3 2 1 5 5 2 1 2 4 3 4 6 3 2 2 2 3 2 2 2 2 3 2 3 2 2 1 2 2 1 3 2 5 9 3 4 2 1 1 2 2 5 7 4 10 19 11 42 100 8 11 10 14 27 9 8 6 1 3 5 3 2 10 10 5 24 8 23 12 3 8 6 7 3 3 8 3 1 2 3 1 2 8 4 5 20 11 3 0 1 3 3 2 3 3 2 0 1 3 4 7 3 4 4 43 2 2 2 1 1 3 2 1 1 3 2 1 3 3 1 1 3 5 6 2 2 3 1 0 4 13 2 0 3 4 7 36 4 4 23 3 3 3 1 10 46 34 4 13 8 4 6 4 59 8 13 33 4 3 49 5 0 2 2 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 4 4 0 5 12 40 22 13 14 22 6 2 4 2 1 2 2 2 2 1 2 1 1 2 2 2 4 3 3 2 2 4 31 30 36 27 7 4 2 5 3 4 3 2 2 2 1 2 2 2 2 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 82 81 d 1H J 66 \| 77 77 d 1H J 64 \| 76 75 m 2H \| 71 70 m 2H \| 70 70 m 2H \| 49 49 s 2H \| 38 38 s 3H \| 35 35 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N1CCC(=O)N(C(C)=O)C1=O	ir: 2 4 6 3 2 4 7 7 3 7 7 5 3 4 5 5 4 11 24 7 13 8 5 7 7 7 10 5 5 5 5 3 3 4 4 3 4 6 7 3 4 5 4 4 11 19 32 26 21 7 5 2 5 6 4 3 4 6 4 4 6 9 4 2 4 7 6 10 21 11 19 13 15 9 4 3 5 5 3 2 5 5 3 3 4 4 2 3 4 5 4 3 5 4 2 3 5 4 4 4 6 6 5 4 6 4 2 4 8 7 4 8 6 4 4 5 6 9 8 7 10 8 18 9 8 9 7 11 6 8 5 6 6 10 19 22 9 5 5 5 5 3 3 5 5 16 32 34 5 7 11 72 86 10 7 0 100 13 35 8 5 1 3 6 4 1 3 6 4 1 3 6 3 1 4 5 3 1 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 4 2 2 4 4 2 2 4 4 2 3 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 2 3 5 3 2 3 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 4 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 7 7 5 4 5 6 5 4 6 4 3 6 8 7 24 11 9 5 4 5 5 4 2 4 5 3 2 4 5 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 2 3 4 4 2 3 4 4 2 3 4 4 2 3 4 3 2 3 5 3 2 3 5 3 2 3 4 3 2 4 4 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4; 1HNMR: 40 40 m 2H \| 28 28 m 2H \| 24 24 s 3H \| 24 23 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(F)c1-c1ncnc(Nc2cccc(CS(N)(=O)=O)c2)n1	ir: 4 5 5 15 3 3 5 7 0 3 1 2 2 1 2 2 2 1 1 1 2 3 2 3 2 4 4 5 16 8 11 6 4 5 3 5 3 4 4 3 2 3 1 1 2 1 6 11 6 3 6 17 11 4 3 4 2 3 10 2 2 1 1 1 1 1 2 3 14 5 3 2 1 2 2 2 2 1 4 4 5 10 9 13 11 24 14 8 23 22 6 9 5 3 4 2 2 4 12 3 2 3 2 5 12 3 2 2 4 5 3 2 2 2 2 2 2 7 6 16 18 5 2 2 2 2 1 2 2 3 2 1 1 1 1 2 2 3 3 6 12 6 3 4 18 11 12 7 21 4 3 1 1 1 2 7 13 100 4 3 2 2 3 17 5 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 2 6 3 2 4 35 9 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 2 6 18 5 4 6 10 47 29 27 18 8 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 d 2H J 29 \| 75 74 ddd 1H J 13 22 79 \| 74 73 m 2H \| 73 72 m 3H \| 70 69 dd 1H J 12 77 \| 45 44 d 2H J 9 \| 39 39 s 3H \| 34 34 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCNC1(CN)CCN2CCc3c(oc4ccccc34)C2C1	ir: 1 1 1 1 0 1 2 2 2 1 1 1 1 3 1 0 0 1 1 1 1 1 1 1 1 2 2 3 2 5 3 1 4 9 10 12 9 8 5 4 3 22 100 6 2 3 3 1 2 2 2 3 3 2 2 3 7 0 14 16 4 6 4 3 5 2 1 9 3 3 28 17 11 8 6 1 6 2 2 1 1 2 10 4 4 13 3 3 13 3 1 1 2 3 0 1 1 1 1 2 2 6 1 1 1 1 0 1 1 1 1 5 4 4 10 6 2 4 3 2 3 2 3 9 1 9 4 3 2 16 5 4 7 5 6 6 13 30 7 6 3 1 1 2 2 3 3 1 1 0 8 1 0 0 0 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 1 1 1 1 4 3 2 2 4 4 7 21 5 5 3 2 3 2 1 2 1 1 2 2 3 5 9 7 4 6 20 20 18 8 7 2 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 dd 1H J 15 92 \| 74 74 dd 1H J 16 66 \| 74 73 ddd 1H J 13 67 87 \| 73 72 td 1H J 16 89 \| 58 57 ddt 1H J 48 103 159 \| 53 52 dq 1H J 10 158 \| 51 51 dtd 1H J 8 16 102 \| 38 38 t 1H J 56 \| 34 33 dtt 1H J 14 50 146 \| 33 32 m 1H \| 32 32 t 1H J 53 \| 32 31 m 1H \| 30 28 m 5H \| 27 26 m 2H \| 23 22 dd 1H J 57 141 \| 20 19 dd 1H J 56 142 \| 19 18 ddd 1H J 34 60 134 \| 17 16 ddd 1H J 34 61 134 \| 13 12 t 2H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(N2C(=O)COCC2CO)c1I	ir: 20 17 17 5 23 13 4 5 14 4 2 4 4 4 6 3 7 3 6 6 2 3 2 2 2 13 11 5 8 6 5 2 2 3 9 13 3 4 3 9 8 2 3 3 3 2 6 6 2 2 6 1 4 4 3 2 1 1 2 2 1 1 2 2 3 1 3 1 2 2 2 4 4 1 4 4 2 1 3 2 1 1 4 7 3 4 26 14 22 27 67 23 20 9 6 4 3 2 1 2 2 2 2 2 5 5 2 2 3 1 1 1 1 1 1 1 4 3 2 2 4 3 6 6 3 1 1 1 5 4 7 3 1 3 3 1 1 1 1 1 2 8 10 4 10 22 15 6 7 26 1 3 5 13 2 2 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 1 1 1 0 1 1 1 1 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 3 2 1 1 1 2 1 2 4 5 3 3 2 1 1 2 6 12 28 39 100 26 12 4 3 2 2 1 1 2 2 3 5 11 7 7 17 14 13 8 4 1 2 2 1 1 1 1 1 1 1 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 t 2H J 68 \| 44 43 d 1H J 137 \| 43 42 d 1H J 137 \| 41 39 m 9H \| 38 38 m 2H \| 38 37 m 3H \| 36 35 ddd 2H J 48 68 134 \| 35 34 ddd 2H J 48 55 126 \| 34 33 ddd 2H J 48 68 132	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(CCBr)c1ccc(F)cc1	ir: 2 1 0 7 3 2 2 2 2 1 15 14 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 6 2 1 2 2 0 1 2 1 0 1 2 4 3 6 2 2 1 4 3 2 1 30 45 4 1 2 2 1 1 2 2 2 6 14 6 4 3 2 2 1 1 1 2 1 1 1 11 4 0 2 2 1 4 4 2 2 1 2 2 2 3 6 30 2 1 3 2 1 10 15 39 7 5 5 3 12 25 20 3 2 2 4 3 2 7 26 6 1 4 9 4 2 4 3 1 1 1 2 1 0 1 2 1 1 1 2 1 1 4 3 2 4 5 23 4 10 18 3 12 17 4 2 1 1 2 2 0 8 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 0 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 3 9 18 2 3 6 2 1 4 17 53 15 100 65 11 9 9 9 3 2 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0; 1HNMR: 77 77 m 2H \| 72 72 m 2H \| 40 40 t 2H J 51 \| 33 32 t 2H J 52	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCOc1ccc(C2CCC(=O)CC2)c(F)c1F	ir: 4 1 0 1 2 5 1 3 2 7 17 11 3 1 3 2 1 2 3 4 3 7 6 4 1 1 2 3 2 2 7 10 2 1 1 1 3 3 10 5 3 1 2 3 5 5 1 1 1 1 1 1 13 27 22 30 13 11 4 0 3 17 1 3 3 12 4 2 3 9 5 4 1 2 3 7 10 1 3 1 1 1 1 1 0 1 1 3 2 3 3 8 2 1 3 4 4 30 6 1 2 4 3 4 4 7 4 2 6 7 13 19 9 7 12 10 7 5 14 7 17 9 28 22 25 17 13 4 10 6 2 1 2 5 18 10 4 1 4 1 4 5 5 6 86 63 10 3 1 2 2 3 40 5 1 1 1 1 1 4 5 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 1 1 0 1 1 1 0 1 1 0 1 1 0 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 2 2 4 3 5 19 11 19 9 5 4 6 5 10 5 7 100 37 19 93 41 0 2 4 2 1 2 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 70 69 m 1H \| 67 67 dd 1H J 48 95 \| 41 41 t 2H J 61 \| 31 30 m 1H \| 27 26 ddd 2H J 57 84 148 \| 26 25 ddd 2H J 57 84 148 \| 22 21 ddt 2H J 57 84 137 \| 19 18 ddt 2H J 57 84 134 \| 18 18 tt 2H J 60 70 \| 15 14 m 2H \| 14 12 m 5H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(Cl)c1ccc2ncnc(N3CCCCC3)c2c1	ir: 1 2 9 2 1 3 5 9 1 1 1 2 2 1 5 2 10 4 6 4 28 12 3 1 1 2 3 12 2 3 4 1 1 1 1 1 1 2 2 1 1 19 1 1 1 2 2 0 12 7 3 3 1 2 2 3 6 5 3 1 2 3 1 1 18 0 1 1 3 2 1 1 1 2 1 0 2 1 3 2 2 5 5 2 100 1 6 3 6 6 3 3 3 10 13 6 5 5 14 5 3 2 2 1 1 1 1 1 2 1 7 6 5 4 1 2 2 2 1 1 2 2 1 9 14 6 1 1 1 1 1 1 1 1 2 2 6 4 3 1 36 4 2 2 1 1 2 3 10 8 7 2 1 1 2 2 9 9 2 3 2 0 1 2 2 1 26 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 1 1 2 1 2 6 3 5 12 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 85 d 1H J 21 \| 84 84 s 1H \| 83 82 d 1H J 86 \| 82 81 dd 1H J 22 86 \| 35 35 m 4H \| 17 17 m 4H \| 16 15 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(/N=C2\N(C(N)=O)C[C@@H]3[C@H](O)CCN23)ccc(C#N)c1Cl	ir: 5 3 9 7 10 10 7 6 2 6 7 9 35 24 7 8 5 3 9 5 5 5 3 5 4 6 7 10 5 5 6 3 5 5 16 38 49 19 6 11 7 4 6 4 3 4 3 4 3 2 2 2 3 18 17 8 9 13 4 6 2 3 2 2 4 6 3 2 4 4 3 2 2 3 3 2 7 15 4 3 2 3 5 7 14 82 100 8 8 6 2 3 4 4 7 4 3 3 1 3 6 8 5 2 3 4 7 10 4 3 3 4 6 6 11 21 9 4 0 3 4 2 2 5 5 3 2 2 3 2 2 3 3 3 13 17 4 2 2 9 14 2 2 4 3 3 8 3 41 43 5 23 62 9 4 4 6 45 43 61 11 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 0 15 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 3 1 2 2 2 1 1 2 2 1 1 3 2 1 2 3 3 3 2 3 3 4 4 5 4 10 14 3 5 7 10 7 5 2 4 4 2 27 15 1 2 3 2 2 2 2 9 8 2 2 2 2 2 2 2 2 3 5 4 93 98 6 6 3 1 1 3 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2; 1HNMR: 75 75 d 1H J 88 \| 73 72 d 1H J 88 \| 65 64 s 2H \| 41 41 dddd 1H J 17 30 49 79 \| 41 40 d 1H J 102 \| 39 38 m 2H \| 38 37 m 2H \| 32 31 d 1H J 53 \| 24 24 s 2H \| 22 21 ddddd 1H J 18 28 59 77 126 \| 19 18 dddd 1H J 47 59 77 127	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCN1CCOCC1	ir: 3 2 5 2 2 8 5 5 4 11 39 11 6 2 2 1 1 1 2 1 0 2 2 3 3 2 2 1 3 57 29 3 1 2 2 2 1 2 2 0 3 13 15 8 4 6 4 1 5 10 38 5 5 5 2 7 13 8 3 1 2 3 3 6 15 9 5 7 6 12 30 6 24 10 17 28 4 3 2 4 3 28 100 30 23 16 10 4 2 2 3 6 5 8 5 5 12 10 24 15 26 29 27 15 7 3 3 4 7 4 4 8 17 12 20 18 6 20 9 9 23 19 13 7 7 5 1 5 9 8 5 3 3 2 5 11 20 12 8 5 3 4 7 20 73 34 14 6 2 2 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 1 2 6 4 1 6 8 8 6 6 7 3 2 4 9 5 17 40 14 6 2 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 42 41 q 2H J 65 \| 37 36 m 4H \| 28 28 t 2H J 67 \| 25 25 t 2H J 67 \| 25 24 m 4H \| 13 12 t 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccc(F)cc2)c1	ir: 10 21 20 15 5 5 4 6 3 6 2 1 1 1 3 2 5 1 5 1 1 2 1 2 3 2 4 4 2 2 2 1 2 2 2 4 9 11 8 30 25 6 4 4 3 2 9 6 18 5 2 2 1 2 7 32 12 4 3 2 2 2 4 1 2 2 5 2 6 4 1 2 1 1 1 2 3 2 1 2 4 42 21 9 8 5 5 3 2 4 2 1 1 1 1 1 1 3 5 2 2 4 2 2 2 5 13 5 2 2 2 4 5 3 2 3 3 3 4 6 9 3 3 10 5 8 4 6 4 6 14 4 6 3 1 1 1 1 1 2 4 6 9 1 1 3 1 1 4 69 14 15 11 22 24 6 5 2 62 2 3 2 5 19 2 2 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 1 1 1 1 1 1 0 1 0 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 2 2 1 2 3 4 5 4 21 41 100 26 10 5 3 2 2 2 3 2 1 1 1 1 0 1 2 1 16 11 1 2 1 0 0 1 1 1 2 8 47 73 9 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 m 2H \| 74 73 m 6H \| 73 72 t 1H J 21 \| 71 70 m 2H \| 69 68 dt 1H J 20 68 \| 43 43 s 2H \| 38 38 t 2H J 63 \| 32 31 p 1H J 59 \| 30 29 t 2H J 63 \| 29 28 ddd 2H J 55 82 123 \| 27 26 ddd 2H J 56 82 121 \| 22 21 ddt 2H J 56 82 125 \| 19 18 ddt 2H J 56 82 125	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(O)c1ccc(-c2ccc(C(F)(F)F)cc2)c(C#N)c1	ir: 9 6 5 5 5 5 5 4 5 4 5 5 6 6 7 7 9 15 16 8 7 9 5 4 6 10 5 5 4 4 5 6 4 5 6 5 5 7 5 5 7 8 16 8 6 4 5 5 4 5 8 3 7 90 27 24 29 11 7 6 5 5 8 6 24 5 5 6 8 11 16 8 7 6 5 5 4 4 6 5 4 4 6 8 17 19 100 32 23 79 10 7 5 5 7 18 8 6 28 16 22 5 4 4 4 5 6 5 3 8 11 14 90 8 0 7 9 7 7 12 8 5 10 7 10 17 16 13 6 4 3 5 5 4 5 4 4 5 4 16 24 4 4 5 5 4 10 12 9 10 5 5 7 28 4 6 5 4 4 5 6 3 4 5 4 3 4 4 4 3 4 5 4 3 4 5 4 3 4 4 4 3 6 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 5 6 5 4 4 5 4 5 5 7 5 5 21 11 40 43 18 7 9 7 6 6 6 34 6 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 80 79 m 2H \| 77 76 m 4H \| 74 73 m 1H \| 46 46 m 1H \| 30 29 d 1H J 51 \| 20 19 dq 1H J 65 139 \| 17 16 dq 1H J 66 139 \| 16 15 dq 1H J 69 126 \| 15 14 dq 1H J 69 127 \| 10 9 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNS(=O)(=O)c1cccc(-c2nc(N3CCOCC3)nc(Cl)c2CCCl)c1	ir: 4 5 2 3 5 4 3 2 3 2 4 2 2 8 7 2 3 2 2 2 3 5 21 3 3 2 5 6 2 3 12 3 8 6 5 5 3 7 5 3 52 8 8 14 5 3 8 28 23 8 16 6 16 25 10 11 7 0 5 4 2 2 5 5 20 11 13 8 4 0 2 6 3 9 3 4 3 17 13 5 1 5 6 5 4 4 57 4 5 17 2 2 4 2 2 2 2 1 5 7 3 4 7 6 22 41 34 39 26 6 7 10 7 5 3 5 3 3 5 5 10 8 9 3 3 13 11 3 4 10 8 3 6 4 3 3 2 7 12 13 3 4 3 3 8 6 5 4 100 45 5 3 2 1 2 1 1 1 2 1 9 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 1 3 4 14 5 12 20 11 2 2 2 1 1 2 1 1 1 2 2 1 1 2 3 6 3 3 3 32 10 11 4 4 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 82 t 1H J 21 \| 79 79 ddd 1H J 13 22 84 \| 78 77 ddd 1H J 13 21 84 \| 77 76 t 1H J 84 \| 56 55 q 1H J 67 \| 40 40 t 2H J 44 \| 39 38 td 4H J 7 55 \| 38 37 m 4H \| 37 36 t 2H J 43 \| 27 27 d 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(COC)n[nH]1	ir: 3 1 3 2 1 2 3 1 2 1 5 5 2 1 2 7 8 2 1 2 3 5 30 36 11 1 1 2 2 0 3 2 2 0 1 4 2 1 1 2 1 0 1 2 1 0 3 4 1 1 2 8 22 20 13 4 4 7 7 4 1 1 9 8 2 2 18 5 2 6 6 3 7 12 20 15 9 5 12 8 1 1 1 1 4 7 2 2 1 1 1 1 3 68 9 3 1 1 2 1 0 1 1 1 1 1 1 3 9 2 2 3 4 16 12 6 11 30 4 14 12 16 5 6 7 24 9 4 15 7 1 1 1 1 2 1 1 1 2 2 7 5 2 1 4 37 100 2 2 5 5 1 1 1 1 0 1 1 1 1 13 17 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 2 1 2 3 4 1 2 2 2 2 2 7 10 3 3 3 15 10 18 3 2 1 1 2 1 1 2 3 1 2 3 2 1 0 2 2 1 0 2 2 51 62 36 39 14 4 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 68 68 d 1H J 9 \| 46 46 d 2H J 9 \| 44 44 q 2H J 64 \| 34 34 s 3H \| 14 13 t 4H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ncccc1-n1nccc12	ir: 2 2 7 11 11 14 7 7 21 15 24 12 5 3 2 5 2 1 1 1 1 0 2 1 2 0 0 1 1 1 1 1 15 1 1 3 11 59 7 1 9 3 3 1 1 1 1 0 3 0 1 1 4 7 3 0 2 1 2 1 1 2 21 3 2 1 1 0 0 0 0 1 0 0 1 2 1 0 1 1 0 0 41 5 3 11 16 1 1 1 6 3 1 1 1 2 3 3 3 3 4 3 2 4 3 1 0 1 1 1 1 2 7 10 18 7 12 9 9 13 4 14 14 9 4 3 5 11 6 3 37 24 4 3 3 9 9 8 20 6 6 2 1 2 1 0 1 8 8 5 10 100 3 6 14 5 5 1 1 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 2 3 2 3 3 3 3 2 3 3 2 4 13 21 12 5 9 24 7 6 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 81 m 2H \| 75 74 d 1H J 33 \| 74 73 dd 1H J 38 72 \| 65 65 d 1H J 35 \| 39 38 ddd 2H J 35 62 126 \| 37 36 ddd 2H J 37 62 126 \| 28 28 ddd 2H J 35 62 130 \| 25 24 ddd 2H J 35 62 130 \| 15 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(-c2nc(C3=CCC(COCc4ccccc4)CC3)cnc2N)cc1F	ir: 3 2 5 3 2 2 2 2 5 2 2 1 3 7 3 3 3 3 2 5 8 17 15 7 4 2 3 2 3 2 3 5 1 2 1 1 2 1 1 4 5 2 1 1 2 3 2 1 1 1 1 1 1 1 2 3 2 2 2 1 1 1 1 4 1 2 1 1 5 3 2 1 2 2 2 1 1 1 1 1 1 2 3 1 0 0 1 1 0 1 1 1 1 2 2 7 2 4 1 1 1 0 2 3 2 1 1 1 6 3 2 4 2 1 1 2 5 9 2 4 12 2 1 4 7 5 1 2 3 2 1 1 1 1 3 7 3 1 2 1 1 2 3 3 5 4 13 2 1 7 9 11 7 12 4 11 2 1 1 1 3 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 0 0 1 1 2 2 4 2 7 11 6 3 2 1 1 1 1 0 1 1 0 0 0 1 0 0 2 3 29 3 1 0 1 1 0 0 1 1 1 4 100 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 81 s 1H \| 81 80 dd 1H J 51 97 \| 78 78 dd 1H J 22 97 \| 78 77 dd 1H J 21 120 \| 74 73 m 5H \| 67 67 s 2H \| 64 63 tdt 1H J 9 18 60 \| 45 44 m 2H \| 39 38 s 2H \| 36 35 dd 1H J 56 111 \| 33 33 dd 1H J 56 111 \| 30 29 m 1H \| 29 27 m 1H \| 23 22 dddt 1H J 10 61 71 152 \| 21 19 m 2H \| 19 18 dtt 1H J 16 71 126 \| 18 17 dddd 1H J 64 73 90 124	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C[C@H](OC(c1ccc(Br)cc1)C(C)C)C(=O)NCC#N	ir: 3 3 2 1 2 1 0 2 1 1 0 1 2 2 5 9 1 2 3 3 4 6 3 5 17 20 27 4 2 11 12 18 11 6 11 6 16 12 24 2 2 1 2 2 3 4 2 3 2 0 3 2 5 14 39 17 56 10 3 4 5 4 5 7 2 1 2 3 9 10 6 2 1 2 2 5 4 9 7 2 1 2 3 1 3 2 1 1 1 0 2 2 20 7 4 2 3 2 2 1 0 1 1 1 0 1 2 3 4 9 5 6 1 6 8 5 1 7 12 11 13 16 16 7 8 4 8 9 2 2 6 5 2 1 8 3 0 1 2 1 3 4 3 12 13 74 100 31 9 2 3 2 8 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 2 2 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 1 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 6 2 2 2 2 4 6 4 4 3 6 4 7 12 25 24 32 44 9 8 3 2 4 1 1 1 1 1 1 1 1 1 1 1 3 4 1 4 12 13 17 26 15 27 7 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 m 3H \| 73 72 m 2H \| 43 42 dddt 1H J 9 14 23 65 \| 43 42 t 1H J 64 \| 41 40 m 2H \| 21 20 m 1H \| 19 17 m 2H \| 17 16 ddd 1H J 64 85 141 \| 10 9 dd 3H J 15 70 \| 10 9 m 6H \| 9 8 d 3H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(-c2cccc(OC(F)(F)F)c2)nc(Br)c1C=O	ir: 7 8 17 12 3 5 7 2 3 3 5 3 3 3 3 4 1 4 4 4 7 3 6 6 7 7 4 3 9 12 6 1 1 7 20 4 5 6 7 3 2 3 3 2 2 4 3 10 100 14 13 4 5 4 2 0 2 4 3 4 10 4 2 1 3 6 12 5 32 21 3 5 4 3 3 4 3 5 5 3 3 3 7 2 3 3 14 11 3 3 1 1 3 5 17 4 6 7 52 27 27 15 5 10 6 21 13 10 6 10 7 4 6 3 6 5 9 4 1 4 4 3 3 6 5 5 6 29 21 10 4 8 33 3 1 3 16 15 6 3 4 2 14 3 3 1 2 2 2 1 1 3 12 7 3 5 18 7 1 3 2 1 1 3 2 5 5 3 2 0 1 5 5 0 1 3 1 0 2 2 1 0 1 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 4 9 2 2 4 3 3 3 5 4 4 6 5 4 13 8 7 74 61 77 15 6 8 3 9 5 3 2 2 1 2 2 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 100 99 s 1H \| 77 77 ddd 1H J 11 21 79 \| 75 74 t 1H J 22 \| 73 73 dd 1H J 71 80 \| 72 72 ddd 1H J 12 21 70 \| 39 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C[C@H](N)C(=O)O)s1	ir: 2 1 1 2 3 2 1 5 4 3 3 3 5 6 7 8 9 5 10 7 21 18 30 15 8 7 6 3 2 3 3 2 2 2 2 2 2 1 2 3 3 3 5 4 2 1 2 3 2 1 2 2 3 2 5 5 16 25 20 28 29 29 11 7 3 4 4 8 13 5 3 5 3 5 6 7 44 41 83 29 11 21 22 10 4 4 3 3 4 3 4 2 2 14 4 4 5 6 2 2 1 1 2 1 1 1 1 2 2 2 7 3 4 3 3 2 4 5 5 6 4 7 4 10 5 3 2 5 4 3 9 10 35 23 51 10 6 5 4 4 1 4 4 6 6 7 2 2 6 4 2 1 2 3 2 1 1 2 1 0 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 2 3 3 4 3 3 3 3 3 8 10 20 11 2 0 3 6 35 38 9 3 8 13 16 12 11 6 2 0 12 100 82 26 3 1 5 3 1 1 2 2 0 0 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 82 82 s 1H \| 70 70 d 2H J 60 \| 69 68 dt 1H J 9 64 \| 66 66 m 1H \| 39 39 tt 1H J 53 60 \| 33 33 ddd 1H J 7 52 148 \| 31 30 ddd 1H J 9 53 148 \| 24 24 d 3H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C)ccc1C=O	ir: 2 10 16 10 10 18 21 13 10 17 20 10 3 11 17 10 7 17 17 7 4 12 13 6 5 13 17 7 7 14 13 4 17 25 13 5 9 15 12 4 7 15 11 4 10 20 14 14 9 15 14 17 38 60 40 8 16 24 12 0 11 28 16 18 23 28 20 14 27 20 9 5 16 32 30 14 12 16 10 10 13 14 9 7 14 13 12 7 16 14 6 7 13 12 5 11 34 19 32 24 16 12 8 17 21 16 5 16 31 14 11 9 16 10 4 10 16 12 5 21 23 13 13 16 22 10 15 17 20 10 8 13 14 8 7 12 16 16 14 17 15 7 6 12 13 5 6 13 16 13 11 17 24 8 22 18 58 16 22 15 12 6 17 16 14 5 9 15 10 4 9 14 9 4 10 14 9 4 10 14 8 4 10 14 8 5 10 13 7 5 11 13 7 6 11 12 7 6 12 12 6 6 12 11 6 7 12 11 5 7 13 11 5 7 13 10 5 8 13 10 4 8 14 9 4 9 14 9 4 9 14 9 4 9 14 8 5 10 13 8 5 10 13 8 5 10 12 7 6 11 12 7 6 11 12 7 6 12 11 6 7 12 11 6 7 12 11 6 8 16 15 8 9 15 12 7 13 21 14 6 10 15 12 10 14 36 40 100 93 25 13 14 12 15 9 7 11 12 9 7 10 12 8 6 11 12 7 6 11 11 7 7 11 11 7 7 11 11 6 7 12 10 6 7 12 10 6 8 12 10 5 8 12 10 5 8 13 9 5 9 13 9 5 9 13 9 5 9 13 8 5 10 12 8 6 10 12 8 6 10 12 8 6 10 11 7 7 11 11 7 7 11 11 7 7 11 10 6 7 11 10 6 8 12 10 6 8 12 10 6 8 12 9 5 9 12 9 5 9 13; 1HNMR: 78 78 d 1H J 84 \| 70 69 m 1H \| 68 68 m 1H \| 39 39 s 3H \| 23 23 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(CCCS(=O)(=O)C1CCCCC1)c1ccccc1Br	ir: 0 2 7 4 9 30 27 4 4 7 3 25 20 3 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 1 11 1 4 11 11 13 5 22 69 13 4 3 9 1 1 1 2 8 4 2 1 2 1 3 2 2 3 3 1 1 17 6 4 13 20 65 7 0 3 4 4 1 2 2 2 2 2 4 1 6 46 62 100 4 40 0 4 3 1 2 3 2 2 3 9 5 33 22 81 53 19 3 7 7 9 5 8 11 11 11 5 5 4 2 3 5 11 14 7 3 3 4 1 2 1 1 1 3 3 8 4 4 89 40 1 2 1 0 1 2 1 0 1 3 21 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 2 3 9 7 7 6 9 3 3 10 9 7 18 20 27 11 46 28 3 3 1 1 3 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 79 78 dd 1H J 14 82 \| 77 77 dd 1H J 13 79 \| 76 75 ddd 1H J 13 71 82 \| 74 74 ddd 1H J 13 71 79 \| 33 32 dt 4H J 113 318 \| 30 29 p 1H J 76 \| 22 21 p 2H J 112 \| 21 20 dddd 2H J 64 76 89 139 \| 18 16 m 4H \| 16 15 m 2H \| 15 14 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc2n1	ir: 1 1 2 4 8 3 4 4 2 1 2 8 3 1 1 2 1 1 1 0 0 1 3 1 5 1 1 1 1 1 0 1 2 2 1 0 1 1 1 0 1 0 1 16 17 3 1 1 4 1 0 0 0 3 1 1 1 1 0 1 1 1 2 3 3 5 4 3 3 2 15 21 3 0 2 2 1 0 0 0 0 1 2 6 6 4 1 1 1 3 1 1 1 2 1 1 9 6 1 1 1 1 1 2 1 0 1 1 1 0 0 1 2 3 1 1 2 5 8 7 4 3 1 3 1 1 1 6 3 3 6 2 3 10 4 4 3 2 1 1 0 1 21 2 1 0 0 1 1 22 5 100 4 0 1 1 1 0 0 1 6 12 0 1 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 1 1 2 1 0 1 1 1 2 4 8 3 5 12 11 3 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 m 1H \| 80 79 dd 1H J 14 74 \| 76 76 td 1H J 13 72 \| 75 74 ddd 1H J 13 70 90 \| 70 70 d 1H J 8 \| 36 36 m 5H \| 34 34 m 4H \| 24 24 s 3H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCc1c(Cl)cc(CO)nc1N1CCCCC1	ir: 1 2 6 5 15 5 3 6 3 1 1 2 2 1 2 2 2 2 1 2 5 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 1 2 3 2 1 2 3 2 1 1 1 1 1 1 1 0 0 1 1 4 5 1 1 1 1 1 1 0 1 5 6 5 2 1 0 0 0 0 0 1 1 1 0 0 0 0 1 1 1 2 4 5 14 17 5 4 4 3 5 1 2 2 2 1 1 1 1 1 1 2 3 2 1 1 4 3 2 3 1 0 1 1 2 3 1 1 0 0 1 1 2 2 1 1 0 1 1 1 2 0 1 1 3 2 1 1 0 1 1 1 9 2 2 23 6 0 0 0 0 0 1 14 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 1 1 1 1 0 1 2 5 1 4 10 5 1 1 1 4 8 15 100 11 7 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 70 t 1H J 8 \| 48 47 dd 2H J 9 57 \| 37 37 t 1H J 56 \| 36 35 m 4H \| 30 30 t 2H J 97 \| 18 17 m 6H \| 16 15 m 2H \| 15 13 m 2H \| 10 10 t 3H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1Cn2c(cc(OCc3ccc(Oc4ccc(C(F)(F)F)nc4)c(F)c3)nc2=O)N1	ir: 3 9 7 16 13 16 10 7 4 5 4 5 3 5 5 11 8 8 4 6 7 4 5 4 3 4 6 7 5 7 6 2 3 3 3 6 3 7 4 4 4 16 34 52 12 5 4 12 6 2 3 6 9 26 59 10 8 3 4 12 6 4 4 2 3 2 8 37 10 6 10 27 19 15 7 3 5 7 3 3 3 3 3 3 7 9 6 11 15 6 4 3 3 4 3 6 7 5 18 9 5 17 19 22 7 4 2 3 3 7 3 6 10 4 9 5 15 31 0 4 10 5 9 7 6 7 10 7 3 5 4 4 9 8 3 4 8 7 8 28 3 3 19 4 3 2 2 4 4 15 6 5 10 23 93 9 4 4 4 6 37 100 7 1 3 3 3 1 2 3 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 4 2 3 2 3 3 4 6 15 11 18 49 39 18 22 6 4 4 2 2 2 4 2 2 2 2 3 2 3 3 2 5 7 9 14 36 27 22 7 3 3 3 3 2 2 2 2 3 3 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 81 81 d 1H J 20 \| 77 76 dq 1H J 21 72 \| 73 73 dd 1H J 19 71 \| 71 71 ddt 1H J 9 17 123 \| 70 70 m 1H \| 69 68 dd 1H J 47 82 \| 62 62 d 1H J 51 \| 54 53 t 2H J 9 \| 51 51 s 1H \| 41 40 dd 1H J 7 106 \| 40 39 dd 1H J 26 104 \| 37 36 m 1H \| 12 11 d 3H J 58	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cc(F)c(OCCCBr)c(F)c1	ir: 4 2 2 3 4 4 2 5 5 2 0 3 4 2 1 3 4 1 1 2 3 1 2 2 3 2 2 4 4 2 4 6 8 9 13 17 25 42 11 11 8 12 14 9 3 0 2 5 4 2 4 5 3 0 3 4 3 1 5 6 2 0 3 7 10 8 66 100 58 43 25 21 3 1 3 4 1 1 2 3 1 1 3 3 1 1 3 3 3 4 8 18 5 5 7 6 4 1 12 16 10 5 6 12 16 12 12 7 0 6 7 8 9 40 10 11 3 7 11 10 4 7 5 16 5 9 12 5 1 3 3 2 1 3 3 2 11 97 19 2 1 3 3 1 1 4 3 2 1 3 2 1 1 4 13 7 17 16 53 5 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 1 3 5 3 3 3 4 6 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 1 2 3 2 0 2 3 1 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 2 2 1 2 3 2 1 2 3 3 1 2 3 3 2 2 5 7 4 7 11 6 4 5 5 6 4 10 14 34 60 33 66 45 13 21 10 17 5 4 3 3 4 4 4 2 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1; 1HNMR: 75 74 m 2H \| 42 42 t 2H J 54 \| 36 36 t 2H J 50 \| 25 24 p 2H J 52	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)COC(c2ccc3c(c2)COC3=O)=N1	ir: 10 5 0 13 7 4 1 6 18 15 6 6 8 4 1 8 9 3 3 6 7 3 3 8 6 2 2 9 20 4 4 7 6 1 2 6 6 2 3 8 7 5 12 51 7 2 4 9 5 1 4 7 4 1 4 10 16 1 4 8 4 3 7 8 4 4 22 7 5 9 15 7 3 1 5 7 5 2 5 6 3 2 5 6 5 2 6 6 2 3 7 13 12 5 7 6 1 3 7 9 5 4 7 5 2 3 7 5 1 4 7 5 1 5 11 13 10 19 12 7 3 6 8 5 3 5 7 7 3 45 57 6 3 5 6 4 9 13 6 3 5 15 10 3 3 6 6 2 3 6 38 11 15 7 6 2 3 7 5 1 3 7 5 4 3 7 4 1 4 7 4 1 4 7 4 1 4 7 4 1 4 7 3 1 5 6 3 2 5 6 3 2 5 6 3 2 5 6 2 2 5 5 2 3 6 5 2 3 6 5 2 3 6 5 2 3 6 4 1 3 6 4 1 4 7 4 1 4 7 4 1 4 7 4 1 4 6 3 2 4 6 3 2 5 6 3 2 5 6 3 2 5 6 3 2 5 5 3 3 5 5 2 3 6 5 2 3 6 5 2 4 7 5 2 4 7 4 2 4 7 6 2 6 12 17 8 44 100 50 2 6 11 4 2 5 6 3 2 5 6 3 2 5 6 3 2 5 5 3 2 5 5 3 3 5 5 3 3 5 5 2 3 5 5 2 3 6 5 2 3 6 4 2 3 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 3 2 4 6 3 2 4 6 3 2 5 5 3 2 5 5 3 3 5 5 3 3 5 5 3 3 5 5 2 3 5 5 2 3 5 4 2 3 6 4 2 4 6 4 2 4 6 4 2; 1HNMR: 80 79 d 1H J 80 \| 77 77 m 2H \| 51 51 d 2H J 9 \| 41 41 s 2H \| 13 13 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC1CO1	ir: 7 6 1 13 6 6 1 2 2 4 7 7 2 3 4 18 7 6 1 7 11 9 20 16 33 35 27 32 23 9 2 5 21 14 8 41 14 10 6 9 16 5 2 3 3 3 10 28 39 73 49 6 5 9 12 6 5 2 3 3 1 4 10 3 2 5 5 25 69 47 6 3 8 5 13 10 7 4 9 10 4 3 19 15 2 2 18 3 2 1 2 2 5 8 2 3 3 11 45 12 3 2 2 5 43 24 1 2 10 20 4 1 1 1 1 1 2 5 10 5 3 2 2 5 8 7 5 2 0 1 1 0 1 1 1 1 1 3 3 4 43 19 5 19 15 56 42 34 3 3 1 11 45 10 12 11 52 58 7 1 2 34 20 2 9 5 10 37 8 0 1 1 1 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 2 2 1 1 1 1 1 1 2 3 1 2 1 4 5 2 4 5 22 6 11 69 63 6 12 3 2 1 2 2 1 0 1 1 1 1 1 3 1 1 2 6 5 5 9 6 39 100 47 38 8 2 0 0 1 1 0 0 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0; 1HNMR: 100 99 s 1H \| 87 86 s 1H \| 82 82 m 1H \| 80 80 s 1H \| 78 77 ddd 1H J 22 33 53 \| 73 73 m 2H \| 72 71 s 1H \| 43 43 dd 1H J 32 114 \| 41 40 dd 1H J 33 115 \| 39 39 s 3H \| 34 34 p 1H J 30 \| 29 29 dd 1H J 29 77 \| 28 27 dd 1H J 28 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)c1cc(C#Cc2ccc(CC(=O)O)cc2)cc2c1OC(C)(C)CC2(C)C	ir: 7 7 7 5 4 4 3 3 10 15 8 12 18 12 15 7 9 12 16 61 74 96 100 17 33 14 6 3 1 3 3 2 2 2 3 1 1 2 4 11 10 10 6 7 4 9 5 5 5 3 10 3 3 3 5 6 11 23 18 12 6 3 5 2 4 4 3 3 5 15 3 2 3 3 3 5 18 10 40 21 13 17 3 6 6 7 3 17 6 10 4 5 9 2 3 3 4 7 4 4 7 9 6 6 3 2 1 2 2 2 3 10 7 5 5 11 18 8 13 13 10 4 7 7 3 13 11 9 13 11 10 9 8 4 2 2 3 1 3 6 4 9 20 65 8 27 14 31 24 26 7 4 12 6 2 2 2 2 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 6 5 4 1 2 4 4 2 2 4 4 2 8 18 29 24 33 41 31 3 6 5 3 3 8 11 40 75 59 4 5 5 1 0 2 2 0 0 1 2 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 d 1H J 22 \| 76 75 d 1H J 22 \| 74 74 m 2H \| 73 72 dp 2H J 9 75 \| 36 35 d 2H J 9 \| 22 21 s 2H \| 16 16 s 8H \| 14 13 d 13H J 33	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCOCC2)nc1)c1ccccc1	ir: 1 2 9 4 5 3 4 2 3 2 3 4 2 6 7 2 2 1 1 1 1 1 1 1 2 2 2 4 13 5 13 6 4 13 13 6 11 5 4 6 15 13 7 4 5 1 4 3 8 3 3 12 11 17 26 11 3 8 9 2 3 5 4 7 3 12 2 6 9 4 9 7 2 5 4 4 8 7 12 14 36 46 3 1 6 3 0 4 4 4 4 4 2 2 4 4 2 3 15 5 8 6 1 1 1 1 7 2 4 3 9 2 3 7 6 2 3 1 3 5 5 3 2 5 4 3 14 2 1 1 2 1 2 1 3 37 5 55 17 2 3 2 11 5 10 27 7 2 6 39 17 5 17 6 1 1 1 1 1 1 2 31 2 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 2 1 1 1 1 2 1 2 2 2 2 2 1 2 2 3 3 22 6 22 48 26 12 5 7 3 3 4 100 18 3 1 1 2 0 1 0 1 0 1 0 1 0 0 0 0 1 0 0 0 1 0 0 0 1 1 1 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 d 1H J 19 \| 76 76 dd 1H J 18 84 \| 75 74 m 2H \| 74 73 m 2H \| 74 73 m 3H \| 69 69 m 4H \| 43 42 t 2H J 68 \| 37 37 t 4H J 47 \| 30 29 t 2H J 68 \| 26 25 td 4H J 23 44 \| 24 23 q 2H J 73 \| 11 10 t 3H J 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1cccc(NCc2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)c1	ir: 3 9 7 12 2 2 2 12 5 9 9 5 11 5 4 13 6 14 7 3 2 4 1 4 1 2 1 6 15 5 4 17 14 21 14 3 3 2 6 4 2 1 45 12 3 1 14 100 8 3 3 3 3 2 3 66 4 3 1 0 2 3 1 0 2 4 10 11 6 6 4 1 4 2 2 2 2 1 2 0 4 3 3 2 1 1 0 2 1 1 1 10 6 2 1 0 1 1 2 2 2 7 2 6 2 2 1 3 2 2 0 2 3 1 0 1 1 1 0 1 4 3 5 4 4 3 4 2 3 2 0 2 5 15 5 4 31 7 3 2 7 20 9 3 6 13 5 13 5 13 4 1 3 39 2 1 4 15 7 3 2 2 6 16 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 2 1 3 2 0 4 8 6 42 24 4 7 3 1 1 1 1 1 2 1 1 1 1 0 0 2 3 0 1 4 4 25 9 26 18 8 4 1 0 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 91 s 1H \| 80 79 dd 1H J 27 121 \| 76 76 dd 1H J 14 74 \| 75 75 dd 1H J 46 86 \| 74 73 m 3H \| 73 72 m 2H \| 72 71 ddd 1H J 14 76 87 \| 70 69 t 1H J 22 \| 66 65 ddd 1H J 11 21 77 \| 58 58 t 1H J 45 \| 47 47 d 2H J 44 \| 22 21 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(CC#N)OC	ir: 13 16 14 66 58 100 37 33 15 15 9 9 5 4 4 3 2 4 3 3 1 2 3 1 2 3 4 2 1 3 3 1 1 3 3 1 2 4 3 1 1 5 3 1 4 4 5 5 9 11 8 7 32 45 30 21 15 19 27 14 27 37 17 10 21 15 29 37 14 27 43 63 33 18 20 37 14 38 21 17 8 72 20 78 10 7 1 2 3 3 2 2 4 4 2 2 5 3 2 2 5 4 2 4 19 5 6 3 3 5 5 4 8 7 6 7 15 27 16 24 63 17 23 26 13 15 13 15 12 19 9 7 5 4 2 3 3 1 1 4 3 2 1 3 2 2 3 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 0 2 4 2 0 2 4 2 0 2 5 2 1 11 58 6 3 2 2 1 1 2 3 2 2 2 3 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 1 3 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 2 2 3 1 1 2 3 2 1 3 2 2 2 3 3 2 3 4 4 2 3 8 9 8 8 7 9 11 10 9 8 8 6 12 15 21 32 18 19 4 5 4 4 2 3 3 2 1 2 2 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 46 46 ddq 1H J 15 42 53 \| 34 34 d 6H J 15 \| 27 27 d 2H J 38	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NC1CCCc2c1[nH]c1ccc(Br)cc21)c1ccc(C(F)(F)F)cc1	ir: 1 1 1 4 3 4 2 1 0 1 1 1 1 3 13 3 2 2 6 16 2 3 3 1 3 1 1 1 2 6 6 21 9 1 4 10 12 4 4 2 7 49 31 4 2 5 4 0 1 1 2 1 2 11 17 1 17 2 3 0 1 1 1 0 2 2 3 2 2 3 2 0 3 1 0 0 1 1 1 1 1 1 0 2 1 2 1 6 3 2 1 1 2 1 0 1 1 14 14 10 7 2 1 1 2 2 5 2 4 7 2 5 96 10 5 2 0 2 8 38 2 3 4 2 3 6 2 1 5 1 0 1 1 0 1 3 2 0 0 3 42 0 78 22 18 12 24 28 8 3 3 4 8 2 5 32 2 2 1 1 1 1 2 3 1 1 1 0 0 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 2 2 2 4 7 9 10 100 7 6 2 1 1 1 2 2 2 2 1 3 3 1 1 2 1 1 1 2 2 7 16 26 44 21 37 6 6 2 1 2 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 87 87 s 1H \| 81 81 d 1H J 68 \| 79 78 m 4H \| 74 73 d 1H J 23 \| 73 72 dd 1H J 26 73 \| 72 72 d 1H J 73 \| 48 47 dt 1H J 38 69 \| 29 27 m 2H \| 23 22 dddd 1H J 39 64 86 125 \| 21 19 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1CN(C(C)O)C(=O)O1	ir: 8 3 2 3 6 3 10 4 3 8 16 24 19 10 5 6 4 5 4 3 4 5 2 3 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 9 3 0 1 2 1 0 1 2 1 1 2 7 4 3 1 9 4 5 4 5 7 10 3 2 7 8 3 4 3 2 2 2 2 2 8 36 100 24 18 90 40 7 5 2 2 1 2 2 1 2 3 5 2 1 2 2 4 2 2 3 2 4 3 6 5 5 16 6 4 2 4 3 6 4 4 6 4 2 2 4 36 66 3 1 1 1 1 0 0 1 1 0 1 1 2 1 2 4 99 74 2 2 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 2 2 1 0 3 2 2 2 3 2 2 1 2 2 4 3 5 18 17 11 2 1 1 1 2 2 2 1 14 75 14 1 2 2 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 55 55 qd 1H J 51 65 \| 48 47 m 2H \| 37 37 dd 1H J 36 116 \| 35 34 dd 1H J 36 116 \| 18 17 dqd 1H J 42 77 132 \| 16 15 m 4H \| 10 9 td 3H J 15 78	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1nc(C)nc(Cl)c1N	ir: 4 6 7 6 3 6 6 10 14 49 79 12 16 5 13 18 28 12 2 39 28 20 14 4 5 6 7 2 3 3 3 3 3 5 4 3 3 3 6 5 20 26 8 7 6 3 4 2 2 2 2 2 2 3 2 1 2 2 2 2 2 2 2 2 4 4 5 15 13 5 2 2 2 3 2 2 1 2 2 2 2 3 2 2 2 2 3 4 5 10 3 1 2 2 2 1 2 2 1 1 2 1 1 1 2 3 1 1 2 1 1 1 2 4 7 3 3 3 3 4 18 14 1 2 4 5 2 4 4 4 2 3 3 2 1 9 13 16 4 2 1 2 4 8 3 4 7 85 31 0 1 6 6 19 26 0 1 2 3 5 5 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 1 1 2 2 2 2 2 3 2 3 4 3 5 2 2 2 2 1 2 3 3 2 2 2 2 2 4 2 2 2 3 5 23 6 3 3 4 37 40 16 2 5 9 93 100 6 2 2 2 2 2 2 1 1 2 2 1 1 1 1 1 2 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 63 62 q 1H J 50 \| 45 45 s 2H \| 30 30 d 3H J 51 \| 27 26 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CCc1ccccc1)OCc1ccccc1	ir: 1 0 1 1 1 0 2 2 3 6 4 2 2 2 0 0 0 3 0 1 4 1 1 2 5 2 1 3 3 3 8 2 6 5 2 1 2 2 9 27 29 5 4 1 5 1 2 0 1 0 1 1 0 1 1 1 1 1 1 2 1 1 1 2 3 0 2 3 4 1 1 1 0 0 0 1 1 2 5 2 0 0 0 1 0 0 0 1 4 13 2 1 1 1 1 1 1 3 6 3 1 1 1 0 0 0 0 0 1 1 0 2 6 5 5 1 3 1 3 3 2 2 3 2 0 1 1 1 1 1 2 2 4 3 7 26 11 3 4 1 2 5 11 100 27 11 2 3 1 1 1 4 4 2 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 2 1 2 1 1 2 3 6 8 9 18 11 45 22 8 4 2 1 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 72 m 11H \| 51 51 s 2H \| 29 29 t 2H J 81 \| 27 26 t 2H J 83	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(O)c2ccc(C)c(F)c2n1	ir: 3 4 2 7 12 8 5 3 5 3 3 4 3 3 4 4 4 4 4 5 3 3 3 3 3 2 3 3 3 4 6 4 3 3 3 3 3 2 4 3 3 2 2 3 3 2 3 3 3 8 21 6 4 5 5 3 4 3 3 3 3 2 3 3 3 4 10 14 5 2 3 3 2 2 3 4 4 3 4 6 31 21 6 4 4 28 10 5 2 4 8 3 2 3 3 3 2 2 3 3 3 14 3 3 2 2 3 3 3 4 3 3 2 4 4 3 2 3 4 2 2 3 3 3 3 5 16 8 5 5 3 3 2 3 3 2 7 24 11 3 3 2 3 2 2 3 3 7 3 3 6 2 2 3 3 2 2 3 3 0 11 100 4 4 3 2 3 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 3 3 2 3 3 3 3 3 3 2 3 3 3 2 3 3 3 3 4 5 5 4 5 23 7 4 3 3 3 3 3 37 32 3 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 79 78 d 1H J 96 \| 72 72 ddq 1H J 10 48 95 \| 71 71 s 1H \| 40 40 s 3H \| 23 23 dd 4H J 10 47	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(=O)n(C(C)C)n1C	ir: 3 2 1 2 2 2 1 3 2 1 1 2 3 2 1 3 3 2 1 2 2 1 1 2 3 1 3 5 5 2 6 7 11 12 11 14 14 10 2 3 2 2 2 5 4 4 2 2 2 1 2 2 1 1 2 2 2 1 2 4 6 10 11 15 14 8 6 5 7 6 5 4 6 3 5 3 4 9 5 6 3 3 2 3 2 1 3 3 2 1 2 2 1 2 2 2 1 1 3 2 3 7 10 2 3 2 3 2 1 2 3 3 3 3 3 2 3 4 10 8 8 8 11 7 10 6 6 4 4 6 6 3 5 5 7 2 2 2 2 1 2 2 2 1 3 4 5 1 1 2 1 1 1 1 1 2 2 1 4 61 100 8 3 0 2 3 1 0 1 3 1 0 1 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 3 3 2 1 2 3 2 2 2 3 2 3 4 9 11 7 4 9 6 30 13 4 3 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 55 54 q 1H J 13 \| 42 41 p 1H J 67 \| 31 31 s 3H \| 22 21 d 3H J 13 \| 13 13 d 6H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(O)cc(Cl)c1C(=O)n1nc(-c2ccc(C(=O)O)cc2F)c2ncccc21	ir: 8 5 4 10 2 5 8 6 1 3 3 5 5 3 4 4 2 14 9 6 3 59 81 16 25 16 4 4 3 6 5 2 5 2 3 8 13 9 7 5 7 5 4 14 1 2 1 1 2 2 3 2 2 2 1 4 24 2 4 1 2 12 24 11 6 7 3 14 23 2 7 7 3 2 2 1 16 41 8 10 9 8 50 14 29 9 6 15 5 4 4 2 1 1 3 5 3 8 2 1 1 1 1 5 4 5 1 5 2 2 14 2 7 33 2 3 9 8 10 3 3 1 1 1 3 3 9 2 1 2 3 1 60 2 4 12 4 2 2 7 5 6 7 100 7 2 2 4 7 1 1 4 14 33 10 16 4 3 1 1 66 1 1 3 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 2 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 2 2 2 2 4 3 6 5 12 77 28 9 6 1 3 6 5 46 16 12 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 88 87 dd 1H J 20 37 \| 82 81 dd 1H J 22 73 \| 80 79 m 3H \| 75 75 dd 1H J 38 74 \| 69 69 d 1H J 22 \| 69 68 s 1H \| 68 67 m 1H \| 25 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(C(=O)NCC(=O)O)c(O)c2sc(-c3ccc(F)cc3)cc12	ir: 0 1 3 3 4 3 1 3 3 4 1 1 1 4 4 2 0 1 2 0 0 8 15 1 1 1 0 0 1 0 0 0 1 1 2 1 2 3 3 1 1 1 1 1 2 3 1 1 1 1 2 1 1 2 3 2 1 1 1 2 2 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 1 16 2 1 0 0 0 1 2 1 1 1 6 2 1 0 0 0 1 1 0 0 3 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 3 4 1 1 1 0 0 0 1 1 1 1 1 1 1 1 0 0 1 2 0 4 4 2 1 2 2 3 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 1 1 2 2 3 4 1 1 1 1 1 2 14 100 26 1 0 1 1 0 0 0 1 0 0 0 1 2 1 2 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 84 t 1H J 70 \| 77 77 m 2H \| 75 74 s 1H \| 72 71 m 2H \| 41 40 d 2H J 70 \| 29 29 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN1CC(=O)N(CCc2ccccc2)C1=S	ir: 4 2 1 2 2 2 0 1 2 2 4 4 1 1 0 1 3 2 1 1 1 0 1 2 2 5 6 8 6 5 26 18 6 7 1 3 4 2 7 9 13 8 3 4 2 2 4 2 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 2 7 3 2 8 5 4 3 2 0 3 4 1 2 4 2 1 1 1 1 1 4 4 7 4 5 2 1 1 1 2 2 1 2 3 2 0 1 2 1 1 1 2 1 0 2 6 6 8 3 2 2 5 9 5 5 15 10 4 3 3 3 5 14 4 3 18 4 7 3 3 12 3 6 3 2 2 2 5 22 7 5 3 2 1 9 100 2 2 4 2 0 1 1 1 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 2 2 2 5 4 2 1 2 2 2 4 9 10 8 7 62 16 4 5 3 2 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 73 73 m 2H \| 73 72 m 1H \| 72 72 ddd 2H J 8 16 76 \| 43 43 m 4H \| 39 38 q 2H J 80 \| 30 29 tt 2H J 8 66 \| 13 13 t 3H J 80	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1C(=O)O	ir: 0 1 1 1 0 1 2 3 2 1 8 3 0 6 3 3 2 4 1 2 6 20 6 2 3 2 2 0 0 1 1 0 1 1 1 0 1 12 1 1 5 1 0 0 0 0 0 0 0 0 0 2 2 1 1 0 0 0 0 0 0 2 1 4 5 1 2 1 1 2 0 0 1 1 3 1 2 3 14 11 4 0 2 2 8 8 2 6 2 0 1 1 1 0 0 0 0 4 2 1 0 1 2 0 0 0 1 0 0 0 0 1 1 1 1 0 2 1 3 2 2 4 6 4 1 1 1 1 1 1 1 2 1 1 4 4 1 1 1 9 1 0 4 8 3 1 0 0 0 1 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 1 2 7 1 2 14 10 3 0 0 1 1 1 1 20 100 25 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 95 s 1H \| 83 82 d 1H J 22 \| 80 80 d 1H J 22 \| 79 78 dt 2H J 12 79 \| 76 75 m 4H \| 56 56 s 1H \| 40 39 m 2H \| 31 29 m 2H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Cc1nc2nc3ccccc3nc2c(=O)n1Cc1ccccc1	ir: 3 3 3 3 4 3 8 8 11 5 6 4 3 4 4 5 15 7 10 17 7 5 6 10 3 3 3 6 4 6 6 12 5 4 6 18 6 6 4 20 7 8 11 35 76 20 15 14 5 3 3 9 40 0 4 5 3 2 4 4 5 2 5 5 3 2 3 4 5 10 11 4 3 2 4 14 9 4 12 6 3 4 4 4 3 3 3 6 22 33 6 5 2 2 4 4 5 8 9 7 4 7 12 8 7 47 5 7 8 7 4 6 5 5 4 4 6 6 8 6 9 9 19 8 8 5 9 5 4 4 4 4 4 6 22 26 11 6 8 20 19 17 25 15 16 11 15 54 17 10 33 37 8 5 5 7 20 2 100 3 3 5 3 5 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 3 3 5 4 5 4 8 6 7 6 14 8 6 36 71 44 25 13 5 5 4 4 3 3 3 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 80 80 dt 1H J 9 83 \| 79 78 m 2H \| 76 75 ddd 1H J 33 68 82 \| 73 72 m 3H \| 72 72 ddt 2H J 8 17 78 \| 52 52 d 2H J 9 \| 28 28 d 2H J 64 \| 23 22 dp 1H J 67 134 \| 10 9 d 6H J 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Nc2ncc3c(n2)-c2ccc(CCCN)cc2NC(=O)C3)cc1OC	ir: 1 2 6 4 1 3 3 4 5 6 4 5 3 2 3 3 6 18 7 16 15 10 9 4 12 7 5 4 10 2 4 10 8 6 12 8 4 20 4 4 7 4 6 13 3 3 12 5 11 3 8 8 69 18 43 50 22 11 6 5 2 5 5 3 4 6 3 20 24 12 6 10 91 38 4 2 4 5 3 4 5 8 3 2 2 3 1 2 3 3 15 12 11 8 4 4 2 10 5 2 10 7 5 5 6 5 37 9 12 2 3 3 6 6 3 11 5 4 7 8 9 5 15 14 14 4 4 9 6 9 8 17 25 42 28 13 5 3 2 3 3 3 2 7 7 100 10 7 67 15 45 26 9 15 6 8 39 2 24 4 2 0 3 45 74 5 3 3 2 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 2 3 3 2 2 2 2 3 6 8 6 11 59 12 3 5 2 4 3 2 3 3 4 5 9 15 17 49 8 8 8 3 5 7 22 13 11 50 40 19 23 8 3 2 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 99 98 s 1H \| 87 86 s 1H \| 83 82 d 1H J 9 \| 78 77 d 1H J 85 \| 75 75 dd 2H J 9 22 \| 72 72 dd 1H J 21 83 \| 71 70 ddt 1H J 9 20 84 \| 69 68 d 1H J 84 \| 42 41 d 2H J 7 \| 39 39 s 3H \| 39 38 s 3H \| 28 27 tt 2H J 53 63 \| 27 27 tt 2H J 9 76 \| 19 18 tt 2H J 53 75 \| 12 12 t 2H J 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C2CN(O)C3(c4ccccc4)CCCCC23)cc1OC	ir: 5 20 32 57 20 32 1 5 2 3 6 4 1 3 3 8 5 2 1 3 3 2 2 4 2 2 2 2 3 4 6 18 20 7 3 9 5 2 10 7 8 31 9 6 4 2 2 2 3 2 3 1 3 3 27 28 4 0 2 2 2 5 6 12 9 4 13 29 8 15 7 9 5 4 6 5 4 4 5 12 15 11 31 11 8 3 3 2 4 5 19 26 21 7 6 18 32 7 7 5 7 11 3 9 3 4 1 2 2 2 2 2 12 6 5 3 3 4 5 10 3 5 3 4 6 6 6 4 4 5 3 7 3 4 4 26 23 4 2 3 1 2 1 8 31 21 4 3 4 8 35 3 2 16 15 6 2 2 2 1 2 3 2 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 2 3 4 3 2 2 4 5 1 6 10 16 21 43 100 23 36 17 17 7 3 13 40 11 6 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 72 m 5H \| 69 68 m 2H \| 67 67 dd 1H J 9 15 \| 59 58 s 1H \| 39 38 d 6H J 22 \| 35 34 dd 1H J 53 121 \| 32 31 m 2H \| 28 28 dt 1H J 47 62 \| 24 23 ddd 1H J 51 76 129 \| 19 19 ddd 1H J 50 77 130 \| 18 14 m 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2ccc(OCCCO)cc21	ir: 12 11 4 10 10 13 13 10 9 6 1 7 27 53 25 5 7 3 5 5 9 7 4 4 5 7 5 5 9 7 7 5 4 4 4 3 4 6 6 6 3 4 12 17 17 16 11 7 4 4 5 17 8 11 22 62 55 17 12 11 3 4 6 4 6 11 9 16 26 13 8 2 5 4 3 2 2 3 3 3 4 5 4 3 7 12 29 27 29 67 17 30 18 22 27 8 7 6 11 18 2 3 11 4 8 4 2 28 11 11 5 8 5 6 7 4 3 7 4 6 2 4 7 6 16 12 8 6 11 19 6 11 20 6 3 5 8 3 2 2 2 2 6 7 2 2 2 6 54 16 8 13 15 22 19 27 17 5 4 3 3 12 4 0 17 1 2 4 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 3 3 2 3 3 3 4 5 4 6 4 5 4 5 7 6 17 25 37 74 86 8 8 10 6 5 73 32 14 7 6 4 4 4 3 4 5 3 4 3 5 8 12 100 86 24 8 4 5 3 3 3 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 77 77 d 1H J 84 \| 74 74 d 1H J 16 \| 72 71 m 2H \| 71 70 m 4H \| 70 69 ddd 1H J 27 76 103 \| 69 68 dd 1H J 26 88 \| 41 41 t 2H J 63 \| 38 37 q 2H J 61 \| 31 30 m 2H \| 30 29 m 2H \| 28 27 t 1H J 58 \| 21 20 p 2H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCC2CCCCN2)cc1	ir: 5 4 7 2 1 3 2 3 6 6 7 3 7 6 3 4 6 6 6 8 5 3 3 2 3 2 2 2 4 10 7 6 6 2 11 16 17 100 90 30 52 42 76 5 22 13 7 9 3 8 11 8 20 33 22 33 12 17 10 1 5 4 1 0 1 5 6 2 5 11 10 3 4 5 4 2 2 3 2 0 2 6 1 0 3 4 5 10 5 3 2 2 2 4 2 3 3 3 3 7 2 2 1 3 6 9 10 20 11 19 15 6 16 11 5 4 2 8 1 8 6 6 7 4 5 12 9 10 11 7 8 11 8 4 2 4 5 15 34 18 6 14 48 55 11 28 14 26 20 31 21 11 21 8 4 12 32 1 2 1 1 1 1 5 2 0 0 0 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 4 2 2 3 1 2 1 2 3 4 3 8 4 40 47 19 20 5 18 7 4 1 1 2 2 1 2 2 2 1 5 4 16 36 43 37 14 21 28 27 69 35 13 5 5 1 1 2 1 1 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1; 1HNMR: 95 95 s 1H \| 81 80 d 1H J 22 \| 79 78 m 3H \| 73 73 m 2H \| 72 72 d 1H J 26 \| 70 69 m 2H \| 41 40 dd 1H J 37 119 \| 39 38 dd 1H J 37 119 \| 32 31 dddd 1H J 38 49 73 88 \| 29 28 m 2H \| 27 27 ddt 1H J 33 55 132 \| 24 23 d 3H J 11 \| 18 17 m 1H \| 17 16 m 1H \| 16 14 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)C/C=C\c1cc(F)ccc1S(=O)(=O)Nc1cc(F)c2c(c1C(=O)OC)OCC1CC21	ir: 3 2 3 3 4 8 5 4 4 7 9 1 1 2 1 1 3 2 11 1 3 2 1 1 3 4 2 4 1 2 5 2 4 5 9 6 4 5 19 10 5 6 26 8 3 1 7 5 2 20 1 3 4 4 8 16 5 1 4 3 2 3 2 2 26 22 51 17 8 3 2 1 2 8 2 9 3 3 9 2 22 3 9 19 8 17 7 15 6 1 1 1 4 6 2 2 4 19 3 8 4 6 1 15 86 9 10 3 4 1 1 1 0 2 5 6 2 3 1 2 2 4 3 2 3 1 2 5 2 3 35 8 2 4 10 12 3 1 1 2 3 1 16 16 12 5 3 4 8 43 7 3 6 3 8 2 14 2 1 4 66 27 4 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 0 1 1 1 1 1 1 1 4 3 8 8 19 25 28 8 3 2 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 2 29 100 17 2 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 dd 1H J 46 89 \| 74 73 dd 1H J 22 122 \| 73 72 ddd 1H J 22 90 103 \| 71 70 d 1H J 121 \| 70 69 dt 1H J 15 92 \| 59 59 dt 1H J 44 90 \| 42 41 d 2H J 35 \| 39 38 s 2H \| 34 33 m 1H \| 33 33 dd 2H J 15 44 \| 27 26 q 4H J 65 \| 21 20 dtd 1H J 33 66 93 \| 11 11 dd 2H J 55 66 \| 11 10 t 6H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C=O)CN1CCCCCC1=O	ir: 8 8 5 3 3 7 5 11 22 14 5 3 3 3 4 14 16 4 11 10 9 4 2 3 3 2 1 3 3 2 4 6 84 29 16 14 4 4 1 3 4 3 9 9 7 4 7 6 7 28 20 10 9 14 17 2 2 0 3 7 6 7 45 30 38 38 22 10 9 0 3 4 1 2 10 3 1 1 3 3 1 2 3 5 48 1 4 3 1 1 10 10 15 15 16 12 5 6 9 5 1 13 53 10 19 14 25 11 10 19 21 9 8 11 11 36 12 21 20 33 15 17 15 22 4 23 41 25 45 24 21 46 13 8 2 5 4 8 7 8 4 3 3 9 7 2 11 41 100 49 35 35 5 7 5 0 1 4 2 0 1 3 2 0 1 3 2 0 1 3 1 0 1 2 1 0 1 3 1 1 2 2 1 1 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 1 1 3 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 4 3 10 17 7 5 11 15 12 14 4 4 5 4 11 10 10 62 38 12 5 3 1 3 4 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 96 96 dp 1H J 10 20 \| 36 36 d 2H J 10 \| 33 33 t 2H J 56 \| 24 24 t 2H J 79 \| 17 15 m 6H \| 12 11 d 6H J 11	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1nnc(S)n1N	ir: 2 3 2 2 2 4 2 3 4 8 4 3 3 3 7 5 13 11 33 7 12 6 5 6 3 3 5 5 3 9 17 22 12 21 31 14 10 6 4 4 4 3 7 20 4 3 2 2 12 4 3 3 2 2 2 2 2 11 4 3 4 3 3 2 2 4 2 2 2 2 1 2 1 2 3 2 2 2 2 2 2 2 2 2 2 4 3 4 3 12 4 3 2 2 2 2 2 1 1 4 2 2 2 2 2 2 5 5 2 2 1 2 2 2 1 2 3 2 3 3 4 3 4 4 3 3 2 2 2 2 7 3 6 2 1 2 3 4 8 10 14 31 100 3 4 4 1 2 4 4 18 48 6 12 3 2 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 15 15 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 2 2 2 1 1 2 2 2 2 7 4 5 11 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 3 81 14 7 4 2 2 1 1 1 1 3 2 14 44 6 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 65 64 s 2H \| 57 56 s 1H \| 33 32 dt 1H J 71 141 \| 14 14 d 6H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C[N+](=O)[O-])C(=O)O	ir: 2 2 1 2 2 2 2 3 3 3 4 5 10 10 5 3 7 7 7 7 16 29 31 21 6 12 5 8 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 3 2 2 2 1 2 4 2 2 3 2 2 2 2 2 1 2 1 2 2 2 2 1 1 2 2 3 2 2 2 3 5 6 8 18 16 4 4 2 3 3 2 4 3 2 2 2 2 2 3 3 4 5 4 2 1 2 2 2 2 3 6 3 2 2 2 3 3 2 3 3 4 7 11 7 9 8 7 5 4 3 3 2 3 3 3 3 3 2 2 1 2 1 2 3 2 4 14 20 60 5 4 4 2 2 2 1 1 2 2 1 3 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 2 2 3 5 2 2 2 3 4 6 4 11 8 12 3 3 2 1 2 3 1 0 4 16 86 100 6 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 49 49 m 1H \| 47 46 m 1H \| 31 29 ddddd 1H J 15 67 82 94 110 \| 19 18 dp 1H J 72 125 \| 16 15 ddt 1H J 72 125 143 \| 10 10 td 3H J 15 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(-c2cccc(N3CCC(N4CCCCC4)CC3)c2)nc2ccccc21	ir: 14 5 3 5 9 3 4 5 1 3 4 3 0 3 6 6 4 3 3 5 1 2 3 3 8 6 2 1 3 21 13 6 2 4 3 8 3 2 2 3 2 7 14 33 3 2 6 14 20 2 4 9 2 11 2 2 3 1 10 1 3 3 12 1 2 5 3 7 27 2 9 6 5 6 12 7 6 8 4 3 3 3 8 6 27 22 8 21 2 3 4 2 3 3 4 6 8 10 2 4 6 5 4 10 5 3 5 2 4 6 5 4 7 14 10 6 5 2 2 6 4 4 3 5 6 11 10 11 7 6 10 5 14 18 19 6 4 11 44 7 9 8 30 8 4 3 21 5 5 0 42 4 2 5 1 4 4 25 3 2 2 5 1 4 3 1 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 5 4 5 6 4 2 4 3 5 9 24 4 21 100 52 13 7 4 3 3 4 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 78 77 m 1H \| 77 76 ddd 1H J 12 21 79 \| 76 75 m 1H \| 74 73 dd 1H J 53 70 \| 74 73 m 2H \| 70 70 t 1H J 22 \| 68 68 ddd 1H J 11 22 73 \| 41 40 s 2H \| 35 34 ddd 2H J 52 80 124 \| 33 32 ddd 2H J 52 80 123 \| 26 25 m 5H \| 21 20 ddt 2H J 53 80 117 \| 18 17 ddt 2H J 53 81 117 \| 16 15 tdd 4H J 36 49 62 \| 15 14 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(Cc2cnc(NCCSCc3ccc(CN(C)C)o3)[nH]c2=O)ccn1	ir: 3 4 5 3 0 9 3 2 0 4 5 7 5 9 8 4 5 6 4 3 7 6 9 29 17 10 13 6 6 14 9 4 7 15 9 5 5 9 6 4 25 3 8 35 65 25 27 30 11 4 5 6 6 4 6 3 6 4 25 17 12 8 3 3 11 7 8 25 16 9 9 2 2 3 5 1 2 4 4 2 2 3 1 2 4 3 9 11 3 4 20 19 12 10 18 6 2 3 4 4 6 2 2 3 5 3 1 2 5 2 4 16 10 5 3 3 3 2 4 6 2 7 6 13 7 7 3 5 4 2 2 1 3 2 3 3 3 3 3 4 4 2 4 4 6 3 14 39 34 42 22 10 39 21 6 5 2 1 2 12 22 2 79 3 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 2 2 2 2 2 2 2 2 6 7 9 11 15 17 28 9 11 5 3 2 2 2 3 1 1 1 1 1 1 2 2 2 4 5 6 9 100 81 20 25 7 7 4 3 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 83 83 t 1H J 33 \| 80 80 d 1H J 45 \| 77 76 t 1H J 13 \| 70 69 ddt 1H J 9 20 46 \| 66 66 dt 1H J 9 48 \| 65 65 dt 1H J 9 20 \| 64 63 dt 1H J 9 48 \| 44 43 d 2H J 7 \| 39 39 s 3H \| 38 38 d 2H J 7 \| 38 37 q 2H J 10 \| 35 34 q 2H J 37 \| 28 27 t 2H J 37 \| 28 27 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCC1(CO)CCCN(CC2COc3ccccc3O2)C1	ir: 6 6 8 4 7 5 4 4 7 4 4 4 5 4 7 4 4 4 4 4 4 4 4 4 4 5 5 5 4 4 4 4 4 4 3 4 4 3 5 6 6 0 100 6 4 6 5 3 5 7 4 4 6 5 4 7 5 6 4 3 4 5 4 4 4 5 5 5 5 8 32 5 10 6 9 7 5 5 4 6 13 18 13 15 28 9 6 15 36 17 7 8 7 6 6 6 4 6 4 5 5 5 5 6 5 5 4 5 4 4 5 6 5 4 4 4 4 4 4 4 5 4 5 6 6 6 4 5 5 4 4 4 4 4 4 4 6 11 5 10 7 6 10 5 4 3 4 4 4 11 4 4 4 3 4 4 4 3 4 5 4 3 4 4 4 3 4 4 4 3 3 4 3 3 3 4 3 3 4 4 3 3 3 4 3 3 4 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 4 4 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 4 4 4 4 3 4 4 5 4 4 4 4 4 5 5 5 6 12 8 8 12 25 6 7 6 7 6 9 37 9 5 5 5 4 4 4 4 4 4 3 3 4 4 4 4 4 4 4 4 4 4 3 3 4 3 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4; 1HNMR: 69 68 m 4H \| 57 56 ddt 1H J 77 114 168 \| 52 51 dq 1H J 13 167 \| 50 50 dq 1H J 13 114 \| 47 47 p 1H J 40 \| 44 43 dd 1H J 44 117 \| 42 41 dd 1H J 44 117 \| 37 37 dd 1H J 54 109 \| 35 35 dd 1H J 53 110 \| 32 32 dd 1H J 38 120 \| 31 30 dd 1H J 37 121 \| 29 28 m 2H \| 27 25 m 3H \| 21 20 ddt 1H J 14 75 146 \| 19 18 ddt 1H J 14 75 146 \| 17 15 m 3H \| 14 13 ddd 1H J 62 84 131	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(OCC1c2ccccc2-c2ccccc21)N1CC(O)CC1CO	ir: 1 5 2 8 4 4 4 5 1 7 12 4 2 8 7 11 14 12 21 8 13 17 2 15 7 5 4 3 7 3 3 3 3 3 6 2 1 2 4 2 5 9 65 5 3 1 3 2 1 2 2 3 1 1 1 2 2 0 1 1 2 2 2 2 1 1 1 1 4 1 2 2 2 2 2 4 2 1 2 2 3 2 3 7 18 27 40 22 5 5 16 7 2 11 8 6 13 38 17 20 1 3 2 3 1 2 3 3 7 3 7 5 7 4 1 1 1 2 4 1 1 1 6 5 2 3 2 3 3 6 4 1 6 9 4 8 24 3 2 1 12 1 1 1 0 0 1 1 3 2 17 13 2 2 2 0 0 3 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 0 1 0 1 0 1 0 0 0 0 0 0 1 1 1 1 1 1 0 1 1 1 1 1 2 2 1 2 3 3 1 1 3 5 2 2 4 7 6 5 48 14 13 12 100 74 61 33 59 21 3 4 3 1 1 1 2 1 1 1 1 0 1 1 0 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 m 2H \| 77 76 ddd 2H J 7 14 76 \| 76 75 td 2H J 13 78 \| 74 74 td 2H J 14 78 \| 44 44 d 2H J 49 \| 43 42 td 1H J 9 52 \| 42 41 qt 1H J 35 52 \| 40 40 tt 1H J 42 70 \| 38 38 m 2H \| 36 35 m 3H \| 31 31 d 1H J 49 \| 21 21 ddd 1H J 53 68 129 \| 19 18 ddd 1H J 53 69 130	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(Br)CCCCCCCOC1CCCCO1	ir: 38 11 10 6 15 10 13 16 9 8 9 8 7 8 12 8 7 4 3 5 3 2 2 2 3 4 8 6 10 3 4 13 18 5 3 2 4 4 11 5 17 9 4 2 3 5 7 10 7 6 5 7 8 7 9 3 8 2 7 2 2 3 7 16 8 5 6 9 19 15 20 57 25 18 31 30 14 6 4 4 11 24 8 1 2 1 1 1 1 3 2 7 5 3 4 5 6 13 7 3 4 10 30 12 3 10 29 37 36 42 12 42 24 28 20 56 17 24 22 27 13 11 12 11 13 6 2 5 8 22 13 6 3 1 0 2 2 2 1 3 3 4 6 24 26 29 9 3 2 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 3 1 3 5 7 15 17 19 10 6 11 21 19 14 23 100 91 28 5 3 3 4 2 2 1 2 0 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 46 45 t 1H J 34 \| 42 41 m 3H \| 38 37 m 2H \| 36 35 m 1H \| 34 33 dt 1H J 62 114 \| 22 21 dtd 1H J 76 88 147 \| 19 18 dtd 1H J 76 87 146 \| 18 16 m 2H \| 16 12 m 17H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCOCCOc1ccc(C(=C(CCCl)c2ccccc2)c2ccccc2)cc1	ir: 10 2 3 3 1 1 2 1 1 6 2 2 2 7 4 2 1 1 1 2 1 2 2 2 0 1 1 1 0 1 6 6 9 6 13 13 3 4 41 5 21 13 5 7 2 1 1 3 2 2 1 2 4 6 4 26 3 7 10 3 1 1 0 2 4 2 5 4 13 11 7 1 3 3 2 7 5 4 2 2 2 3 1 4 3 13 100 26 3 7 5 3 4 4 3 2 2 2 2 1 1 1 2 2 1 1 8 1 1 1 11 1 2 2 2 2 1 1 2 4 3 2 3 5 6 2 2 1 1 1 1 1 1 1 4 19 1 1 1 1 0 4 13 13 9 4 7 6 3 7 4 8 8 3 1 1 1 1 0 3 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 2 1 2 2 2 1 1 1 2 4 2 16 11 39 99 18 3 11 4 1 3 6 46 31 9 2 2 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 m 2H \| 74 74 s 1H \| 74 73 m 5H \| 74 73 m 3H \| 73 72 m 1H \| 70 69 m 2H \| 41 41 t 2H J 50 \| 38 37 m 4H \| 37 37 m 2H \| 37 36 m 2H \| 32 32 t 2H J 33 \| 31 30 t 1H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1cc(Cl)ccc1OC1CNC1	ir: 1 1 1 3 1 1 0 0 1 0 0 0 0 1 1 1 2 2 1 1 1 1 1 2 10 3 1 0 1 0 0 1 1 1 1 0 0 1 1 2 2 2 1 1 1 0 3 4 12 15 8 3 10 23 58 5 4 3 2 1 1 2 3 14 4 1 10 42 2 3 0 0 1 1 0 0 1 1 1 2 1 2 1 2 6 2 3 10 5 3 2 0 2 1 6 2 2 1 2 3 4 5 6 11 72 100 17 9 4 2 1 1 1 1 1 3 1 1 0 0 1 2 1 0 0 0 0 0 1 0 0 1 1 1 1 0 1 1 1 1 3 4 11 2 0 1 1 1 19 10 2 9 17 1 1 0 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 2 3 2 1 2 2 2 4 3 5 18 53 17 14 7 2 1 1 1 1 0 0 0 0 1 0 1 1 1 3 1 44 12 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 72 dd 1H J 21 121 \| 71 71 dd 1H J 21 84 \| 69 69 dd 1H J 47 83 \| 48 48 p 1H J 22 \| 35 34 ddd 2H J 22 42 117 \| 33 32 ddd 2H J 24 44 119 \| 26 26 p 1H J 43	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc2c(c1)C(OC(C)=O)=C(C)CC2	ir: 4 5 7 7 0 5 14 1 1 1 2 1 2 2 8 2 5 11 4 4 4 4 1 2 9 8 4 2 1 2 2 1 1 1 2 1 1 2 3 1 1 1 1 0 1 1 1 0 1 2 1 0 1 4 16 2 1 1 3 2 1 1 1 2 1 2 2 3 6 6 3 2 2 1 1 1 2 1 1 2 2 6 2 1 1 1 0 1 1 2 3 1 2 2 4 3 1 1 0 1 2 5 2 1 1 1 1 1 3 4 2 1 1 1 3 5 5 13 21 7 5 5 5 4 16 8 11 2 2 1 1 1 1 1 0 1 1 1 1 1 0 1 2 5 26 4 100 4 3 1 2 3 11 0 0 2 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 2 1 1 1 1 1 2 3 2 2 2 2 3 7 11 6 12 34 15 2 2 2 2 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 80 80 d 1H J 21 \| 78 78 dd 1H J 22 86 \| 71 70 dt 1H J 8 86 \| 39 39 s 3H \| 29 28 m 2H \| 28 27 m 2H \| 24 24 s 3H \| 19 19 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(Nc2cccnc2)c(C(=O)Nc2nc(C(F)(F)F)cs2)n1	ir: 3 3 5 3 4 6 1 1 0 1 2 2 4 2 2 3 3 7 5 3 3 3 2 1 1 1 2 1 4 2 2 3 1 2 2 1 2 3 3 1 2 2 1 2 2 1 1 1 2 2 1 1 2 15 7 2 4 3 1 1 1 2 1 1 3 40 5 3 2 1 4 3 1 1 2 15 9 2 1 3 6 4 2 6 3 5 3 9 15 16 4 2 1 1 1 0 4 4 5 7 14 18 4 4 2 3 15 13 2 3 4 8 13 3 3 3 9 17 9 3 6 3 1 2 1 1 2 1 2 2 1 6 4 4 3 7 19 6 2 2 2 2 1 2 2 0 1 2 4 17 24 8 1 1 0 1 1 0 1 4 3 0 1 1 1 1 1 1 10 0 1 1 1 1 1 1 1 5 2 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 2 7 17 6 8 100 23 10 3 3 2 3 1 0 2 2 1 0 2 2 1 0 1 2 2 1 3 4 6 17 18 9 2 2 3 2 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 91 91 s 1H \| 82 82 m 2H \| 78 78 q 1H J 20 \| 76 76 d 1H J 77 \| 74 73 dd 1H J 39 77 \| 73 73 dq 1H J 9 79 \| 72 72 dt 1H J 19 75 \| 26 26 d 3H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CN(c2ccon2)S(=O)(=O)c2ccc3c(Cl)ncnc3c2)cc1	ir: 3 6 4 6 6 6 6 13 13 7 23 36 19 8 9 8 6 8 6 5 10 10 9 5 4 6 5 8 27 42 11 7 8 6 4 5 9 13 6 5 6 34 7 6 8 15 14 14 28 24 13 18 6 6 5 11 30 19 6 5 7 4 6 28 11 4 7 24 30 30 21 2 4 6 6 27 7 6 4 4 5 8 10 59 68 20 13 24 14 11 7 12 7 9 15 9 13 5 10 4 3 5 5 4 4 4 5 4 9 8 7 5 3 4 4 9 17 5 5 6 17 31 8 9 5 6 7 6 4 5 5 4 4 5 6 19 53 14 9 59 7 5 5 7 9 5 6 5 27 8 10 2 17 46 15 94 35 0 3 6 4 2 4 5 3 17 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 3 3 3 3 3 3 4 3 3 4 4 4 7 6 12 16 100 32 11 8 6 6 7 5 5 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 89 88 s 1H \| 87 87 s 1H \| 85 85 d 1H J 21 \| 85 84 d 1H J 103 \| 80 80 dd 1H J 21 102 \| 73 72 dt 2H J 9 85 \| 68 68 m 2H \| 67 67 s 1H \| 50 50 d 2H J 9 \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1C(N)C1CCN(CC2COc3ccccc3O2)CC1	ir: 4 1 3 2 2 7 8 3 1 2 2 2 0 2 2 1 1 4 3 3 1 3 2 1 1 4 3 0 0 2 2 0 1 2 2 1 1 5 4 0 6 18 100 63 4 2 4 4 5 5 1 0 2 2 3 4 4 2 10 29 34 22 11 13 7 5 5 35 20 2 6 8 22 9 15 51 14 9 4 6 18 14 7 4 3 6 4 10 5 3 6 7 8 3 3 4 5 2 3 4 2 3 3 6 5 4 6 4 6 6 5 2 5 3 2 2 4 3 2 4 10 6 12 5 8 4 8 18 21 20 8 9 68 37 22 7 3 47 7 1 3 4 40 6 54 3 1 2 2 35 2 2 2 0 1 3 1 1 2 10 3 0 1 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 2 3 5 3 3 3 4 4 7 21 3 7 86 14 11 5 1 1 1 1 6 2 5 3 5 10 13 57 0 30 15 7 3 5 10 12 7 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 73 72 m 2H \| 71 71 ddd 1H J 12 75 84 \| 70 69 dd 1H J 12 83 \| 69 68 m 4H \| 47 47 p 1H J 44 \| 44 43 dd 1H J 44 117 \| 42 41 dd 1H J 44 117 \| 39 38 m 1H \| 39 38 s 2H \| 32 31 dd 1H J 46 121 \| 30 30 dd 1H J 44 121 \| 30 29 ddd 2H J 52 79 119 \| 29 28 ddd 2H J 53 79 120 \| 21 21 d 2H J 60 \| 21 20 dq 1H J 51 71 \| 19 18 ddt 2H J 51 79 130 \| 17 16 ddt 2H J 52 79 130	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCc1nnc(SCC(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2C(=O)O)cc1	ir: 5 4 3 3 2 2 2 1 2 2 5 6 4 3 5 3 2 8 5 8 13 46 20 16 6 3 2 2 3 4 2 2 5 2 2 9 8 6 5 4 12 44 47 6 7 12 8 3 5 3 3 4 3 3 3 5 6 5 1 1 3 4 2 3 2 1 1 2 1 4 1 1 1 2 2 4 4 8 6 6 5 4 3 2 2 1 3 3 3 2 1 1 2 2 2 3 3 5 2 3 2 1 0 3 6 3 3 3 2 2 4 1 2 15 5 4 3 6 2 6 8 16 11 3 2 2 4 2 3 3 1 2 2 1 2 3 6 3 10 2 6 5 8 64 51 15 5 2 5 4 4 27 16 14 5 2 4 2 1 1 1 1 2 3 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 4 2 2 2 2 1 3 4 12 10 6 14 47 14 4 2 2 1 3 4 10 67 100 4 2 2 1 1 1 1 1 1 1 2 2 3 9 4 12 6 5 3 2 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 95 94 s 1H \| 80 79 ddd 2H J 19 60 79 \| 76 75 m 4H \| 73 73 dp 2H J 9 68 \| 52 52 d 2H J 9 \| 41 41 s 2H \| 37 37 s 2H \| 28 27 t 2H J 79 \| 18 17 tt 2H J 66 79 \| 15 14 h 2H J 70 \| 10 9 t 3H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOCCOCCNC(=O)NCCC(=O)O	ir: 3 2 2 3 2 3 5 5 5 3 3 3 2 4 5 5 3 7 8 8 10 10 15 8 10 7 3 3 1 2 2 3 1 1 2 2 2 3 8 5 8 15 4 8 6 7 4 2 2 3 2 2 4 2 3 1 2 1 2 3 4 1 1 1 2 5 3 2 1 5 7 5 2 1 3 4 3 4 14 4 6 3 6 2 1 1 1 1 2 1 1 1 2 2 2 3 4 1 1 1 1 1 2 3 2 1 1 1 3 2 3 2 3 5 2 3 3 2 2 2 6 8 10 7 4 2 2 2 3 2 5 2 1 1 1 1 2 1 1 2 3 8 22 17 12 12 3 6 12 20 100 7 4 2 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 0 0 1 1 1 1 0 1 1 0 1 1 1 1 0 1 0 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 1 1 1 1 2 2 5 6 4 1 1 1 1 1 1 1 2 2 4 11 11 3 2 1 1 1 1 1 1 1 2 4 10 16 26 20 7 3 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 0 1 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 65 65 t 1H J 50 \| 56 56 t 1H J 49 \| 37 35 m 11H \| 34 33 td 2H J 51 60 \| 34 34 s 3H \| 33 33 q 2H J 46 \| 26 25 t 2H J 59	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(Br)ccc1N1CCNCC1	ir: 2 2 1 1 2 1 1 1 2 2 2 2 1 1 2 2 2 4 3 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 7 4 0 1 4 4 2 9 100 45 14 20 2 3 6 6 5 3 5 11 4 15 13 21 1 4 8 3 1 2 2 1 0 2 2 1 2 3 6 12 6 9 2 3 8 7 8 2 2 4 4 2 3 12 3 1 2 4 3 3 3 4 5 21 48 25 6 2 7 12 15 13 14 7 2 1 2 3 1 1 3 3 4 7 17 3 1 2 2 2 1 1 1 1 1 1 2 1 1 1 19 3 2 4 21 2 4 5 22 3 2 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 3 3 2 2 2 2 1 1 1 3 7 8 11 31 17 11 7 3 2 1 1 2 1 1 1 1 1 2 4 3 3 2 30 26 4 2 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 72 72 dd 1H J 22 90 \| 69 69 d 1H J 22 \| 69 68 d 1H J 89 \| 39 39 s 2H \| 33 32 m 4H \| 31 30 dtd 4H J 12 32 52 \| 19 18 p 1H J 32	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2nccc(CCN3CC[C@@H](CNCc4ccc5c(n4)NC(=O)CS5)C3)c2n1	ir: 3 3 1 2 4 8 7 6 9 3 1 1 7 9 4 5 5 6 3 7 2 1 1 2 8 14 6 6 7 56 28 20 16 7 5 17 33 35 12 17 19 15 12 55 62 27 13 21 33 13 11 23 36 46 39 8 15 31 8 4 8 10 7 3 15 6 4 2 3 1 3 3 4 5 19 2 5 4 6 13 9 2 1 1 2 2 11 10 7 4 1 2 3 2 11 38 8 3 4 8 7 4 13 10 11 12 9 4 7 22 16 9 61 52 47 35 6 7 9 5 17 7 7 5 2 2 5 10 9 5 5 4 35 14 21 32 8 4 7 8 3 5 6 34 18 15 32 10 19 100 9 7 15 57 46 19 20 35 26 8 2 1 2 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 1 1 1 1 0 2 2 2 3 6 4 5 4 3 2 3 6 5 15 33 13 11 29 57 6 5 2 4 3 2 2 1 1 1 1 2 1 2 5 3 7 15 99 77 20 33 19 34 20 19 22 12 6 2 2 1 0 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 d 1H J 49 \| 82 81 d 1H J 81 \| 77 77 d 1H J 79 \| 72 72 dt 1H J 8 50 \| 72 71 dt 1H J 8 77 \| 70 70 d 1H J 82 \| 41 40 m 2H \| 40 39 d 4H J 163 \| 32 31 m 2H \| 30 28 m 6H \| 27 27 ddd 1H J 51 69 119 \| 27 25 m 3H \| 19 18 m 1H \| 17 16 ddt 1H J 52 68 120	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1ccc(C2CC2C(=O)NN)cc1	ir: 1 1 1 1 1 0 1 0 1 0 0 1 0 1 1 3 1 2 1 2 1 1 1 2 1 1 1 1 3 3 6 3 4 3 2 6 8 18 27 8 19 23 4 3 6 4 3 2 1 1 1 1 2 1 2 7 4 1 3 3 3 9 17 13 30 2 4 12 5 9 3 1 1 1 1 0 1 1 1 1 2 3 7 9 11 6 5 6 2 5 3 10 2 1 1 0 0 1 2 1 1 1 1 3 6 2 1 1 0 1 1 1 1 3 2 1 1 1 1 1 2 2 1 2 3 4 2 1 0 4 4 5 21 89 24 8 10 3 1 1 3 1 1 1 2 2 4 6 7 9 13 17 8 6 5 2 1 1 1 2 3 3 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 1 1 1 0 1 0 0 0 0 0 1 1 3 3 4 5 1 7 13 17 6 3 2 2 2 1 1 1 1 1 1 7 13 9 9 5 4 3 5 13 35 100 67 15 12 3 5 1 2 0 0 1 1 1 0 1 1 1 1 1 1 1 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 72 m 2H \| 71 71 m 2H \| 68 68 t 1H J 40 \| 41 41 d 2H J 40 \| 29 28 m 1H \| 26 25 dt 1H J 68 88 \| 17 16 dt 1H J 66 88 \| 15 14 dt 1H J 67 88 \| 14 13 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(OCc2cc(Cl)ccn2)cc1	ir: 3 3 6 4 21 10 11 6 8 4 11 16 47 47 26 14 13 12 12 25 51 62 38 60 7 16 4 4 6 5 4 4 4 5 9 6 13 4 2 2 0 1 1 2 9 3 2 2 2 1 2 6 13 0 89 39 16 7 2 1 1 3 2 8 28 21 11 20 8 10 7 3 9 6 33 27 8 7 58 66 14 8 5 3 4 5 27 55 14 6 0 1 1 1 1 2 2 2 2 2 1 1 1 1 1 4 5 2 1 1 1 2 2 6 22 100 6 5 16 11 17 9 3 2 3 7 7 4 2 0 0 1 1 1 1 3 5 10 7 2 10 19 44 49 7 19 34 11 19 18 13 28 14 8 13 4 4 9 10 14 11 4 2 2 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 1 1 0 2 1 1 1 2 3 4 4 7 11 47 98 93 26 12 4 2 2 4 1 5 68 2 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 d 1H J 34 \| 79 79 m 2H \| 73 73 dt 1H J 9 19 \| 72 72 dd 1H J 22 35 \| 70 69 m 2H \| 53 52 d 2H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

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