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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
COc1c(C)c(/C=C(\C)C(=O)O)c(OC)c2ccccc12	ir: 4 2 1 1 1 1 2 4 3 3 5 10 5 4 5 15 7 8 9 4 13 67 100 33 3 3 2 3 4 1 4 6 2 2 4 5 2 1 1 1 1 1 9 6 9 8 1 0 1 0 1 0 2 1 1 1 1 1 1 1 5 5 1 4 2 2 4 3 1 5 3 4 2 4 7 10 24 92 17 10 5 6 16 4 2 2 4 2 15 8 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 1 5 9 2 1 1 1 1 4 3 5 2 6 10 31 9 4 5 4 6 9 3 6 7 5 3 2 2 1 4 2 0 0 1 1 1 13 6 5 10 16 9 4 1 0 0 1 0 1 1 1 0 1 1 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 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 1 1 2 1 1 1 0 1 0 1 1 1 1 1 4 4 8 6 11 61 9 2 4 2 1 1 1 1 2 3 3 4 2 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; 1HNMR: 80 80 ddd 2H J 19 54 71 \| 77 77 q 1H J 15 \| 74 74 m 2H \| 40 39 s 3H \| 39 39 s 3H \| 24 24 s 3H \| 21 21 d 4H J 13	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2c(c1)CCc1cc(C(=O)O)ccc1C2=O	ir: 5 7 8 6 6 6 8 8 12 10 6 6 7 7 6 6 7 11 8 7 7 26 100 12 9 5 5 6 8 8 23 8 6 6 6 6 6 6 6 5 6 6 7 5 12 8 12 7 6 5 5 7 6 7 11 11 23 7 6 8 6 6 6 6 6 6 6 11 7 7 10 8 8 6 6 8 9 26 10 27 7 6 6 6 6 6 7 12 9 7 8 6 7 10 9 7 16 6 6 7 6 5 6 6 5 17 7 6 5 6 6 6 6 10 9 9 13 7 7 6 6 6 7 12 7 8 8 10 7 7 18 8 18 7 6 5 6 6 6 5 5 7 9 42 12 5 6 6 6 10 7 8 10 16 13 9 8 6 5 6 5 6 7 6 6 5 5 6 5 5 5 6 5 5 6 6 6 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 6 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 7 6 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 7 7 6 6 7 6 5 6 7 6 6 8 9 25 29 11 13 7 4 7 8 5 0 49 64 8 9 5 4 6 7 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 80 79 m 2H \| 78 77 d 1H J 88 \| 77 76 d 1H J 85 \| 72 72 m 1H \| 71 70 m 1H \| 30 30 m 2H \| 30 29 m 2H \| 23 23 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCN(c2cccc(N)c2O)CC1	ir: 4 4 3 4 6 7 5 4 4 7 7 20 10 12 7 18 18 18 21 16 7 5 5 8 5 3 1 2 1 1 1 3 2 2 3 1 2 5 8 12 3 1 2 2 3 2 2 4 6 5 2 2 1 1 1 2 1 1 2 1 1 1 2 2 1 2 2 1 1 1 3 6 4 2 2 2 2 1 3 6 6 17 15 11 4 4 3 3 10 5 2 2 1 3 1 2 2 8 2 4 11 5 4 2 1 1 1 1 1 1 2 7 3 1 1 1 3 3 4 6 9 8 2 3 2 1 1 3 2 3 4 3 1 1 4 3 8 4 3 1 1 4 1 1 1 1 1 3 4 0 4 35 7 9 9 2 1 1 17 8 17 5 2 0 1 1 1 0 1 1 0 0 1 1 1 0 0 1 1 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 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 1 0 1 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 3 1 1 1 2 2 2 2 6 7 4 3 9 14 3 1 2 1 0 6 4 37 2 1 1 1 1 1 1 1 1 28 6 1 1 1 1 1 1 1 1 3 12 100 6 2 1 1 1 0 0 1 0 0 0 1 1 1 1 1 1 0 1 1 0 0 0 1 1 1 1 1 1 1 1 1 1 0 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; 1HNMR: 69 68 t 1H J 81 \| 64 64 dd 1H J 13 82 \| 62 62 dd 1H J 12 80 \| 59 59 s 1H \| 46 46 s 2H \| 36 36 m 5H \| 34 33 m 4H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)/C=C/C1C2CC3CC(C2)CC1C3	ir: 13 13 7 9 18 20 17 20 17 14 16 13 9 11 5 4 8 10 4 4 3 2 1 2 3 2 5 4 5 5 2 5 4 3 2 3 2 1 1 3 2 1 2 3 2 2 2 4 5 5 3 4 2 1 3 6 8 8 8 8 4 3 5 18 15 4 3 3 2 2 2 5 5 27 23 13 4 3 5 8 24 58 47 74 100 13 8 4 1 2 3 3 1 2 3 3 1 2 3 4 14 42 6 7 16 27 20 7 14 16 31 25 12 15 22 11 6 6 8 5 7 5 8 5 6 13 17 11 12 21 10 5 6 17 34 68 45 10 6 4 3 4 3 3 5 29 46 8 0 5 3 0 1 4 3 1 1 3 3 2 2 3 18 1 2 4 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 2 1 2 3 2 1 3 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 1 3 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 2 3 1 1 2 3 1 1 2 3 1 1 3 3 2 1 3 3 1 2 3 2 2 2 3 3 2 3 5 4 3 5 16 10 5 11 17 23 17 21 76 69 67 25 20 8 4 4 4 3 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 2 3 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 1 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1; 1HNMR: 67 66 ddt 1H J 17 99 170 \| 58 57 dd 1H J 18 170 \| 42 41 q 2H J 61 \| 26 25 dtd 1H J 18 68 99 \| 23 22 m 2H \| 20 19 m 2H \| 19 18 dt 4H J 57 126 \| 17 17 t 2H J 55 \| 16 16 dt 4H J 57 128 \| 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.
N#CC[C@@H](O)c1cccc(OC2CCCCC2)n1	ir: 4 18 17 9 17 18 27 38 21 24 25 30 24 20 21 9 8 6 5 5 4 3 3 4 3 2 6 5 4 2 2 2 4 3 12 22 24 6 4 4 2 3 6 5 5 0 94 45 15 4 4 6 7 4 7 8 7 26 5 2 2 5 3 5 9 13 2 4 2 7 10 4 5 5 2 3 4 4 8 23 31 16 8 4 3 4 9 34 47 35 32 35 6 3 2 3 2 4 8 1 2 2 0 3 12 10 14 6 4 3 4 4 18 12 9 4 10 6 4 4 5 4 12 9 10 3 2 5 2 4 9 3 2 1 2 1 4 45 89 31 4 4 2 4 19 12 2 2 2 1 1 2 2 5 15 100 25 4 3 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 6 1 1 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 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 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 5 5 3 3 4 3 5 7 6 5 11 9 30 2 11 81 34 10 8 4 2 4 12 30 5 2 2 1 1 1 1 0 1 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 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 0 1 1 0 1 1; 1HNMR: 77 76 m 1H \| 74 74 m 1H \| 67 66 dd 1H J 12 80 \| 51 50 q 1H J 51 \| 47 46 m 1H \| 40 40 d 1H J 53 \| 32 31 dd 1H J 48 126 \| 29 29 dd 1H J 49 125 \| 20 19 m 2H \| 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.
O=C(c1ccccc1)c1ccccc1C(Br)Br	ir: 1 1 1 1 3 4 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 6 3 4 3 6 17 22 25 64 37 31 36 26 2 5 10 12 17 7 2 1 2 2 2 3 2 1 1 1 1 1 1 3 8 2 2 1 1 1 1 1 1 4 9 3 2 1 1 1 2 3 3 6 3 2 1 1 1 1 2 2 3 6 10 5 6 5 3 1 1 4 1 1 1 2 1 1 1 2 1 1 1 1 2 5 8 8 3 2 2 2 2 5 7 5 2 11 18 3 3 1 1 1 2 1 2 3 7 8 5 31 10 4 6 12 18 14 7 27 14 11 9 5 10 2 1 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 4 3 5 3 4 10 1 26 100 67 27 8 0 2 3 1 0 2 2 1 0 1 1 1 0 1 1 1 0 1 1 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 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 1 1 1 1 0 1 1; 1HNMR: 80 79 m 1H \| 78 77 m 2H \| 77 77 m 1H \| 76 75 ddt 1H J 16 66 85 \| 75 75 m 3H \| 75 75 s 2H \| 68 67 d 1H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccn[nH]1	ir: 1 1 2 2 2 1 1 1 1 9 9 2 2 1 1 1 1 2 2 2 5 4 14 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 5 6 2 3 2 2 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 2 2 1 1 2 13 3 1 1 1 1 1 2 4 17 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 7 8 7 3 2 8 17 6 2 1 1 2 2 3 11 5 2 7 3 1 1 1 1 1 2 1 1 1 1 2 0 34 100 2 1 2 5 4 3 3 1 1 1 1 1 1 1 1 2 10 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 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 2 4 5 2 1 2 3 5 3 4 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 2 2 4 3 10 10 7 4 5 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 35 \| 72 72 d 1H J 35 \| 44 44 q 2H J 64 \| 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.
COC(=O)c1cc(C=O)nc(COC(C)=O)c1	ir: 9 6 4 4 6 5 10 7 5 4 6 4 4 18 11 21 3 8 9 35 37 5 5 43 45 5 3 10 24 12 5 7 7 4 11 5 4 13 5 4 4 4 3 4 4 2 3 4 3 3 4 4 3 2 4 5 4 3 9 8 9 12 5 12 10 6 8 14 32 62 22 6 5 4 3 6 4 3 3 4 3 3 4 3 3 3 3 7 3 3 4 4 5 5 5 3 3 5 16 16 6 6 18 12 15 10 5 4 4 4 4 4 4 4 4 6 13 30 16 19 11 19 23 13 22 27 7 10 9 5 12 4 4 4 3 4 5 4 6 59 14 5 1 11 100 27 84 0 0 6 5 1 3 6 4 2 3 4 4 2 3 5 13 8 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 4 4 3 2 3 4 3 2 3 4 3 2 3 3 3 3 3 3 3 3 4 3 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 3 3 3 3 3 4 3 3 3 3 3 3 4 4 3 3 4 4 3 4 5 5 3 4 6 5 3 4 4 5 3 5 16 14 12 17 32 11 18 11 3 5 5 4 4 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: 96 96 s 1H \| 83 82 d 1H J 21 \| 81 80 dt 1H J 9 20 \| 54 53 d 2H J 9 \| 39 39 s 3H \| 21 21 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)COc1ccc(Cl)cc1C1c2ccccc2CCN1C(=O)OC(C)(C)C	ir: 1 4 10 5 4 4 2 1 1 8 10 13 5 2 4 3 4 6 3 2 1 1 4 4 3 2 2 11 11 6 1 1 1 1 1 0 1 1 2 3 8 32 5 4 7 9 1 1 1 1 1 2 3 10 7 27 3 4 1 1 2 5 9 7 2 1 21 5 5 4 4 1 1 2 5 3 1 1 1 1 1 0 1 6 3 0 3 3 4 23 2 1 3 8 10 1 3 2 4 3 6 4 2 5 5 6 2 1 2 1 2 2 2 2 3 10 2 7 3 11 22 11 19 4 5 3 7 4 5 9 4 8 5 4 7 4 3 2 26 3 2 7 7 3 50 19 4 2 4 23 5 52 5 3 1 1 0 1 0 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 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 1 3 4 1 2 2 2 7 3 2 3 2 3 5 13 18 10 30 100 53 11 3 3 1 0 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 dd 1H J 7 21 \| 75 74 m 1H \| 73 72 m 3H \| 72 71 ddt 1H J 8 18 82 \| 70 69 d 1H J 88 \| 64 63 d 1H J 9 \| 47 47 s 2H \| 43 42 q 2H J 66 \| 42 41 ddd 1H J 38 62 124 \| 36 35 ddd 1H J 37 62 124 \| 30 29 m 2H \| 15 14 s 7H \| 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.
O=C(O)c1cccnc1Oc1ccc(Cl)cc1	ir: 3 2 2 2 3 2 1 8 19 10 15 7 4 12 12 10 17 19 23 42 35 100 46 30 21 13 10 11 3 3 4 4 2 12 6 15 31 35 19 33 42 19 7 9 8 3 7 4 2 3 2 4 9 8 18 29 12 3 3 3 3 9 12 5 2 3 1 3 19 3 6 6 6 5 8 13 26 21 15 24 12 11 7 11 15 28 35 12 16 4 3 2 1 2 4 3 2 1 1 2 4 2 2 1 1 1 1 2 1 1 1 1 2 2 2 4 11 12 3 1 1 1 2 4 5 2 1 2 2 2 47 23 3 3 4 4 5 10 11 66 46 14 3 8 7 15 36 8 3 7 11 7 11 9 42 26 14 19 7 0 2 3 2 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 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 3 4 6 16 28 40 19 14 4 2 6 1 2 2 10 5 6 4 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 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 83 82 dd 1H J 21 43 \| 81 81 dd 1H J 21 80 \| 74 74 m 2H \| 72 72 m 2H \| 71 70 dd 1H J 44 81	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C2CCCC1CC(NC(=O)c1cccc3nc(-c4ccc(Cl)cc4)oc13)C2	ir: 1 1 1 1 5 1 2 3 2 4 1 15 2 1 2 27 3 17 8 1 0 4 5 1 2 4 1 5 4 4 2 1 3 4 3 3 12 2 2 1 4 8 100 24 11 4 3 11 2 2 11 1 1 6 11 10 8 1 1 3 1 1 2 2 2 1 1 1 2 4 3 2 2 4 2 2 3 5 26 1 10 21 3 1 1 1 4 1 2 2 1 2 3 3 2 3 38 6 13 3 1 1 0 1 1 2 2 1 4 5 3 3 4 9 6 4 19 8 1 4 1 2 4 5 2 4 4 54 16 2 5 7 5 4 12 7 7 21 4 2 2 45 3 3 6 10 21 24 27 27 5 2 8 6 1 2 2 1 1 0 5 1 3 1 1 0 1 1 1 0 0 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 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 0 1 1 0 1 2 3 3 2 3 2 2 1 4 5 8 8 20 63 63 32 0 3 5 4 0 1 2 1 0 1 1 1 1 1 2 1 2 3 3 3 2 9 17 46 34 3 2 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 0 0 0 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 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 79 79 m 3H \| 78 77 dd 1H J 15 92 \| 76 75 m 1H \| 74 74 m 2H \| 68 68 d 1H J 84 \| 39 38 dp 1H J 57 82 \| 31 30 qdt 2H J 15 44 71 \| 24 23 t 3H J 14 \| 22 21 ddd 2H J 57 69 128 \| 19 18 m 4H \| 17 15 m 3H \| 15 14 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cnn(-c2ccc(OC)nc2)c1N	ir: 2 2 2 4 3 3 2 3 2 2 6 2 3 6 8 8 7 2 2 2 2 2 1 1 1 3 5 5 5 1 6 6 18 11 9 16 5 11 4 2 3 1 1 2 2 1 1 1 1 0 1 3 2 6 28 2 6 2 1 1 1 1 1 2 1 1 1 1 2 3 4 2 1 1 2 1 1 1 1 2 1 2 5 3 2 1 1 1 3 1 1 1 1 3 1 1 3 1 1 1 3 3 0 0 0 1 0 0 0 0 3 2 1 1 1 0 3 1 1 1 1 1 3 5 0 1 1 0 8 1 1 0 0 1 1 3 2 100 4 2 1 0 1 1 3 4 1 2 2 5 20 2 6 3 1 1 9 4 20 43 6 3 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 0 0 0 0 2 1 1 1 0 1 1 1 0 1 1 2 1 1 5 3 2 7 11 1 2 1 1 0 0 0 0 0 0 0 0 1 0 0 1 56 12 2 0 0 1 0 1 1 0 0 2 56 15 2 0 0 1 0 0 0 0 0 0 0 1 1 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; 1HNMR: 86 86 d 1H J 20 \| 80 80 dd 1H J 18 82 \| 79 78 s 2H \| 78 78 s 1H \| 70 70 d 1H J 82 \| 42 42 q 2H J 63 \| 39 39 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.
CCOC(=O)C12CC1CN(C(=O)OC(C)(C)C)C2	ir: 11 7 6 36 26 11 12 10 26 45 100 15 14 6 7 5 4 5 4 2 4 1 1 2 2 1 1 1 4 5 2 2 2 4 2 4 17 3 6 8 3 2 4 6 7 10 4 2 3 1 1 2 6 5 2 4 4 3 3 3 2 6 6 2 2 7 2 2 1 1 1 12 4 4 4 2 1 2 2 2 1 4 3 2 16 2 4 2 2 2 3 17 4 4 4 7 28 17 2 4 4 15 24 4 4 2 2 6 16 12 10 8 4 7 10 54 25 23 9 9 9 12 11 8 5 7 9 14 15 19 9 24 6 19 32 4 2 3 3 3 1 3 16 54 25 26 15 13 13 8 11 69 7 2 1 1 1 2 2 1 1 1 1 0 1 2 1 0 1 1 1 0 1 2 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 1 1 1 0 1 1 1 0 1 1 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 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 3 7 5 3 4 6 6 1 2 4 3 9 10 21 29 13 9 14 6 2 2 14 7 6 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 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; 1HNMR: 42 41 m 2H \| 40 40 d 1H J 119 \| 38 37 m 2H \| 35 35 dd 1H J 27 114 \| 25 24 tt 1H J 27 35 \| 21 21 dd 1H J 37 73 \| 19 18 dd 1H J 37 73 \| 15 14 s 8H \| 13 12 t 3H J 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(N2CCCC(N3CCOCC3)C2)cc1	ir: 8 2 2 2 3 4 1 1 1 6 1 0 1 1 1 1 1 1 1 1 2 1 1 0 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 0 0 0 1 0 0 0 0 1 2 1 1 1 1 2 5 5 5 1 0 1 1 1 1 1 1 0 0 0 1 2 1 8 6 1 0 1 1 4 2 1 1 0 1 7 4 3 1 1 2 3 2 1 1 1 1 1 2 1 2 1 1 2 1 1 1 1 0 0 0 0 1 1 1 1 0 1 0 0 1 1 0 0 0 1 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 1 1 3 2 3 20 26 46 3 1 1 0 0 0 4 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 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 1 1 1 1 1 0 0 1 1 2 3 6 3 2 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 1 0 0 0 0 1 1 1 0 2 40 100 5 1 1 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 1 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; 1HNMR: 68 67 d 4H J 11 \| 41 41 s 2H \| 37 36 m 5H \| 35 33 m 3H \| 29 28 tt 1H J 46 60 \| 28 27 ddd 2H J 38 60 126 \| 27 26 ddd 2H J 38 59 125 \| 19 18 m 2H \| 17 16 m 1H \| 16 15 ddt 1H J 59 87 117	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)N1CCC(Nc2nc3ccccc3n2C2CCc3cccnc32)CC1	ir: 9 6 7 13 11 15 8 12 15 5 8 5 10 7 3 13 10 21 36 5 21 10 2 12 11 11 10 9 11 10 6 7 7 5 14 6 7 5 3 5 12 4 96 8 7 0 3 5 3 5 2 5 4 1 8 6 3 3 5 6 4 8 3 4 7 1 5 5 3 5 7 8 5 7 21 11 5 2 4 5 2 3 7 7 3 6 4 4 3 6 13 4 2 2 4 4 2 4 14 3 1 2 4 5 3 3 5 4 5 7 8 16 7 16 10 6 3 7 14 12 5 5 14 3 9 9 8 6 7 6 7 14 67 5 6 3 3 6 10 12 3 17 5 3 4 26 12 23 44 100 29 39 5 7 6 8 5 4 3 0 2 4 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 3 2 2 3 3 2 2 6 3 5 4 6 6 4 3 8 4 3 6 7 31 10 8 34 71 9 6 6 1 1 3 5 1 1 3 3 1 0 3 4 1 1 4 5 2 9 30 25 11 8 6 10 5 5 7 5 3 5 4 4 2 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 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 1 3 2 1 1 3 2 1 2 3 2 0; 1HNMR: 85 84 dd 1H J 22 48 \| 76 76 m 2H \| 76 75 ddt 1H J 9 20 81 \| 75 74 td 1H J 13 73 \| 73 72 m 2H \| 59 59 d 1H J 64 \| 55 54 t 1H J 34 \| 41 40 q 2H J 65 \| 40 39 dp 1H J 44 64 \| 38 37 ddd 2H J 59 86 130 \| 34 33 ddd 2H J 59 86 130 \| 31 30 dddd 1H J 8 55 73 152 \| 30 29 dddd 1H J 8 56 73 152 \| 26 25 dddd 1H J 34 55 73 137 \| 24 23 dddd 1H J 34 56 73 137 \| 22 21 dddd 2H J 42 57 84 128 \| 19 18 dddd 2H J 43 59 84 128 \| 12 12 t 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(c1cc(F)cc(C(F)(F)F)c1)C1CCC2(CC1)OCCO2	ir: 3 3 3 3 5 4 2 9 2 3 7 4 2 10 40 8 3 4 0 4 8 3 3 3 3 3 3 10 4 3 3 5 9 23 3 3 7 3 3 2 3 3 3 2 6 3 3 2 3 3 3 2 3 5 4 9 5 4 3 3 5 9 4 3 8 11 29 20 5 5 5 3 3 3 3 3 3 11 3 3 2 2 3 5 65 56 3 14 5 4 6 14 11 6 4 3 3 3 6 13 5 7 6 3 6 19 10 3 5 6 11 9 4 4 4 100 14 25 6 5 4 3 7 8 10 8 49 8 11 7 5 4 3 3 3 3 3 2 3 2 3 3 3 3 3 3 2 3 3 2 2 3 3 3 2 3 3 2 3 3 3 2 3 3 2 2 2 3 2 2 2 3 2 2 3 3 3 2 3 3 3 3 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 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 3 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 3 3 4 4 10 7 4 4 6 4 5 4 4 18 9 11 34 14 3 4 5 3 3 3 3 3 3 3 3 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 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 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3; 1HNMR: 79 79 t 1H J 22 \| 76 75 dd 2H J 21 121 \| 39 39 s 3H \| 32 31 m 1H \| 22 20 m 6H \| 19 18 ddt 2H J 76 102 137	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NNC(=O)c1ccccc1NCc1ccncc1	ir: 4 9 8 3 4 4 3 2 13 7 6 10 6 5 3 11 4 10 4 4 8 4 13 9 28 11 16 10 15 17 11 22 40 27 15 9 6 6 3 2 7 62 47 9 21 15 18 9 7 0 3 8 2 1 3 5 2 3 4 13 12 22 17 24 33 37 22 44 26 53 30 10 12 7 15 4 3 1 2 2 2 3 6 6 4 7 12 19 35 18 5 6 8 3 2 3 3 3 5 4 3 4 2 3 1 2 4 2 1 6 8 22 6 3 3 2 2 3 5 6 7 13 6 3 2 3 10 3 4 3 12 17 64 12 12 17 26 49 7 2 3 5 4 2 3 22 35 15 35 22 22 9 17 25 5 5 20 9 6 14 46 13 15 4 2 1 1 1 1 2 1 1 1 1 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 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 1 0 1 2 1 1 2 2 1 1 2 2 2 1 2 3 5 13 13 63 55 16 6 4 3 2 2 3 2 1 3 4 3 9 34 100 13 9 3 13 8 11 46 53 66 61 16 10 6 4 5 2 3 1 1 2 2 2 2 2 1 2 2 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 0; 1HNMR: 89 89 t 1H J 42 \| 85 84 m 2H \| 78 78 dd 1H J 17 81 \| 73 72 m 3H \| 73 72 td 1H J 16 80 \| 71 70 dd 1H J 15 78 \| 64 64 t 1H J 56 \| 47 47 dt 2H J 9 57 \| 43 43 d 2H J 42	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCCOCCCCCCBr	ir: 1 3 6 5 26 14 9 4 5 2 3 4 3 2 2 13 10 5 20 44 15 6 4 2 2 2 10 1 1 1 2 1 1 2 1 1 1 5 4 7 14 5 3 9 12 3 2 1 2 4 6 2 2 6 3 4 13 6 5 3 10 8 4 14 8 2 15 5 7 5 3 18 45 92 12 26 49 23 10 5 2 3 1 1 2 2 1 5 2 1 1 1 4 9 7 3 2 4 3 5 3 4 6 19 19 61 47 41 26 14 3 5 9 5 2 7 10 32 11 47 50 19 13 5 4 5 6 3 3 5 19 4 4 1 1 2 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 14 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 2 1 1 1 2 1 1 2 2 1 1 2 2 1 2 2 3 10 15 29 37 12 12 5 7 7 8 8 4 73 100 18 17 1 2 5 2 1 1 2 1 1 1 1 2 1 1 1 3 57 6 2 1 0 1 2 0 0 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 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; 1HNMR: 36 35 t 2H J 52 \| 35 34 m 4H \| 27 26 td 2H J 25 52 \| 20 20 t 1H J 25 \| 19 18 tt 2H J 47 76 \| 16 14 m 6H	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(C2CC2)c(OCC2CCN([C@@H]3c4ccccc4C[C@@H]3O)CC2)cc1F	ir: 1 5 5 4 5 6 16 8 16 7 18 3 5 6 7 3 2 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 4 2 2 3 3 1 4 5 4 5 12 3 1 2 0 1 1 0 1 2 0 3 0 2 1 2 3 1 3 2 5 2 5 2 4 6 20 6 1 1 3 3 2 2 2 3 3 11 9 5 5 1 1 14 4 30 14 24 3 1 1 1 2 2 8 1 5 2 2 3 2 1 1 2 3 8 3 5 7 1 1 1 2 2 4 8 10 3 2 3 5 2 1 1 4 2 2 3 3 2 3 3 3 1 8 2 2 3 2 3 5 1 2 4 12 63 19 5 2 2 3 11 0 1 1 2 1 3 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 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 1 1 1 1 2 1 1 0 1 3 2 7 3 3 21 9 12 32 25 2 4 11 2 13 100 6 3 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; 1HNMR: 79 79 dd 1H J 7 46 \| 73 71 m 5H \| 68 68 d 1H J 121 \| 44 44 ddt 1H J 48 59 68 \| 42 41 dd 1H J 18 48 \| 40 40 d 2H J 51 \| 30 28 m 5H \| 28 26 m 3H \| 21 20 pt 1H J 51 62 \| 20 19 dddd 2H J 54 63 81 124 \| 17 16 dddd 2H J 53 62 81 124 \| 16 16 s 7H \| 11 10 m 2H \| 8 7 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1nc(Cl)ccc1C(C)NCC1CCC1	ir: 4 2 2 2 2 2 1 4 3 1 1 2 2 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 3 5 3 4 3 2 5 5 7 10 12 57 38 35 21 5 4 3 3 2 8 3 3 4 8 25 17 8 3 6 9 9 13 3 3 3 2 2 3 3 3 3 4 11 5 5 6 6 5 3 2 6 4 3 2 2 2 3 2 3 4 1 2 2 2 2 3 2 2 2 7 5 3 6 10 9 9 24 12 12 8 7 3 8 11 10 38 6 9 9 9 10 14 3 5 4 5 8 14 5 2 6 5 9 7 5 8 10 48 34 6 11 5 3 4 2 2 2 2 2 3 6 33 47 5 0 2 3 3 6 6 4 2 1 2 2 2 1 1 2 1 1 1 2 2 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 2 2 1 2 2 1 2 2 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 2 2 2 1 2 2 2 1 2 2 2 2 2 2 3 2 2 2 3 3 3 6 4 5 7 6 10 8 12 9 11 23 9 4 6 5 3 3 3 2 2 3 2 2 3 4 2 2 10 7 31 100 19 7 4 2 2 2 2 2 1 1 2 2 2 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 1 1 1 1 1 1 1 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; 1HNMR: 76 75 dd 1H J 7 75 \| 72 72 d 1H J 75 \| 41 40 m 1H \| 33 31 hept 1H J 66 \| 29 29 dt 1H J 58 75 \| 28 27 dd 2H J 38 59 \| 18 17 m 5H \| 16 15 m 5H \| 14 13 dd 6H J 66 117	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)Cc1ccc2c(c1)C=Cc1ccccc1C21OCCO1	ir: 2 5 10 6 3 7 14 21 8 13 12 6 4 10 21 6 19 23 13 8 12 30 22 20 25 49 30 15 13 18 25 17 5 10 15 7 7 9 9 10 13 25 20 16 49 9 7 8 5 7 8 4 8 11 14 6 14 13 6 3 7 10 6 3 7 9 4 11 22 5 5 8 17 16 12 27 18 12 6 3 5 5 4 8 5 7 6 3 6 8 4 23 20 5 4 3 7 5 4 11 17 5 5 18 52 13 25 36 22 5 3 4 5 4 3 4 8 8 10 10 10 9 9 9 7 8 3 5 5 4 3 4 5 9 12 11 11 6 7 8 4 6 8 15 19 41 18 8 15 11 13 9 26 16 18 25 37 75 37 17 27 4 11 9 6 0 3 6 4 1 3 6 3 1 3 6 3 1 3 5 3 1 3 5 3 2 4 4 2 2 4 4 2 2 4 4 3 3 4 4 2 2 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 4 4 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 2 3 4 4 2 3 4 4 2 3 4 4 7 5 7 6 4 5 5 8 8 18 10 37 100 38 28 9 5 6 7 3 2 4 5 3 2 5 6 8 5 26 12 14 8 7 7 4 3 4 4 3 6 11 25 71 18 14 6 4 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 4 4 3 2 3 4 3 2 4 4 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4; 1HNMR: 75 75 ddd 1H J 6 14 70 \| 75 75 dt 1H J 9 19 \| 74 74 ddd 1H J 13 63 76 \| 74 73 m 3H \| 73 72 dd 1H J 14 75 \| 72 71 m 2H \| 64 64 s 2H \| 42 41 m 2H \| 41 40 m 2H \| 34 34 t 2H J 9	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(Br)c2)CCCCC1	ir: 1 2 1 4 3 2 4 5 3 4 7 5 10 6 8 5 4 3 6 3 5 4 2 2 3 4 4 4 2 5 2 9 40 7 4 2 2 1 1 1 1 2 4 2 9 4 7 3 10 3 4 2 3 3 3 4 2 1 3 2 1 2 1 5 5 8 22 15 8 4 8 4 6 1 1 2 1 0 1 1 1 1 1 2 1 3 10 4 14 16 5 3 3 6 4 4 1 2 1 1 0 1 2 1 1 0 1 1 2 2 3 4 5 3 4 5 2 5 10 10 4 5 2 5 3 5 4 2 1 1 3 2 3 2 2 3 2 5 4 3 7 5 10 16 18 10 5 1 1 1 1 0 1 1 1 3 1 1 3 67 1 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 1 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 1 1 1 1 1 1 1 2 2 1 2 2 3 4 8 7 29 7 15 6 4 2 2 9 22 100 27 4 1 2 1 0 1 2 1 4 5 76 9 6 5 7 3 4 3 1 1 0 1 1 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; 1HNMR: 75 74 m 2H \| 73 73 m 1H \| 73 72 m 1H \| 69 68 tt 1H J 22 121 \| 68 67 ddt 2H J 8 16 122 \| 66 66 d 1H J 84 \| 41 40 t 1H J 69 \| 40 39 dq 1H J 61 84 \| 39 38 dq 1H J 38 58 \| 38 37 d 1H J 43 \| 31 30 m 2H \| 29 27 m 2H \| 23 22 m 2H \| 19 18 m 5H \| 17 16 m 2H \| 16 15 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOCCNc1cnccc1NC(=O)CN1CCN(Cc2ccccc2)CC1	ir: 2 3 3 2 2 7 33 7 1 3 10 9 22 4 16 17 3 7 8 6 12 9 21 10 11 28 12 8 11 8 15 5 7 6 10 6 7 20 19 27 14 5 3 8 6 11 7 2 15 5 4 8 9 24 4 4 5 4 2 0 2 2 1 1 12 10 6 7 19 7 3 8 6 21 13 3 4 5 2 4 66 5 2 22 9 3 3 6 4 6 3 1 7 12 8 3 3 4 8 18 22 12 4 2 3 2 1 2 3 7 1 2 6 18 4 2 6 5 4 10 7 3 4 2 6 2 4 4 15 11 5 6 4 3 11 18 11 10 3 4 7 60 13 9 6 4 4 10 39 14 7 9 9 2 7 20 5 2 2 1 1 8 12 2 1 0 1 2 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 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 1 1 1 0 1 2 2 1 1 2 3 2 2 3 2 1 2 3 3 2 13 14 14 35 18 5 2 2 2 4 4 2 2 1 1 2 1 1 2 2 3 5 3 7 7 4 57 37 100 40 8 14 9 3 3 3 2 2 1 2 1 1 1 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 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 0 1 1 0 1 1; 1HNMR: 97 97 s 1H \| 82 82 d 1H J 13 \| 82 82 dd 1H J 14 41 \| 75 75 d 1H J 42 \| 73 72 m 5H \| 65 64 t 1H J 53 \| 37 36 d 2H J 8 \| 36 36 t 2H J 38 \| 36 35 m 4H \| 34 34 s 2H \| 29 28 m 4H \| 27 27 m 4H \| 11 10 t 3H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOC(=O)N1CCC(NS(C)(=O)=O)CC1	ir: 1 1 5 2 7 3 4 3 2 1 2 2 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 2 6 5 3 1 2 2 1 1 1 1 5 1 4 1 1 2 3 7 3 1 1 1 1 1 1 1 2 13 7 5 1 1 2 3 4 1 1 1 1 1 1 1 1 0 2 10 0 5 1 1 1 1 1 1 2 1 1 1 1 2 6 9 12 3 4 2 5 4 2 2 1 2 2 4 4 9 17 4 1 4 7 2 1 1 1 1 1 1 1 1 2 2 2 1 2 2 2 2 1 1 1 1 1 1 1 1 1 0 7 15 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 2 6 4 2 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 2 6 27 100 3 2 0 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 44 43 d 1H J 97 \| 41 41 t 2H J 69 \| 37 36 ddd 2H J 60 88 130 \| 34 33 m 3H \| 30 30 s 2H \| 22 21 dddd 2H J 52 60 88 121 \| 19 18 dddd 2H J 51 59 86 121 \| 17 16 p 2H J 70 \| 14 13 h 2H J 70 \| 10 9 t 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(NC(=O)c2ccc(C(C)(C)C)cc2Oc2ccc(C(F)(F)F)nc2)ccn1	ir: 1 1 5 3 1 6 6 4 2 2 2 1 1 5 5 27 9 7 2 4 3 3 3 4 4 4 3 2 11 3 5 7 12 9 13 2 26 13 6 3 4 2 2 3 12 17 4 17 6 6 3 6 6 61 18 8 7 1 2 3 2 2 9 9 15 38 34 60 5 4 5 6 8 24 8 0 3 2 1 0 2 2 1 1 3 3 3 5 5 6 3 0 2 2 2 27 9 16 13 5 10 12 6 2 10 6 3 2 2 2 3 8 52 6 3 3 13 2 4 2 3 3 2 4 10 7 2 4 3 4 2 3 1 4 1 2 11 100 12 4 2 1 1 2 4 5 25 3 11 6 8 5 9 14 13 3 8 5 5 2 7 20 61 18 4 3 2 2 1 1 1 2 1 1 1 2 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 1 1 2 3 5 9 4 21 37 70 23 5 2 5 3 2 1 1 2 1 1 1 2 1 1 1 2 1 2 3 3 5 9 18 37 6 4 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; 1HNMR: 81 80 m 2H \| 78 78 d 1H J 81 \| 77 76 dq 1H J 21 72 \| 73 73 m 2H \| 72 72 dd 1H J 21 81 \| 70 70 d 1H J 21 \| 70 69 d 1H J 21 \| 40 39 s 3H \| 13 13 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(Cn2cc(C(=O)O)c(C3CC3)n2)cnc1N1CCCC1	ir: 2 1 0 1 2 2 1 1 3 8 3 2 2 3 3 2 4 16 9 6 3 13 25 100 19 3 3 3 4 3 3 3 4 10 13 4 10 6 6 7 10 2 4 3 2 2 1 1 1 1 2 2 2 1 1 2 1 1 2 4 3 3 1 1 2 2 2 10 7 3 1 2 1 2 2 2 7 50 14 4 1 0 1 1 1 4 5 2 3 3 5 4 5 4 2 4 3 4 6 2 1 3 3 5 3 1 3 4 4 2 9 2 3 2 3 10 26 3 2 2 1 3 2 2 1 8 3 3 3 3 1 2 2 1 3 1 2 1 3 22 5 3 9 27 9 12 12 2 5 13 11 3 4 1 15 5 1 1 4 3 3 4 2 0 0 1 1 0 0 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 1 1 1 1 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 1 1 2 1 1 1 2 1 2 3 4 8 1 5 8 6 5 6 5 8 2 2 2 7 30 2 1 1 1 1 1 0 1 1 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 1 0 0 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 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; 1HNMR: 79 79 t 1H J 8 \| 78 78 dt 1H J 9 19 \| 75 75 dt 1H J 9 19 \| 55 54 q 2H J 9 \| 39 39 s 2H \| 38 37 m 4H \| 25 25 p 1H J 55 \| 21 20 m 4H \| 11 10 m 2H \| 9 8 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCC1Cc2cccc(-c3ccsc3)c2O1	ir: 0 1 1 1 1 1 2 1 0 1 1 1 1 4 7 2 1 2 2 1 1 1 2 1 0 2 2 1 1 2 2 1 1 5 6 4 4 19 46 37 5 28 31 25 28 23 34 59 26 13 39 49 2 2 1 3 3 7 9 7 4 7 13 7 11 6 9 11 11 6 23 8 5 20 14 6 3 3 3 1 2 5 3 1 2 2 2 3 4 4 0 10 8 6 20 22 14 16 6 4 9 13 6 3 8 10 2 5 26 17 4 3 3 2 1 1 2 3 4 2 3 11 11 6 3 2 3 7 9 11 9 3 4 5 8 19 21 3 6 18 28 21 28 4 3 6 4 3 2 2 2 4 6 3 1 3 32 30 1 2 1 1 2 3 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 1 1 1 1 1 1 1 1 2 2 5 5 3 12 12 6 4 10 6 8 31 100 58 68 47 45 29 9 4 2 4 2 2 2 2 3 2 1 3 5 9 11 2 2 2 2 5 23 39 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; 1HNMR: 76 76 t 1H J 17 \| 75 75 dd 1H J 15 77 \| 74 73 m 2H \| 72 72 t 1H J 80 \| 72 71 m 1H \| 49 48 tt 1H J 27 44 \| 33 32 m 2H \| 31 30 m 2H \| 18 18 t 2H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(C1CCOCC1)C2=O	ir: 10 3 3 5 1 4 3 3 2 4 4 3 3 4 3 4 0 4 8 3 4 2 3 2 2 2 2 2 2 3 2 2 2 2 3 2 3 5 3 3 9 7 28 13 52 31 8 3 5 10 3 3 4 17 19 13 10 4 3 2 3 4 2 2 3 5 6 2 9 12 3 8 4 6 12 10 13 4 5 4 3 3 7 3 3 8 6 4 3 7 2 3 3 4 10 2 3 3 3 3 3 3 2 3 4 7 3 4 4 4 6 4 4 13 4 9 4 12 4 11 10 4 5 5 9 7 3 6 7 7 32 5 6 4 3 5 7 48 10 23 4 2 100 2 4 3 3 20 14 4 3 3 11 35 4 7 3 9 24 4 2 3 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 2 2 2 2 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 4 3 3 3 3 3 5 5 4 4 5 7 6 4 15 9 30 50 38 8 8 8 4 3 3 5 4 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 76 75 dd 1H J 13 70 \| 74 73 td 1H J 13 76 \| 73 72 m 4H \| 72 71 td 1H J 12 72 \| 70 70 dd 1H J 12 77 \| 62 62 s 1H \| 60 60 s 1H \| 46 45 hept 1H J 45 \| 41 40 p 1H J 60 \| 39 39 s 2H \| 37 37 ddd 2H J 35 62 110 \| 36 35 ddd 2H J 35 62 110 \| 22 21 dtd 2H J 35 61 130 \| 20 19 dtd 2H J 35 62 130 \| 15 15 dd 6H J 46 79	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCc2ccc(Oc3ccc(C(=O)O)cn3)cc2CC1	ir: 7 3 4 11 1 10 3 2 20 7 11 19 47 25 12 8 10 9 4 7 13 45 60 28 20 10 6 2 1 2 5 3 7 26 53 88 13 9 4 5 3 2 1 2 1 1 2 1 1 3 2 2 6 28 24 13 5 2 1 2 2 4 2 1 1 1 3 6 6 14 10 2 2 2 5 2 10 16 7 77 38 3 5 1 1 3 9 2 3 6 15 4 7 9 2 4 4 8 3 2 1 0 2 2 7 3 3 2 0 2 1 2 2 10 10 26 26 7 8 11 11 13 11 9 30 6 6 5 4 9 11 5 2 5 4 11 13 43 13 3 2 3 12 17 75 32 4 3 5 28 19 62 8 2 18 1 1 2 1 1 2 56 52 1 1 2 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 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 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 1 1 1 1 4 2 2 1 2 2 3 2 3 2 4 2 10 17 4 36 100 49 13 3 2 3 1 1 1 10 61 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 0 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 d 1H J 19 \| 81 81 dd 1H J 19 80 \| 72 71 dt 1H J 9 19 \| 69 69 dt 1H J 8 83 \| 69 68 m 2H \| 37 36 dt 5H J 66 178 \| 29 28 dtd 4H J 9 67 141 \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCCc1ccccc1Cl)c1c(Cl)ccc2nc(Cl)ccc12	ir: 4 3 7 3 1 3 4 2 2 1 1 2 1 2 2 2 3 2 2 2 4 5 12 9 5 5 2 3 13 22 7 1 8 4 10 7 23 37 6 6 21 34 60 11 4 1 5 5 7 2 1 1 2 6 33 41 5 7 3 9 4 4 2 2 2 2 2 3 2 5 1 1 1 2 6 7 2 3 2 1 2 1 1 1 2 2 2 5 5 4 7 3 3 4 2 1 2 2 1 6 3 2 1 3 2 1 1 2 6 3 3 2 1 3 2 1 2 1 4 2 3 3 6 7 4 5 8 3 2 5 8 5 17 3 3 2 20 8 5 4 9 5 9 8 15 15 75 96 70 27 20 12 4 3 2 4 25 13 4 2 2 1 1 2 1 6 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 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 2 1 0 1 3 2 1 2 3 2 0 2 4 2 2 9 15 29 100 54 18 7 11 3 2 3 3 1 1 1 2 1 1 2 2 2 1 2 4 6 12 36 22 14 6 7 2 2 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; 1HNMR: 84 84 d 1H J 85 \| 82 81 d 1H J 84 \| 77 77 m 2H \| 75 74 d 1H J 82 \| 73 72 m 3H \| 72 71 m 1H \| 38 37 q 2H J 54 \| 30 30 td 2H J 8 55	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1ccc(-c2ccccn2)s1	ir: 10 19 19 17 33 35 20 5 9 11 8 6 3 3 6 3 3 3 1 2 1 1 2 1 2 2 3 5 6 1 2 3 7 7 7 13 9 20 29 26 44 9 5 3 2 2 3 5 5 1 2 1 2 12 9 17 6 5 17 9 8 4 4 4 8 15 2 1 3 17 15 2 1 2 8 5 4 2 16 16 7 8 12 28 18 17 9 34 39 51 69 18 26 5 7 3 5 2 3 2 2 1 5 9 28 9 2 2 0 1 2 1 0 2 10 11 2 1 3 1 1 2 3 2 2 1 1 1 0 3 5 4 31 20 7 4 17 28 13 7 5 10 11 8 1 3 3 9 5 3 1 1 1 10 8 2 74 100 11 2 4 1 1 0 0 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 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 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 0 1 1 2 2 3 1 53 9 29 41 28 8 6 6 3 5 66 47 4 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 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 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 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 86 85 dd 1H J 17 41 \| 79 78 dd 1H J 14 71 \| 78 77 td 1H J 17 71 \| 74 74 d 1H J 71 \| 72 72 m 2H \| 47 47 dd 2H J 9 53 \| 30 30 t 1H J 52	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1N1CCN(CCc2ccccc2Br)CC1	ir: 4 3 2 2 5 10 7 3 3 2 3 4 6 4 2 3 5 3 3 3 4 2 1 1 1 1 1 3 3 12 2 3 2 1 1 14 5 3 2 5 5 16 84 29 32 16 3 3 3 5 2 0 2 3 2 1 4 18 5 4 4 12 21 7 5 4 4 5 18 48 5 4 15 5 9 28 4 1 5 24 42 20 16 13 22 100 4 11 8 11 18 5 3 3 6 7 7 5 1 25 18 15 16 8 4 3 4 6 2 3 2 2 2 3 3 2 2 1 2 2 3 2 1 2 6 2 1 3 4 2 1 3 4 1 1 4 53 24 29 7 16 11 8 6 8 16 5 9 19 24 4 3 3 1 2 7 2 3 1 2 8 2 1 2 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 1 1 1 1 1 1 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 2 2 1 2 6 4 5 3 3 3 4 2 3 4 24 13 10 34 97 49 18 5 6 3 2 2 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 74 74 dd 1H J 12 80 \| 73 72 m 2H \| 71 71 ddd 1H J 24 68 79 \| 70 69 ddd 1H J 15 72 84 \| 69 69 m 2H \| 69 68 dd 1H J 16 72 \| 39 38 s 2H \| 30 30 m 4H \| 29 28 m 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)COc1ccc(O)nc1	ir: 2 7 8 2 11 13 28 29 10 8 2 6 11 17 14 8 10 4 4 1 2 1 1 1 3 2 3 5 3 8 7 3 2 4 19 29 22 3 1 2 1 1 1 0 0 1 1 0 1 2 1 3 17 30 17 5 3 1 2 1 1 4 3 5 5 23 6 12 14 16 32 25 29 11 6 9 3 1 2 2 0 0 1 1 0 1 1 3 1 2 1 1 1 1 1 1 1 2 3 3 7 5 1 1 0 0 1 1 1 2 6 3 3 2 3 1 1 1 2 1 4 2 2 4 3 3 3 4 1 1 3 3 2 2 2 2 62 23 7 1 1 0 1 5 8 12 1 1 4 17 7 1 2 1 1 0 1 1 1 2 6 2 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 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 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 0 1 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 1 3 5 1 4 8 8 2 1 1 1 1 2 4 28 100 75 5 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 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; 1HNMR: 76 76 d 1H J 19 \| 71 70 dd 1H J 18 90 \| 66 65 d 1H J 90 \| 48 48 s 2H \| 43 42 q 2H J 66 \| 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.
O=C(CC(=O)C(F)(F)F)c1ccccc1Cl	ir: 2 1 1 2 1 1 3 1 1 1 1 1 1 3 1 1 5 2 1 2 3 2 1 2 3 2 2 2 1 1 1 1 1 1 1 6 3 2 2 1 1 6 44 56 3 0 2 2 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 3 4 8 2 1 4 5 1 1 1 1 1 2 1 1 1 1 1 2 3 1 0 1 2 2 1 1 6 12 100 5 2 2 2 1 0 1 1 1 6 2 2 1 1 1 2 1 1 1 1 1 1 2 3 3 2 2 3 12 22 7 3 3 2 6 2 2 5 3 2 1 2 12 10 3 3 7 3 1 7 4 1 1 1 1 1 1 1 1 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 1 1 1 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 3 3 1 1 1 2 2 1 2 9 5 8 25 7 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: 79 78 dd 1H J 17 76 \| 75 75 dd 1H J 15 79 \| 74 74 td 1H J 17 77 \| 74 73 td 1H J 16 76 \| 38 37 q 2H J 18	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CNC(=O)c1c(O)nc(Cc2ccccc2)n(Cc2ccc(Br)cc2)c1=O	ir: 3 2 3 3 2 3 3 5 13 15 16 16 13 14 9 9 1 4 7 10 16 27 10 13 10 8 9 5 7 11 13 8 6 7 6 5 4 4 5 3 25 4 6 2 2 5 5 4 5 4 6 7 7 5 100 4 3 8 3 0 1 2 1 0 1 2 1 2 5 3 3 5 32 3 2 4 9 15 16 30 10 3 2 3 3 7 6 3 8 7 1 3 8 3 3 1 3 5 2 2 3 2 1 2 2 2 9 2 2 2 1 1 2 1 1 2 3 2 1 2 2 5 2 4 2 15 7 2 2 1 1 2 3 4 3 4 12 5 4 9 5 3 9 16 14 6 10 12 4 3 5 60 49 1 3 3 2 1 1 4 3 84 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 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 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 3 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 2 2 2 3 2 1 2 3 2 3 7 10 14 64 13 6 5 3 3 4 2 4 5 29 82 4 3 2 2 2 1 1 2 1 2 3 5 5 12 9 3 4 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 1; 1HNMR: 95 95 t 1H J 70 \| 75 75 m 2H \| 73 72 m 8H \| 52 52 t 2H J 9 \| 39 39 d 2H J 71 \| 38 38 d 1H J 17 \| 38 38 s 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C1C[C@@H](c2nn[nH]n2)CN1	ir: 1 1 1 1 1 2 4 4 0 2 3 2 2 1 2 2 5 4 6 9 5 2 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 1 1 1 1 3 2 2 3 4 3 9 6 11 14 3 3 2 1 3 5 13 12 5 3 32 24 7 5 4 14 4 9 5 8 3 2 7 3 2 2 1 1 0 1 1 1 0 1 1 5 3 2 1 2 1 2 1 1 1 1 3 4 10 4 11 3 5 11 9 17 35 24 20 10 9 17 14 13 6 9 7 5 2 4 4 6 9 1 5 3 3 1 1 1 0 0 1 2 2 14 24 24 13 15 5 8 1 1 0 0 1 1 0 0 1 1 5 6 2 1 0 0 0 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 0 0 0 0 0 0 0 0 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 1 0 0 1 1 1 2 3 2 1 1 3 2 1 22 7 5 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 1 1 1 8 85 61 100 7 3 2 0 4 33 59 3 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; 1HNMR: 35 34 ddq 1H J 18 39 57 \| 34 34 m 1H \| 34 34 s 1H \| 32 31 m 2H \| 31 30 dddt 1H J 17 33 47 127 \| 25 24 m 1H \| 23 22 dddd 1H J 29 47 57 164	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=CBr)CCCCC1=CCN(Cc2ccccc2)C1=O	ir: 2 6 5 4 2 3 7 8 2 1 1 2 3 1 2 2 3 3 2 3 2 4 4 2 2 2 2 2 3 2 19 10 13 7 11 15 16 18 33 86 100 20 34 14 8 10 15 2 4 3 5 3 2 7 7 4 1 4 2 5 3 1 3 3 4 9 21 24 16 8 7 10 7 3 2 2 4 8 3 1 1 2 1 1 3 3 10 6 13 16 8 6 4 5 4 4 8 12 16 6 7 3 1 2 8 28 11 9 17 25 22 22 21 19 8 10 9 37 19 18 13 10 4 7 8 8 2 5 3 2 4 3 13 6 9 67 34 7 4 4 4 7 7 28 9 8 9 16 38 9 9 21 20 9 4 6 29 9 1 1 1 1 1 0 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 0 1 1 0 0 1 1 1 1 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 0 0 1 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 1 1 1 0 2 2 3 2 2 4 8 6 3 5 8 2 8 11 11 16 44 25 69 74 44 19 3 4 5 4 5 3 2 0 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 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 0 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 1 1 1 0 1 1; 1HNMR: 74 72 m 5H \| 67 66 tt 1H J 14 26 \| 59 58 p 1H J 13 \| 46 46 d 2H J 8 \| 39 38 dt 2H J 11 24 \| 24 23 tq 2H J 10 79 \| 22 21 m 4H \| 16 14 m 4H \| 10 10 t 3H J 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCCC1CCCCC1	ir: 0 1 1 1 7 3 4 2 2 2 3 3 1 2 2 3 0 2 7 10 33 36 7 14 5 6 3 4 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 1 3 3 7 6 4 4 1 3 2 5 6 1 1 1 0 1 1 1 1 1 1 2 2 2 1 1 1 1 4 2 1 2 1 1 3 2 2 2 3 3 2 1 2 3 2 1 2 2 1 1 1 1 1 1 0 0 0 1 0 1 1 1 1 1 2 5 5 4 10 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 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 1 0 1 2 1 1 1 1 1 1 1 3 5 3 3 2 1 1 0 2 2 2 2 4 46 100 64 31 26 3 2 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 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; 1HNMR: 23 23 t 2H J 91 \| 16 15 p 2H J 89 \| 15 12 m 12H \| 12 11 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCN(CC=C)C(=O)CCCl	ir: 7 5 1 4 6 4 2 4 9 4 4 5 10 6 3 6 6 3 4 6 8 6 12 16 25 16 4 18 22 8 12 13 12 2 2 7 6 2 4 17 11 11 8 10 6 2 4 8 5 1 4 9 5 5 9 12 12 4 5 10 8 14 16 21 25 5 8 10 7 16 26 48 19 17 14 7 5 4 6 6 4 3 7 10 11 10 7 6 2 5 10 12 5 3 7 5 2 6 9 6 3 4 11 9 8 5 8 6 4 6 9 16 12 15 9 5 8 9 21 15 16 13 6 10 11 10 12 10 7 9 11 6 6 10 31 23 25 30 57 35 12 9 15 9 10 24 100 45 21 10 5 1 2 5 4 1 3 5 6 3 3 5 3 0 2 6 3 0 2 5 3 0 3 5 2 0 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 1 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 0 3 5 3 0 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 4 4 1 2 4 3 1 2 5 4 2 2 5 6 3 5 9 9 9 10 11 28 45 9 58 32 23 51 19 9 8 14 15 7 14 21 22 11 5 4 5 3 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1; 1HNMR: 59 57 ddt 2H J 58 114 171 \| 53 52 ddt 2H J 13 24 170 \| 51 51 m 2H \| 38 38 dt 4H J 14 59 \| 38 37 t 2H J 39 \| 27 27 t 2H J 39	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1(c2ccc(F)c(Br)c2)OC(=O)C2=C1CCCC2	ir: 24 23 7 7 5 5 11 4 3 7 30 10 5 8 7 2 1 9 21 3 2 10 14 2 4 4 5 3 4 8 5 8 5 8 15 28 9 6 6 1 6 10 3 0 2 4 3 13 12 37 3 2 6 100 95 64 15 4 3 4 6 7 6 15 10 18 38 56 21 7 3 3 5 5 2 0 6 4 3 1 7 9 18 26 5 4 1 2 6 17 17 4 8 5 3 16 36 86 5 2 4 3 1 4 7 9 11 18 18 36 51 15 25 85 87 48 19 18 14 15 6 4 5 7 4 17 27 27 3 46 6 4 3 3 3 3 22 10 16 32 33 56 2 4 3 1 3 6 27 56 3 5 5 15 23 13 4 3 2 3 3 7 2 4 2 1 2 3 2 0 2 4 2 1 2 3 3 1 2 3 1 0 2 3 1 1 2 3 2 1 2 2 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 0 1 3 2 0 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 2 3 1 1 4 2 1 1 3 3 1 3 11 9 4 9 3 6 4 5 4 6 17 10 13 41 37 85 16 11 2 3 4 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 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 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3; 1HNMR: 77 77 dd 1H J 21 30 \| 73 72 m 2H \| 36 36 s 2H \| 25 23 m 2H \| 23 22 m 4H \| 18 17 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)Cc2cc(C(=O)O)ccc2NC1c1ccccc1NS(=O)(=O)c1ccc(F)cc1	ir: 11 10 38 23 2 16 12 38 15 31 12 19 34 9 21 5 6 3 13 11 11 18 93 7 10 11 16 8 11 8 9 11 23 8 8 16 4 11 20 9 14 7 9 24 11 35 9 12 6 4 7 4 9 12 54 19 8 1 4 5 2 3 4 12 24 15 5 9 4 3 3 4 6 5 13 10 19 9 9 12 36 18 23 23 19 17 2 23 32 2 4 7 14 5 26 13 31 9 5 8 11 5 6 20 8 2 2 1 1 3 6 7 1 5 10 12 47 28 22 7 2 8 10 43 19 9 8 19 5 3 3 6 2 3 2 2 12 14 11 16 8 3 4 10 18 26 49 22 18 20 16 5 11 11 5 8 5 3 2 1 16 2 1 9 26 1 1 1 1 1 1 0 0 1 0 1 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 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 1 1 1 1 1 0 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 3 2 2 2 2 2 3 8 10 8 82 61 68 32 5 3 4 3 4 5 12 100 5 2 1 2 1 2 1 3 2 6 9 11 9 32 97 41 55 60 11 5 4 3 2 2 2 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 1 1 1 0 1 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 0 0 0 0 0 0 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; 1HNMR: 80 80 s 1H \| 79 79 m 2H \| 79 79 dd 1H J 10 19 \| 79 78 dd 1H J 20 86 \| 75 74 dd 1H J 14 82 \| 74 73 m 3H \| 73 72 td 1H J 14 80 \| 70 70 m 2H \| 50 49 m 1H \| 47 46 d 1H J 77 \| 29 29 dd 1H J 10 146 \| 28 27 dd 1H J 7 146 \| 11 11 d 3H J 15 \| 11 10 d 3H J 15	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCN(c2ncnc3ccc(I)cc23)C2C=CC=CC12	ir: 2 4 13 4 3 3 4 6 3 6 4 6 20 13 22 31 6 3 3 19 18 11 11 5 12 8 14 8 3 4 15 32 16 6 3 3 11 7 7 41 14 97 4 3 3 5 3 2 56 18 4 8 7 4 4 6 98 20 8 6 3 5 4 5 4 5 11 10 14 16 7 3 3 3 3 3 3 4 14 6 2 13 28 3 4 6 5 16 5 6 12 18 23 11 16 6 17 19 10 8 11 5 5 3 7 7 4 3 9 12 10 6 13 7 6 6 6 7 15 5 5 11 25 21 26 13 11 44 7 4 3 4 6 33 5 10 13 6 3 88 23 6 9 30 44 9 14 83 17 3 8 6 6 1 24 35 10 100 7 0 2 7 4 1 3 50 3 3 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 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 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 3 3 3 2 2 2 2 2 2 2 3 3 2 3 2 3 3 4 3 4 6 4 4 4 4 4 6 10 5 5 22 26 42 94 53 12 8 7 5 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 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 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 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 84 83 s 1H \| 81 80 t 1H J 14 \| 78 78 d 2H J 13 \| 69 68 m 1H \| 63 61 m 3H \| 44 43 m 1H \| 40 39 ddd 1H J 44 70 136 \| 39 38 ddd 1H J 44 70 136 \| 32 31 ddq 1H J 15 73 102 \| 29 28 ddd 1H J 43 70 139 \| 28 27 ddd 1H J 44 70 139	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nnn(-c2ccccc2F)c1CO	ir: 1 2 2 1 0 2 2 1 1 1 2 1 2 1 2 1 1 3 2 1 0 1 1 1 1 1 1 0 0 1 2 0 1 3 4 1 1 1 3 1 1 5 45 20 6 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 2 3 1 1 1 1 0 1 5 1 1 1 5 5 0 1 1 1 1 2 4 9 8 6 41 55 10 21 39 7 4 3 5 1 1 2 1 0 1 1 1 1 1 1 2 2 1 1 1 0 1 1 1 0 1 2 1 0 2 2 1 2 1 1 1 0 1 5 1 0 1 3 1 0 1 2 8 4 2 1 0 5 37 1 2 1 2 3 7 1 1 1 0 0 1 1 0 0 2 2 1 1 1 1 1 1 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 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 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 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 3 1 0 1 2 1 1 1 3 1 2 2 5 10 8 20 6 3 1 2 3 4 100 19 0 3 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 1 1 1 1 1 1 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; 1HNMR: 77 77 ddd 1H J 20 35 76 \| 74 73 m 2H \| 72 72 ddd 1H J 17 65 102 \| 47 47 d 2H J 62 \| 36 35 t 1H J 62 \| 24 24 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CCC(CC#N)c1ncc(-c2ncnc3[nH]ccc23)s1	ir: 7 9 8 9 6 5 5 3 3 4 5 4 11 7 8 8 8 41 16 27 10 8 14 10 11 72 11 4 8 4 5 2 3 5 6 0 55 3 5 3 7 49 6 13 19 5 4 6 4 2 8 7 17 10 17 6 7 5 6 4 4 5 3 4 6 5 9 3 3 4 3 3 5 6 4 4 13 4 4 5 5 9 28 18 5 5 15 14 5 5 3 4 12 4 5 10 4 3 8 96 6 8 5 16 8 9 4 3 4 4 5 8 6 4 4 4 5 15 5 13 5 4 6 5 5 4 3 4 7 4 3 4 9 28 7 9 9 3 2 3 4 4 4 37 9 11 32 6 5 3 3 5 16 23 53 100 4 8 73 6 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 22 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 4 5 8 6 4 5 4 5 4 6 7 10 23 8 5 8 6 8 15 25 20 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 6 12 11 17 61 6 4 4 3 3 5 3 4 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; 1HNMR: 89 89 s 1H \| 79 79 s 1H \| 74 74 dd 1H J 55 64 \| 71 70 d 1H J 54 \| 37 37 p 1H J 51 \| 31 30 dd 2H J 51 112 \| 28 28 dd 2H J 50 112	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)OC[C@H]1CN(c2ccc(N3Cc4ccccc4C3=O)c(F)c2)C(=O)O1	ir: 15 23 6 11 6 50 19 14 70 21 7 3 3 7 3 3 1 2 1 2 9 11 11 2 5 7 5 13 6 9 5 3 4 4 10 5 4 9 56 77 19 9 5 8 5 5 6 4 3 9 21 5 8 18 18 10 4 30 20 2 4 4 4 12 9 11 10 47 17 42 8 22 17 29 16 35 8 3 5 3 4 8 18 21 5 4 11 20 100 17 11 6 4 3 3 5 5 8 9 16 39 42 19 9 9 5 6 8 9 6 4 2 3 2 2 7 3 3 5 11 5 31 32 5 23 8 6 6 13 7 13 6 2 2 4 7 33 11 38 4 2 2 4 4 10 1 3 7 11 53 67 63 19 61 16 35 10 6 4 5 4 5 5 1 1 3 1 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 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 0 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 2 1 2 2 2 4 6 3 2 2 2 3 3 1 3 2 4 9 8 34 15 24 37 100 45 10 7 5 2 2 2 2 1 2 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 80 m 1H \| 75 75 dd 1H J 47 80 \| 75 73 m 4H \| 73 72 dd 1H J 21 80 \| 50 50 m 3H \| 45 44 dd 1H J 53 126 \| 43 42 dd 1H J 53 126 \| 41 41 dd 1H J 20 123 \| 38 37 dd 1H J 38 122 \| 30 30 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1c(S(=O)c2ccccc2)coc2ccccc12	ir: 1 4 5 5 10 9 4 2 1 4 6 8 1 2 3 1 1 7 3 1 1 2 2 1 1 2 14 2 2 3 4 10 8 6 4 1 1 4 12 11 35 9 6 9 22 3 2 1 2 7 2 0 2 4 2 1 4 5 32 0 2 9 2 1 2 4 4 1 8 4 2 0 5 18 2 1 4 4 1 1 3 17 1 3 4 26 1 1 2 3 0 3 4 43 26 1 5 4 6 3 4 3 2 1 3 2 0 2 4 2 1 12 3 2 0 2 3 2 1 5 5 2 5 13 5 2 1 2 3 2 0 2 3 2 20 8 3 4 2 3 4 10 20 4 3 3 33 8 4 1 1 8 9 1 2 16 2 1 2 7 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 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 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 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 2 2 1 1 2 2 1 2 2 2 1 2 2 2 2 2 2 3 6 10 1 13 100 26 10 5 2 3 5 3 2 3 4 1 1 2 3 1 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 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 1 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3; 1HNMR: 83 83 s 1H \| 81 81 dd 1H J 15 81 \| 77 77 m 1H \| 76 75 m 4H \| 75 74 m 2H \| 74 73 dd 1H J 12 83	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1=C(OS(=O)(=O)C(F)(F)F)C(F)(F)CN(Cc2ccccc2)C1	ir: 11 11 0 7 15 7 10 7 13 23 43 18 8 10 3 3 10 3 1 3 3 2 2 13 4 4 4 4 4 4 9 11 10 7 5 2 5 5 6 16 60 39 5 7 6 1 3 4 3 7 15 22 13 2 2 3 3 5 3 3 2 2 4 8 10 2 5 6 13 8 93 8 6 8 9 10 9 17 15 22 6 4 3 6 36 43 10 15 11 30 8 5 6 4 5 4 34 26 22 8 3 3 2 3 3 9 6 4 2 3 7 11 6 6 9 5 7 4 4 6 7 3 4 3 2 3 5 5 4 4 4 3 3 3 4 10 4 3 3 2 2 5 28 23 3 4 3 4 3 100 2 7 8 5 2 2 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 2 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 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 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 4 4 2 2 3 3 3 3 13 20 9 17 40 11 7 3 3 2 2 3 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 1 2 2 2 1 2 2 2 1 2 2 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 1 2 2 2 1; 1HNMR: 73 72 m 2H \| 73 73 s 4H \| 40 39 q 2H J 71 \| 37 37 s 2H \| 37 36 t 2H J 129 \| 36 35 s 2H \| 12 12 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)/C=C/c1ccc(Cl)cc1Cl	ir: 9 10 15 19 45 6 1 6 9 8 15 23 16 5 2 6 8 7 3 6 7 3 2 6 7 3 2 8 7 3 3 6 6 4 3 7 6 1 13 6 5 2 3 7 6 4 4 7 5 3 5 9 23 13 21 20 7 2 9 10 6 0 11 9 5 2 11 12 18 3 5 7 3 3 5 7 3 3 7 10 14 20 12 7 4 3 6 7 3 3 7 7 20 19 8 8 9 11 16 12 4 4 7 6 2 4 7 6 7 12 8 7 3 5 10 13 4 6 9 8 4 11 7 5 4 6 7 14 9 19 28 18 5 8 9 5 3 6 9 6 65 30 10 6 8 13 26 100 4 23 10 10 12 7 6 3 4 8 6 2 4 7 5 2 5 8 5 2 4 7 4 1 5 7 4 2 5 7 4 2 5 7 4 2 5 6 3 2 5 6 3 3 5 6 3 3 5 6 3 3 6 5 3 3 6 5 3 3 6 5 2 3 6 5 2 4 6 5 2 4 6 4 2 4 6 4 2 4 7 4 2 4 7 4 2 5 6 4 2 5 6 4 2 5 6 3 3 5 6 3 3 5 6 3 3 5 5 3 3 5 5 3 3 6 5 3 4 6 5 3 6 7 7 3 4 6 5 3 5 7 6 7 13 19 52 58 47 75 24 17 9 12 6 4 6 8 5 3 5 7 4 3 5 6 3 3 5 6 3 3 5 6 3 3 5 5 3 3 5 5 3 3 6 5 3 4 6 5 2 4 6 5 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 5 6 4 3 5 6 4 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 4 5 5 3 4 6 5 3 4 6 4 3 4 6 4 2 4 6 4 2; 1HNMR: 78 76 m 4H \| 75 74 dd 1H J 21 85 \| 63 62 d 1H J 156 \| 15 15 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C(=O)[C@H](F)CN(Cc1ccccc1)Cc1ccccc1	ir: 4 9 1 8 3 3 0 2 4 11 5 2 2 1 1 3 3 3 2 3 2 1 6 8 3 5 4 10 2 4 14 5 24 12 3 4 4 2 2 19 51 29 4 4 3 2 5 4 3 2 3 5 2 1 2 5 2 0 3 11 3 1 3 3 2 1 5 4 5 15 4 0 3 3 4 18 12 9 2 5 7 0 2 2 2 1 2 2 1 44 8 37 10 5 1 3 3 9 8 10 3 4 5 5 3 4 7 9 2 2 2 2 1 3 3 3 4 2 5 4 7 9 6 8 5 2 1 2 6 5 9 12 5 5 7 25 11 12 5 5 14 27 50 26 11 9 9 2 1 1 1 7 3 2 1 0 1 1 1 1 0 1 1 0 1 1 0 0 1 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 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 4 2 2 6 6 5 5 10 31 15 18 100 41 14 3 4 1 2 2 3 2 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 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 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 0 0; 1HNMR: 74 72 m 10H \| 49 48 t 0H J 43 \| 48 47 t 0H J 43 \| 38 37 dt 2H J 8 125 \| 37 36 dt 2H J 9 125 \| 33 32 ddd 1H J 43 132 174 \| 30 29 m 1H \| 28 27 heptd 1H J 30 68 \| 12 11 d 3H J 67 \| 11 10 d 3H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1nc(Br)cnc1NS(=O)(=O)Cc1cccc(Cl)c1	ir: 4 5 6 12 10 13 6 4 5 3 6 5 4 9 31 5 5 3 4 3 3 3 3 3 2 3 3 3 3 6 7 3 3 4 3 4 7 4 4 4 11 10 4 3 4 8 6 9 31 14 9 2 10 18 31 46 13 14 6 5 3 2 3 3 3 6 4 9 7 0 19 2 5 5 3 4 4 4 3 3 4 4 2 7 71 68 11 76 4 4 7 13 47 8 4 5 7 5 6 12 15 5 2 3 4 4 0 55 11 7 4 3 3 3 3 3 5 13 100 6 4 3 3 4 4 4 4 7 4 3 26 5 5 3 4 3 3 3 3 4 4 3 3 3 3 3 4 4 5 3 3 6 3 2 8 4 3 3 3 4 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 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 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 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 8 3 3 3 3 3 3 4 7 15 19 26 7 10 4 6 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 9 20 5 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3; 1HNMR: 93 93 s 1H \| 78 78 s 1H \| 74 73 m 3H \| 73 72 m 1H \| 45 45 t 2H J 8 \| 41 41 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C[C@H]1[C@H](CCO)OC(C)(C)N1C(=O)OC(C)(C)C	ir: 1 4 7 3 7 4 9 3 2 9 55 13 7 7 4 4 5 3 6 5 4 1 1 2 4 1 1 1 1 1 1 1 1 1 2 1 0 1 1 1 2 2 1 0 1 1 2 0 0 1 2 2 1 2 1 1 1 1 1 2 3 2 2 4 2 1 1 0 1 1 2 1 1 1 1 1 2 1 1 2 1 1 1 1 1 2 5 5 7 15 16 18 5 12 7 2 2 3 2 2 8 6 3 2 2 3 3 2 3 2 2 2 2 1 1 6 3 4 7 5 5 2 3 1 2 1 2 3 5 15 13 16 4 4 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 2 100 5 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 0 1 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 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 2 1 2 1 1 2 1 2 1 2 4 1 4 9 17 4 2 0 2 2 1 1 4 58 14 10 4 2 2 1 1 1 1 1 1 1 1 1 0 0 1 0 1 0 1 0 1 1 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 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: 40 39 m 2H \| 38 37 dq 1H J 58 116 \| 37 36 dq 1H J 59 116 \| 33 33 t 1H J 58 \| 20 19 m 1H \| 18 17 m 3H \| 16 16 s 3H \| 16 14 m 12H \| 9 9 d 3H J 65 \| 8 8 d 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)c1ccc(-c2cc3ncccc3c(Cl)n2)cc1	ir: 4 3 1 4 6 6 6 9 7 2 2 2 4 3 6 14 6 3 6 7 6 9 3 2 1 3 2 1 2 12 12 2 2 1 5 5 2 8 1 6 44 5 2 0 1 3 2 2 7 31 3 2 4 6 59 100 14 12 8 7 5 4 3 53 3 9 23 40 53 13 11 7 8 9 4 4 9 5 4 2 8 4 3 6 4 5 13 16 5 4 2 4 7 6 7 3 8 5 10 14 4 2 2 2 3 3 2 2 3 2 2 3 2 1 2 4 2 4 4 3 2 2 3 2 4 3 2 3 5 5 8 28 15 6 2 2 2 2 8 35 5 29 13 2 3 2 3 5 13 32 10 34 23 15 17 70 17 8 6 4 2 2 5 16 4 19 52 1 3 2 2 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 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 2 2 3 5 3 2 36 33 30 9 13 7 3 3 3 2 2 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 88 dd 1H J 20 41 \| 83 82 dd 1H J 22 85 \| 82 82 s 1H \| 79 78 m 2H \| 74 74 dd 1H J 42 84 \| 68 67 m 2H \| 29 29 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc(Cc2ccc(CC(N)=O)cc2)nc(C2CCCC2)n1	ir: 1 1 0 1 1 0 1 2 1 1 4 2 2 3 1 3 1 3 5 7 2 4 8 3 4 4 2 3 17 8 4 5 1 1 4 4 11 21 21 3 5 5 1 5 2 2 2 2 2 2 2 1 4 2 2 3 3 10 2 1 1 3 2 1 3 9 10 2 1 2 1 0 2 1 1 1 2 3 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 3 12 2 2 1 1 1 1 1 1 1 0 1 2 4 5 3 5 2 1 1 2 1 2 1 1 5 4 2 1 2 2 1 1 3 1 2 2 1 1 1 1 1 1 1 1 1 1 1 3 32 9 22 5 1 12 10 3 1 4 4 3 2 11 46 100 20 8 3 2 1 1 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 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 1 0 0 1 1 1 1 1 2 3 1 1 2 2 2 2 6 7 2 13 9 6 3 2 1 1 1 0 1 1 1 1 1 0 1 3 4 29 7 9 2 1 1 1 1 0 0 2 4 6 36 38 7 4 3 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; 1HNMR: 73 72 tdd 5H J 10 76 89 \| 69 69 p 1H J 8 \| 59 59 s 2H \| 41 41 q 2H J 8 \| 34 34 t 2H J 8 \| 32 32 p 1H J 45 \| 28 27 qd 2H J 9 72 \| 21 20 m 1H \| 19 17 m 3H \| 17 16 m 2H \| 14 13 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cccc(-c2cc(Nc3cccc(N4CC5CC5C4)n3)c3nccn3n2)c1	ir: 1 2 2 2 1 3 2 2 1 2 3 2 2 8 3 3 4 4 2 7 9 21 19 10 6 2 1 4 3 3 2 4 9 4 4 6 18 4 5 3 3 2 2 1 4 4 31 73 15 0 2 4 2 1 1 3 2 2 3 3 2 1 2 3 3 10 2 2 3 1 3 2 2 2 4 4 9 3 14 9 14 5 2 6 2 2 2 3 3 2 4 2 2 1 3 3 2 2 1 1 1 1 2 2 14 1 2 1 4 2 2 2 2 2 2 3 7 3 4 5 3 4 2 1 3 2 21 5 1 3 6 3 2 2 2 2 1 3 4 7 16 10 8 4 2 3 16 10 1 3 8 2 2 3 2 7 2 5 21 16 7 5 8 2 2 6 6 2 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 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 2 1 1 1 2 2 2 3 2 5 2 6 17 22 5 7 5 9 2 3 3 5 100 3 1 1 2 1 1 1 2 1 2 2 2 2 4 2 15 53 15 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; 1HNMR: 91 90 s 1H \| 84 83 t 1H J 22 \| 81 80 ddd 1H J 12 21 80 \| 80 80 s 1H \| 79 79 d 1H J 48 \| 78 77 ddd 1H J 12 22 75 \| 76 76 dd 1H J 75 82 \| 73 73 dd 1H J 15 79 \| 73 72 dd 1H J 68 79 \| 72 71 d 1H J 46 \| 64 64 dd 1H J 15 68 \| 39 38 m 2H \| 37 36 m 2H \| 17 16 ddtd 2H J 9 19 42 49 \| 11 11 dt 1H J 49 73 \| 9 8 dt 1H J 49 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCC(=O)C(C(=O)OC)C(C)C(C)=O	ir: 12 8 27 13 57 28 11 12 13 9 6 8 22 21 11 11 11 4 4 6 33 7 21 7 7 5 6 14 24 39 33 11 10 15 3 7 6 2 3 6 5 1 3 7 7 4 5 11 8 3 4 8 6 4 5 21 5 1 20 7 5 9 16 9 14 28 11 70 18 5 15 12 15 18 8 16 4 2 27 7 5 1 6 6 2 2 6 6 1 2 7 6 3 4 8 8 13 13 12 9 2 11 15 10 9 24 37 25 11 10 19 41 27 11 15 9 7 12 10 19 7 14 44 31 31 40 19 23 24 38 37 42 27 18 14 7 3 11 8 7 17 81 35 6 36 75 48 25 11 7 5 1 3 6 4 1 2 6 4 1 2 6 4 0 3 6 3 0 3 7 3 0 3 6 3 0 4 6 3 0 4 6 3 0 4 6 2 1 4 5 2 1 4 5 2 1 5 5 2 2 5 5 1 2 5 4 1 2 5 4 1 2 5 4 1 2 5 4 1 3 6 4 0 3 6 3 0 3 6 3 0 3 6 3 0 4 6 3 1 4 6 2 1 4 5 2 1 4 5 2 1 4 5 2 2 5 5 2 2 5 5 2 2 6 5 2 3 6 7 6 9 13 4 2 7 25 9 4 14 25 18 12 18 24 100 20 6 9 7 3 5 8 3 2 4 5 4 1 4 5 3 1 4 5 2 2 4 5 2 2 4 5 2 2 4 4 2 2 5 4 2 2 5 4 1 2 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 6 3 1 3 5 3 1 3 5 3 1 4 5 3 1 4 5 2 1 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1; 1HNMR: 42 42 d 1H J 147 \| 41 40 d 1H J 147 \| 37 36 m 4H \| 35 34 tddd 1H J 15 66 81 95 \| 34 33 s 3H \| 22 21 d 3H J 16 \| 12 11 dd 3H J 15 80	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccnc(-c2cc(Cn3cc(F)c(=O)[nH]c3=O)ccn2)c1	ir: 1 1 2 3 2 2 2 1 1 8 7 3 1 1 6 5 1 1 1 1 0 0 0 0 2 4 1 4 1 0 2 4 3 5 3 1 2 1 2 1 0 0 0 1 1 2 2 1 2 3 1 0 2 4 16 100 12 4 1 2 1 1 2 18 18 4 5 9 5 0 2 1 1 2 17 4 1 1 1 3 1 1 0 1 1 1 1 1 1 0 3 7 4 8 12 4 1 1 0 0 0 1 0 5 2 1 2 1 0 0 0 0 3 2 1 0 1 1 0 1 1 1 1 2 2 1 1 1 6 21 2 2 0 1 1 3 3 2 1 0 0 1 0 0 0 1 4 2 1 1 3 26 5 7 52 4 1 3 2 17 1 3 1 1 24 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 4 1 2 12 8 10 4 2 4 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 12 6 5 5 2 12 8 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 0; 1HNMR: 86 85 d 1H J 44 \| 85 85 d 1H J 47 \| 82 82 d 1H J 24 \| 82 81 dt 1H J 10 21 \| 79 78 dt 1H J 9 77 \| 71 71 m 2H \| 54 53 q 2H J 9 \| 24 24 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1ccc2c(c1)OC1(O)c3cccc(N)c3C(=O)C21NC(=O)c1[nH]nc2ccccc12	ir: 2 6 10 2 2 4 11 4 10 4 5 8 3 12 6 6 5 11 5 11 12 9 11 10 14 23 13 14 17 14 3 3 3 2 3 3 6 13 3 7 3 2 10 20 94 20 8 9 23 21 3 11 5 2 5 2 4 4 2 4 5 2 1 2 1 1 5 3 2 2 2 2 3 5 6 3 1 1 2 2 2 1 4 12 14 11 5 5 26 16 7 3 3 1 4 4 25 40 9 18 13 13 2 2 2 2 2 3 12 2 1 2 8 3 4 4 8 9 3 10 6 2 2 2 4 14 2 2 2 1 2 3 4 8 2 1 1 1 4 4 6 3 17 16 5 39 16 2 7 5 11 8 4 12 12 18 9 3 4 4 29 30 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 1 1 1 2 1 2 2 2 2 2 7 8 19 76 20 10 8 41 32 8 2 2 3 3 2 1 1 2 1 1 3 40 7 2 2 2 1 2 5 9 97 29 9 100 65 31 1 2 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 91 91 s 1H \| 78 78 dd 1H J 15 86 \| 77 77 dd 1H J 14 72 \| 76 76 ddd 1H J 13 70 84 \| 75 75 d 1H J 77 \| 75 74 td 1H J 13 71 \| 74 74 t 1H J 74 \| 74 73 dd 1H J 14 74 \| 70 70 m 1H \| 70 70 dd 1H J 10 20 \| 69 69 dd 1H J 13 73 \| 67 67 s 2H \| 62 62 s 1H \| 30 29 dddd 1H J 9 58 66 133 \| 13 12 dd 7H J 7 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOC(=O)c1cc(C#N)cc(C)c1N	ir: 8 6 8 3 4 3 5 2 5 4 3 8 4 7 6 9 6 11 9 9 20 20 42 11 13 6 6 6 2 3 2 1 2 3 2 2 1 2 5 14 16 17 5 4 3 3 3 2 3 2 4 4 4 3 2 1 2 2 2 2 4 5 2 2 2 4 7 5 4 3 2 2 2 3 1 2 2 2 3 1 5 3 10 12 10 6 4 1 3 2 2 2 2 2 1 2 3 2 1 1 2 1 1 2 4 3 1 1 2 3 4 1 2 2 1 1 2 4 2 6 2 1 1 1 2 1 4 2 2 4 5 3 2 2 1 1 4 2 1 1 1 1 1 1 2 20 12 24 5 22 11 6 5 15 28 45 53 43 51 36 8 31 9 13 2 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 3 2 1 1 1 1 1 1 1 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 2 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 3 2 1 1 1 3 2 4 5 3 15 9 4 4 2 3 2 2 1 1 2 1 1 1 1 1 1 2 3 23 48 28 6 5 1 1 3 3 1 1 6 10 100 93 11 4 3 2 0 1 1 1 1 1 1 1 1 1 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 1 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: 81 81 d 1H J 22 \| 74 74 d 1H J 20 \| 62 62 s 2H \| 45 45 t 2H J 50 \| 38 37 t 2H J 51 \| 34 34 s 3H \| 23 23 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Nc1cc(-n2cc(C(=O)OCC)c(=O)c3cc(F)c(Cl)nc32)c(F)cc1F	ir: 9 4 3 2 1 2 2 3 2 2 2 1 2 2 5 2 20 2 2 1 1 3 4 2 2 2 2 1 4 2 2 2 5 11 8 9 16 20 6 8 2 2 2 0 2 2 3 5 17 85 8 4 2 2 2 1 1 6 2 1 2 4 1 1 6 4 9 19 28 7 4 3 1 2 4 3 5 2 1 1 2 4 1 1 1 1 2 2 2 2 1 4 4 2 1 1 3 4 3 7 5 2 0 1 2 1 2 2 1 1 1 2 2 2 2 2 2 2 5 6 4 4 25 4 5 21 2 3 2 2 6 2 2 1 1 4 6 3 33 3 2 5 2 3 25 55 4 3 100 20 3 4 10 97 8 2 1 3 2 2 12 4 3 2 2 33 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 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 3 7 3 2 27 14 7 7 8 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 3 4 9 14 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 85 s 1H \| 84 83 m 2H \| 76 76 t 1H J 43 \| 70 69 t 1H J 121 \| 43 42 q 2H J 71 \| 42 42 q 2H J 63 \| 13 12 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCS(=O)(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(Cl)cc(OCC)n1	ir: 5 12 5 4 8 8 9 5 23 51 10 16 9 9 4 13 25 9 8 5 4 2 2 2 3 3 3 4 2 6 4 6 8 2 10 18 10 8 8 4 14 17 35 15 10 10 10 10 25 37 52 26 6 28 16 7 6 3 12 6 4 2 3 18 52 11 41 17 4 9 3 2 5 4 3 2 3 3 2 13 3 4 0 3 100 85 27 30 1 0 4 3 0 2 3 2 4 10 21 10 3 3 5 3 1 2 4 4 14 13 10 8 4 4 5 8 4 4 5 8 2 3 2 2 2 6 5 4 11 7 6 33 9 8 5 6 7 8 11 14 12 8 12 14 6 6 6 21 19 67 33 13 4 6 4 10 75 11 3 1 1 2 2 0 1 2 1 0 1 3 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 1 1 1 2 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 2 1 1 1 2 1 1 2 1 1 1 1 2 1 1 2 1 1 1 2 2 1 1 2 2 2 2 6 5 3 2 4 2 1 3 5 16 14 22 35 26 6 3 1 2 2 1 1 2 4 2 2 2 3 4 6 5 5 12 7 5 7 14 8 33 88 59 9 5 2 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 83 s 1H \| 82 82 dd 1H J 15 85 \| 82 81 dd 1H J 15 84 \| 77 77 m 2H \| 77 76 ddd 1H J 14 74 82 \| 61 60 s 1H \| 44 43 q 2H J 67 \| 33 33 t 2H J 82 \| 18 17 h 2H J 85 \| 14 14 t 3H J 68 \| 10 9 t 3H J 86	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2c(O)c(CC[C@@H](O)c3cccs3)c(C(=O)N(C)C)cc2n1C	ir: 1 4 5 3 1 4 10 10 1 5 4 7 18 8 6 7 11 5 6 8 6 16 11 4 2 4 4 4 3 4 5 3 7 3 4 8 4 4 6 12 17 6 5 7 5 3 3 1 2 3 2 1 2 3 2 0 2 3 2 2 4 3 2 1 4 11 5 4 6 5 3 4 9 4 2 1 2 3 3 3 3 3 2 2 3 3 2 6 22 34 4 2 4 2 4 4 2 3 12 21 21 9 0 3 4 3 1 3 3 3 1 2 5 3 6 7 5 3 1 3 5 4 7 4 5 4 3 6 7 5 6 7 6 2 2 6 4 7 3 4 2 2 1 2 5 4 5 11 6 2 2 3 4 4 2 3 2 1 1 3 2 1 2 3 2 0 1 3 2 0 1 3 1 0 2 3 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 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 3 2 1 1 3 2 1 2 3 2 2 2 3 2 3 6 4 5 7 7 3 14 28 7 6 4 100 7 4 1 0 2 3 1 1 2 3 1 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 1 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 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2; 1HNMR: 76 76 s 1H \| 74 74 dd 1H J 18 53 \| 74 74 s 1H \| 71 71 m 1H \| 71 70 dd 1H J 53 66 \| 50 49 m 1H \| 38 37 s 3H \| 35 34 m 2H \| 34 33 dt 1H J 88 163 \| 29 29 s 5H \| 25 25 s 3H \| 23 22 dtd 1H J 57 86 134 \| 21 20 dtd 1H J 59 87 135	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1cc2c(c(C(C)(C)C)c1)OCCC2	ir: 6 3 1 3 5 3 0 3 6 5 1 4 5 5 3 4 8 2 3 5 4 2 7 17 7 1 2 5 13 17 33 9 4 2 3 6 5 3 24 37 6 3 3 4 3 2 3 5 2 1 2 5 5 1 2 6 3 0 2 4 3 6 6 11 7 34 51 16 20 8 7 8 4 2 5 4 2 2 4 7 2 1 3 3 2 1 3 3 1 4 6 7 2 2 4 6 7 4 6 4 1 4 9 19 10 8 6 5 3 11 23 11 4 4 6 5 5 11 9 9 7 14 14 13 18 30 34 14 4 9 11 23 17 10 6 4 3 7 6 23 58 20 10 15 100 24 8 2 6 12 5 1 1 4 3 0 1 4 3 4 2 4 2 0 2 7 4 1 2 4 2 0 2 5 2 0 3 4 2 0 2 4 2 1 3 4 1 0 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 0 2 3 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 3 4 4 6 4 7 4 4 6 7 6 4 5 7 7 6 8 19 41 19 17 41 88 2 4 6 3 1 3 4 2 0 3 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 2 0 2 4 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 79 79 d 1H J 22 \| 77 76 dt 1H J 9 20 \| 42 41 m 2H \| 29 28 m 2H \| 26 26 s 3H \| 20 19 m 2H \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc2c(c(=O)[nH]1)-c1cc(S(=O)(=O)Cl)c(Br)cc1CC2	ir: 3 4 3 2 1 4 8 6 10 4 6 2 4 5 4 5 4 14 12 5 6 7 11 7 8 4 6 2 10 8 3 3 2 5 5 10 10 6 19 8 4 5 3 2 4 7 21 18 7 6 2 2 3 7 2 1 2 5 3 5 4 8 5 4 14 5 2 2 9 11 8 3 7 4 3 3 6 8 1 0 2 3 2 26 1 2 2 1 3 2 1 2 4 4 12 2 2 2 2 3 6 2 1 2 3 3 2 2 4 1 1 5 3 2 0 2 3 2 1 4 3 1 0 1 3 1 0 2 5 2 1 2 2 2 1 2 3 2 2 6 5 3 3 9 13 46 5 22 37 4 2 5 92 14 5 8 5 1 2 7 18 57 5 1 3 17 2 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 1 1 1 1 1 1 1 1 2 1 2 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 3 2 2 1 1 2 2 1 3 2 9 5 24 7 2 1 2 2 2 2 2 2 3 1 4 3 4 4 4 6 22 6 3 4 13 19 4 8 6 6 22 62 100 11 11 4 2 3 3 2 1 2 2 2 2 2 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 1 1 1 1 1 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 1 1 0 1 2; 1HNMR: 83 82 s 1H \| 76 75 t 1H J 9 \| 63 63 s 2H \| 37 36 m 2H \| 31 30 ddd 2H J 9 55 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)/C(=C/c1sc(C)nc1C)NC(=O)c1ccc(C(O)/C=C/c2cccc(O)c2)cc1Cl	ir: 5 4 2 2 4 5 1 2 5 5 5 3 4 1 3 4 3 3 4 3 6 3 11 6 8 2 4 4 2 6 5 5 5 4 3 4 1 3 4 3 7 3 3 1 2 3 8 14 11 4 7 8 5 7 8 4 8 5 4 3 5 8 4 1 5 6 19 21 16 5 5 2 8 10 8 21 10 22 12 11 5 12 13 11 19 11 16 26 19 22 17 3 6 4 1 5 5 7 0 1 4 7 1 2 5 13 12 6 1 6 2 2 13 6 9 6 9 10 9 10 5 6 5 6 4 6 1 10 10 8 21 14 12 6 19 7 7 3 6 14 11 16 14 7 5 2 3 4 4 4 1 5 10 9 13 6 7 2 12 5 3 1 1 2 11 0 1 2 1 0 2 3 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 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 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 2 3 8 4 3 2 2 2 3 5 5 6 8 9 15 28 40 28 28 100 25 10 4 20 4 15 8 46 8 3 2 1 1 2 1 1 2 2 2 3 2 3 4 17 21 13 3 1 2 2 1 1 2 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 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; 1HNMR: 87 86 s 1H \| 80 80 s 1H \| 79 78 d 1H J 89 \| 75 75 dd 1H J 7 21 \| 73 72 m 2H \| 71 71 ddt 1H J 9 20 79 \| 69 68 t 1H J 22 \| 68 67 ddd 1H J 12 22 80 \| 66 66 s 1H \| 66 65 dt 1H J 9 165 \| 64 63 dd 1H J 69 166 \| 56 55 m 1H \| 38 38 s 3H \| 27 26 s 3H \| 25 25 d 1H J 51 \| 25 25 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CC1CCCCN1C(=O)c1nc(C)sc1-c1ccccc1	ir: 35 15 1 22 27 14 1 21 27 12 2 16 26 20 18 18 25 33 2 20 26 31 35 25 28 44 14 19 19 12 28 51 66 45 9 21 23 14 15 21 49 42 29 24 55 28 14 26 15 17 15 38 28 4 19 31 34 8 19 29 14 24 24 34 25 0 16 35 21 38 22 50 30 13 19 42 30 20 27 25 11 9 40 37 13 30 40 21 8 10 20 18 15 38 23 28 25 13 23 20 5 11 26 25 8 18 22 50 32 25 33 17 4 17 29 17 5 15 27 21 15 29 33 22 13 18 26 19 8 25 22 12 9 19 23 37 24 28 22 8 10 21 36 48 84 35 33 5 80 30 15 21 24 21 15 8 11 19 15 6 11 22 14 5 11 21 13 4 12 22 13 3 13 22 12 4 15 22 11 4 14 20 11 5 15 20 10 6 15 19 10 6 16 18 9 7 17 17 8 8 17 18 8 8 18 17 7 9 19 16 6 10 19 15 5 10 20 14 5 11 20 14 4 12 21 13 4 13 21 12 4 13 21 12 4 14 20 11 5 14 19 11 6 15 19 10 6 16 18 9 7 16 17 9 8 16 17 8 9 17 16 8 9 18 15 7 10 19 16 7 11 20 17 10 14 21 22 9 14 25 18 10 19 30 37 45 38 100 71 37 20 24 14 5 17 22 14 6 15 18 11 6 16 27 15 7 15 17 9 8 16 17 9 8 17 16 8 9 17 16 8 10 17 15 7 10 18 14 7 11 19 14 6 11 19 13 5 12 19 13 5 12 20 12 5 13 19 12 6 13 19 11 6 14 18 11 7 14 18 10 8 15 17 10 8 15 16 9 9 16 16 9 9 16 15 8 10 17 15 8 10 17 14 7 11 18 14 7 11 18 14 7 12 18 13 6 12 19 12 6; 1HNMR: 77 77 m 2H \| 75 74 m 3H \| 46 45 td 1H J 30 51 \| 40 39 m 1H \| 38 37 m 1H \| 29 29 s 3H \| 23 23 d 1H J 31 \| 20 20 m 1H \| 19 16 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1ccc(C(=O)CBr)c(=O)[nH]1	ir: 3 2 1 2 3 2 2 5 4 2 1 2 3 2 2 7 6 2 3 3 6 11 7 13 28 5 1 3 4 5 3 4 2 1 2 3 3 1 1 2 2 1 2 3 6 4 2 4 10 12 11 9 37 100 28 9 4 0 3 3 12 5 9 12 4 2 2 3 6 1 2 3 1 1 2 3 1 1 2 3 6 1 2 3 1 3 3 4 4 2 3 3 1 1 3 3 2 2 5 3 0 1 3 2 1 2 8 9 1 2 4 14 23 3 3 2 1 3 5 4 9 6 5 4 2 3 4 3 4 25 11 7 6 5 4 3 1 3 3 1 1 3 3 1 1 13 43 8 2 4 4 6 46 23 3 3 59 65 13 6 4 4 8 79 7 2 2 1 2 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 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 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 2 2 2 1 2 2 2 2 2 3 2 2 3 6 4 2 2 3 3 3 5 7 16 4 4 6 11 19 12 4 3 2 2 2 2 1 2 2 1 2 2 2 2 2 2 7 7 12 4 27 27 29 10 4 3 2 3 6 2 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 96 96 s 1H \| 79 79 d 1H J 81 \| 68 67 d 1H J 81 \| 43 43 s 2H \| 12 12 s 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C/C=C/c1cc(OC)c2c(c1)[C@@H](C)[C@H](c1ccc(OCCN(C)C)c(OC)c1)O2	ir: 5 5 6 4 5 9 16 5 2 12 7 9 8 4 2 2 2 3 8 5 5 4 13 3 8 16 6 3 5 3 1 4 1 1 3 6 4 30 12 5 8 3 3 8 12 4 4 3 6 11 4 8 8 22 56 8 9 7 7 9 3 12 26 100 15 20 57 85 57 42 33 39 14 14 23 24 26 45 17 4 17 8 6 5 8 9 23 75 40 16 48 60 59 22 41 87 17 17 14 12 4 5 13 10 8 7 2 6 4 2 3 10 16 4 7 6 10 8 10 13 11 9 37 59 15 15 24 6 2 1 11 12 15 12 3 5 3 12 10 2 2 3 10 32 4 1 1 3 7 19 24 9 10 10 15 13 8 4 2 2 1 2 8 4 2 21 4 2 1 0 1 2 1 0 1 2 1 1 1 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 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 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 2 3 5 2 4 2 4 5 5 4 12 7 11 15 17 32 67 49 85 75 87 25 13 2 4 6 2 1 4 3 2 0 2 2 1 1 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 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 1 1 1 0 1 1; 1HNMR: 70 70 m 1H \| 70 70 m 1H \| 70 69 d 1H J 81 \| 68 68 s 2H \| 64 63 dq 1H J 13 158 \| 61 60 dq 1H J 65 158 \| 51 51 m 1H \| 42 41 t 2H J 66 \| 39 38 d 6H J 35 \| 35 34 pd 1H J 7 70 \| 31 30 t 2H J 66 \| 25 25 s 5H \| 19 18 dd 3H J 13 64 \| 14 14 d 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(C2(/C=C/C(O)CC(O)CC(=O)O)CCN(c3ccccc3OC)CC2)c1	ir: 5 5 4 2 10 3 6 7 8 7 7 11 3 9 5 11 6 4 17 10 36 28 15 12 8 3 2 2 3 5 2 7 3 0 1 3 3 2 2 3 2 3 20 16 5 7 10 7 9 2 1 2 3 1 1 1 2 1 2 2 3 1 7 13 3 2 5 5 4 3 6 6 3 4 4 9 9 22 12 41 21 18 9 4 9 7 8 30 12 14 25 37 24 10 7 3 2 6 7 3 3 4 3 1 1 1 2 2 2 3 3 3 1 2 2 3 1 2 2 2 2 2 3 3 2 3 3 2 1 2 7 11 2 12 4 8 10 8 6 3 6 6 10 52 23 13 2 3 17 4 1 1 1 2 1 1 6 8 1 0 1 3 2 1 2 1 1 0 0 1 0 0 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 1 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 1 0 1 1 2 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 2 2 2 1 2 3 4 1 7 10 10 4 12 8 25 10 6 8 4 3 42 68 87 100 9 2 1 2 1 1 1 1 0 0 0 0 1 1 1 1 1 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 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; 1HNMR: 72 72 t 1H J 76 \| 71 70 ddd 1H J 11 21 77 \| 70 68 m 7H \| 61 60 dp 1H J 9 172 \| 58 57 ddt 1H J 9 66 172 \| 49 48 d 1H J 51 \| 43 42 m 2H \| 39 38 s 2H \| 38 38 s 2H \| 37 36 m 3H \| 34 33 ddd 2H J 37 64 125 \| 27 26 dd 1H J 75 167 \| 24 23 dd 1H J 75 167 \| 23 22 dddd 2H J 9 36 64 125 \| 21 19 m 3H \| 17 17 dddd 1H J 9 77 85 136	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCN1CCc2ccc([N+](=O)[O-])cc2CC1	ir: 0 6 10 7 9 17 15 13 10 13 11 7 3 9 10 23 11 9 9 5 5 10 10 9 6 8 8 5 3 7 7 5 6 11 9 4 5 9 8 5 10 11 6 2 5 9 11 11 6 10 7 3 9 25 23 11 16 11 6 3 15 16 8 3 7 9 8 11 19 38 24 6 9 15 5 3 7 12 11 11 11 10 6 4 7 9 10 18 23 39 38 17 27 13 9 29 30 15 6 9 14 16 13 13 10 8 5 5 12 10 5 7 15 8 5 9 18 9 9 9 17 16 21 38 51 14 5 9 12 8 6 10 12 6 9 10 13 6 3 8 8 4 9 22 10 3 3 9 8 15 30 10 28 34 21 13 8 5 12 10 14 4 7 10 6 2 5 8 5 1 5 9 5 2 5 9 5 2 5 8 4 2 6 8 4 2 6 8 4 3 6 7 4 3 6 7 3 3 7 7 3 3 7 6 3 4 7 6 3 4 7 6 3 4 8 6 2 4 8 5 2 5 8 5 2 5 8 5 2 5 8 5 2 5 8 5 2 5 8 4 2 6 7 4 3 6 7 4 3 6 7 4 3 6 7 3 3 6 7 3 4 7 6 3 4 7 6 3 5 7 6 3 6 11 8 7 9 9 7 7 7 13 14 19 37 47 85 100 34 11 8 16 7 11 5 3 6 8 5 3 6 7 4 3 6 7 4 3 6 7 4 3 6 6 3 4 6 6 3 4 7 6 3 4 7 6 3 4 7 6 3 4 7 5 3 5 7 5 2 5 8 5 2 5 7 5 2 5 7 5 3 5 7 4 3 5 7 4 3 6 7 4 3 6 6 4 3 6 6 4 4 6 6 3 4 6 6 3 4 6 6 3 4 7 6 3 4 7 5 3 4 7 5 3 5 7 5 3 5 7; 1HNMR: 81 80 dd 1H J 22 84 \| 80 79 dt 1H J 9 19 \| 73 73 dt 1H J 8 83 \| 29 29 tt 2H J 9 64 \| 28 27 m 6H \| 26 25 t 2H J 63 \| 16 15 qt 2H J 63 79 \| 9 9 t 3H J 79	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(O)=CC=C(SC)C(=O)c1ccc(N2CCCCC2)cc1	ir: 0 1 3 4 3 2 2 1 1 2 2 5 23 8 30 19 1 3 2 4 1 2 4 1 0 2 2 0 1 2 1 0 3 2 2 0 1 1 1 0 4 16 4 2 1 2 1 0 1 2 3 1 1 3 5 1 3 11 4 1 3 2 2 0 1 1 1 9 6 5 3 2 5 2 1 1 3 2 0 1 1 1 2 3 7 1 1 1 1 3 1 3 1 15 26 2 27 49 8 5 5 1 0 1 1 1 0 1 2 6 3 2 12 2 1 3 3 3 0 3 4 3 3 14 8 1 2 2 5 1 1 1 1 1 0 1 1 1 0 2 2 21 5 10 6 4 2 1 1 0 12 12 4 2 1 1 1 1 1 1 1 0 0 2 1 0 0 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 1 0 0 1 0 0 1 1 1 0 1 1 1 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 1 1 1 0 0 1 2 2 1 1 1 1 1 2 2 5 13 14 8 11 3 2 2 3 2 3 56 100 6 4 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 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 0 0 0 1 0 0 0 1; 1HNMR: 98 98 s 1H \| 80 80 m 2H \| 79 79 d 1H J 88 \| 72 71 d 1H J 88 \| 70 69 m 2H \| 43 42 q 2H J 71 \| 34 34 m 4H \| 24 23 s 2H \| 17 16 m 1H \| 17 16 s 1H \| 17 16 m 3H \| 16 16 m 2H \| 13 12 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(C1CCNC1)N1CCCC1	ir: 4 1 1 2 2 4 0 2 4 1 1 3 3 2 4 6 12 14 2 3 7 2 1 4 5 3 5 6 10 8 30 17 27 19 13 14 7 19 17 12 22 23 17 9 8 6 11 12 4 3 19 8 3 4 6 9 10 1 8 13 13 9 6 10 6 2 16 12 13 7 9 9 7 4 6 4 2 3 3 3 1 0 3 3 1 1 3 5 1 5 6 11 7 6 4 4 1 2 4 5 3 3 6 7 5 8 9 13 21 39 41 57 42 97 49 32 26 10 9 5 5 9 9 11 11 12 7 4 4 4 5 3 3 8 8 6 15 27 11 4 3 4 5 1 2 8 85 88 13 7 3 2 2 2 2 1 1 3 2 1 1 3 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 0 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 2 1 1 2 1 0 1 2 1 0 1 3 1 0 2 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 2 2 3 3 3 2 4 9 9 3 5 7 5 3 6 19 16 5 3 3 2 1 2 3 1 0 2 2 1 1 2 2 2 2 3 9 18 26 90 100 9 10 5 3 2 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 0 1 2 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 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 35 34 dddd 4H J 45 119 141 164 \| 32 31 dt 1H J 38 124 \| 31 30 m 1H \| 30 28 m 2H \| 28 27 tt 1H J 31 42 \| 26 25 tt 1H J 35 55 \| 22 21 dddd 1H J 24 41 51 123 \| 19 18 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(-c2ncn(-c3ccc(OC(F)(F)C(F)(F)F)cc3)n2)cc1	ir: 9 3 5 4 5 4 3 10 5 4 5 4 4 5 12 22 21 10 3 4 2 2 2 2 3 3 2 3 4 2 2 3 2 4 1 1 1 2 2 1 2 4 5 1 1 2 3 1 12 0 2 2 2 11 31 19 16 2 5 5 2 9 4 4 6 10 3 1 3 11 13 1 1 2 2 3 2 2 1 2 2 2 1 1 2 3 3 4 10 26 8 42 15 10 8 3 2 2 1 3 3 2 1 1 3 2 1 1 2 2 2 2 3 3 4 17 9 5 6 3 3 3 2 3 22 4 2 2 7 6 3 2 2 1 1 1 1 2 2 6 3 2 4 30 45 4 3 34 7 3 3 15 28 4 3 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 2 1 1 1 2 1 1 1 2 1 2 2 2 2 5 11 25 100 29 15 10 8 2 2 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 m 2H \| 81 80 m 2H \| 77 76 m 2H \| 73 73 m 2H \| 39 39 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCCc1ccc2cnn(-c3ccc(F)cc3)c2c1	ir: 2 3 4 2 5 5 12 2 1 4 29 4 9 4 3 3 5 45 3 7 3 5 2 2 9 9 4 1 2 2 2 1 1 2 5 1 1 4 2 8 6 3 2 2 3 2 2 3 3 2 5 6 55 9 13 93 31 8 4 1 3 3 3 3 5 6 10 2 8 7 3 2 2 11 18 1 2 3 1 1 2 2 1 1 3 4 5 3 3 3 1 15 5 9 4 3 3 4 0 37 21 19 2 2 3 2 1 4 30 4 2 4 8 9 8 7 10 4 4 3 6 45 13 6 16 4 100 5 6 5 1 3 10 46 6 3 2 2 1 3 4 4 9 11 62 4 4 4 3 18 6 7 9 5 10 11 2 1 1 2 1 0 1 17 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 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 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 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 1 4 2 2 2 6 3 4 4 3 2 2 3 6 14 21 18 52 47 28 32 11 2 4 5 4 3 2 3 2 0 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 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 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 2 1 1 1 2 1 1 1 2; 1HNMR: 83 83 d 1H J 18 \| 79 78 dd 1H J 20 82 \| 77 76 m 2H \| 74 73 m 3H \| 72 71 m 1H \| 42 41 q 2H J 66 \| 27 26 tt 2H J 10 83 \| 24 23 t 2H J 86 \| 20 19 p 2H J 84 \| 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.
COc1ccc(CN(c2nccs2)S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(OC)c1	ir: 7 7 11 4 4 7 22 7 4 15 30 16 15 27 12 12 10 11 11 10 4 18 5 9 13 4 8 22 3 2 3 3 8 21 12 16 14 8 12 4 2 1 2 3 18 11 3 3 2 3 9 9 4 12 16 8 9 2 2 1 10 1 3 15 11 5 18 12 7 9 12 1 3 3 5 2 1 2 2 2 1 0 15 8 1 2 7 75 24 28 18 28 12 9 2 2 3 4 6 31 10 4 6 8 9 4 1 1 2 1 0 1 4 11 2 2 2 3 6 8 7 18 35 32 7 7 6 24 10 3 24 3 2 2 2 1 1 1 1 1 1 1 2 1 1 3 2 6 2 2 6 26 6 9 5 8 2 2 1 0 1 3 2 25 2 1 1 1 1 1 1 1 1 0 1 0 1 1 1 0 0 0 0 0 1 0 0 0 0 1 1 1 0 1 1 0 0 0 0 0 1 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 0 0 0 0 0 0 1 0 1 0 0 0 0 0 1 1 0 0 1 0 0 1 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 6 1 1 2 4 2 3 2 2 2 2 4 4 6 18 13 11 100 58 40 9 4 2 0 1 2 1 0 1 1 1 0 1 1 3 1 1 2 2 4 5 9 18 6 1 2 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 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 0 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 1 0 0; 1HNMR: 94 94 s 1H \| 78 77 d 1H J 96 \| 76 76 d 1H J 21 \| 76 75 dd 1H J 22 95 \| 73 72 d 1H J 49 \| 72 71 dt 1H J 9 87 \| 67 67 d 1H J 49 \| 66 65 dd 1H J 24 86 \| 65 64 d 1H J 22 \| 51 51 d 2H J 7 \| 38 38 d 6H J 40	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc(N)c2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)cccc2n1	ir: 8 8 9 14 7 5 9 4 6 9 6 6 9 9 6 7 8 5 6 4 4 4 9 5 6 5 6 5 7 7 3 6 7 8 4 4 3 5 3 4 4 4 4 9 9 5 3 4 4 3 3 9 3 4 9 6 16 13 12 29 28 11 7 7 6 10 9 8 22 9 7 6 3 5 4 2 4 6 4 11 6 7 5 5 13 11 5 4 4 4 3 2 3 3 2 3 5 6 7 6 6 5 3 3 3 3 3 3 3 3 3 3 2 3 4 4 5 4 6 4 4 3 4 4 5 4 3 3 4 6 5 4 5 4 4 6 4 4 4 3 4 7 23 11 58 32 25 8 8 4 24 17 15 30 6 7 4 2 3 2 7 17 9 75 6 0 3 4 2 1 2 3 2 1 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 3 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 3 2 2 2 3 2 2 2 3 2 2 3 3 3 3 3 2 3 3 3 3 4 4 6 4 7 14 9 6 5 4 3 2 3 5 3 3 4 3 3 2 5 4 4 46 30 9 6 4 4 4 2 2 6 5 3 17 98 100 14 7 0 2 4 3 1 2 4 3 1 2 4 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 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 2 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 77 77 dd 1H J 12 76 \| 76 75 t 1H J 77 \| 69 69 s 2H \| 68 68 dd 1H J 9 15 \| 68 67 m 3H \| 64 64 s 2H \| 59 59 s 2H \| 35 35 t 2H J 9 \| 34 33 m 4H \| 31 31 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CN(C(=O)c2cc(Cl)ccn2)c2ccc(F)cc21	ir: 1 5 4 5 2 4 6 10 27 9 10 9 3 4 4 3 3 3 4 2 1 3 4 5 1 3 3 2 3 5 19 28 30 7 4 2 4 9 6 12 3 22 15 2 4 5 4 2 6 5 4 9 32 45 15 12 16 7 3 4 5 4 4 1 11 21 14 13 18 7 2 1 5 9 5 3 6 18 16 9 6 5 1 2 5 4 1 3 6 8 19 6 6 21 9 20 11 4 3 2 3 14 12 2 4 4 0 2 4 2 0 2 5 3 0 2 5 5 3 19 25 3 1 3 6 4 1 7 6 11 34 47 4 3 3 6 5 2 1 3 4 2 1 15 19 15 16 3 4 5 25 18 6 22 14 7 4 1 3 8 34 1 5 6 3 0 2 5 2 0 2 4 2 0 2 4 2 1 3 4 2 0 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 2 2 4 3 3 3 4 3 2 2 4 4 9 16 16 27 100 69 11 8 2 5 5 2 2 3 3 2 2 3 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 87 87 d 1H J 36 \| 78 77 d 1H J 22 \| 73 72 m 2H \| 70 69 m 2H \| 42 42 s 2H \| 14 14 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Oc1ccc(-c2nc(-c3cccc4c(C(=O)NCC(=O)O)c[nH]c34)no2)cc1Cl	ir: 0 2 2 3 3 8 5 7 12 7 9 3 7 8 3 5 10 10 4 5 32 63 62 22 44 30 39 81 51 24 8 5 4 9 10 59 58 45 22 4 7 40 9 1 2 4 8 3 36 33 8 12 3 6 11 46 6 3 4 4 7 1 1 1 2 2 4 11 12 3 3 2 2 4 6 6 3 13 16 24 9 21 10 3 5 4 4 5 2 2 2 2 9 6 3 3 3 11 9 18 32 6 1 2 2 2 3 11 7 5 1 2 2 3 2 6 4 10 21 8 5 6 29 54 100 87 17 14 14 12 7 4 7 1 2 2 4 8 5 5 5 10 30 47 61 19 11 4 3 24 5 2 5 45 35 6 18 1 2 7 4 3 4 3 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 0 1 1 1 0 1 1 0 1 2 1 0 1 1 1 0 0 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 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 2 1 0 1 2 1 1 1 2 3 1 1 2 2 9 3 4 3 2 2 7 6 8 19 17 33 67 51 20 14 14 8 3 2 4 22 12 8 3 1 1 2 2 2 2 3 3 3 4 4 5 17 55 32 82 7 7 2 3 3 2 2 1 2 1 1 1 2 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 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 83 83 m 2H \| 82 81 d 1H J 71 \| 80 80 m 1H \| 80 79 d 1H J 21 \| 78 78 dd 1H J 22 90 \| 77 76 dd 1H J 77 93 \| 72 71 d 1H J 88 \| 47 45 hept 1H J 55 \| 38 38 d 2H J 66 \| 14 13 d 6H J 57	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOC(=O)C1CCC(O)(c2nccs2)CC1	ir: 4 4 2 5 5 8 7 2 4 3 2 2 1 0 1 1 2 1 1 1 0 2 4 7 7 4 6 2 4 1 1 4 5 15 2 0 2 4 6 6 12 12 5 4 9 21 6 16 11 10 11 28 2 3 6 3 6 7 4 1 4 4 6 3 3 5 2 3 4 4 4 2 6 27 23 5 3 3 6 5 11 5 6 2 4 9 8 34 21 3 7 4 3 2 3 10 10 16 8 4 18 6 8 29 15 16 6 15 24 59 7 21 20 37 26 23 16 28 14 52 5 11 22 20 7 11 15 7 12 25 23 5 5 4 5 2 1 2 5 2 3 4 12 5 10 5 6 2 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 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 1 1 1 1 0 1 1 1 0 1 1 3 1 12 3 7 8 10 25 16 6 12 20 8 10 16 68 100 23 4 11 13 21 8 1 2 3 9 25 22 2 1 0 1 1 1 1 1 1 0 0 0 0 0 1 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 d 1H J 33 \| 73 73 d 1H J 33 \| 42 42 s 1H \| 41 41 t 2H J 68 \| 25 24 p 1H J 65 \| 24 23 ddd 2H J 61 86 149 \| 22 21 m 4H \| 20 18 ddt 2H J 63 86 134 \| 17 16 p 2H J 70 \| 14 13 h 2H J 71 \| 10 9 t 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(O)C(C(=O)O)c1ccc(F)cc1	ir: 1 2 3 3 1 1 1 1 1 3 1 1 1 1 1 2 5 1 2 1 1 3 4 21 21 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 8 2 1 3 7 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 4 6 2 1 11 5 2 1 1 2 1 1 1 1 1 1 2 3 3 3 2 1 1 1 1 2 1 1 2 4 4 1 1 1 1 1 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 3 6 2 3 7 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 2 12 3 1 1 3 1 27 10 4 0 100 11 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 100 100 s 1H \| 73 72 m 2H \| 71 70 m 2H \| 43 43 s 1H \| 41 41 ddt 1H J 12 22 32 \| 14 14 d 3H J 14 \| 14 13 d 3H J 14	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CC#Cc1nc2c([nH]c(=O)c3ccccc32)s1	ir: 10 7 8 10 1 1 1 1 2 2 2 2 1 1 2 2 3 1 1 1 5 23 9 6 1 7 3 2 2 2 2 1 2 1 2 4 2 3 2 2 9 12 11 100 3 9 6 5 54 7 2 2 2 1 1 1 2 1 1 1 2 4 3 2 6 6 1 4 6 3 1 1 1 1 2 3 1 3 2 1 7 4 2 1 6 7 5 7 3 4 5 3 13 19 1 2 5 14 4 7 2 2 1 3 12 2 2 3 12 2 1 1 1 1 0 1 2 1 2 4 28 12 9 2 1 3 7 2 8 25 15 36 33 4 4 22 1 1 2 1 1 1 4 3 4 14 20 2 2 12 8 2 1 1 1 2 1 1 1 4 32 26 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 0 7 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 2 3 10 15 21 23 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 5 37 8 16 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 1 1 1 1 1 1; 1HNMR: 82 82 dd 1H J 14 88 \| 81 81 dd 1H J 16 79 \| 76 75 td 1H J 13 77 \| 75 74 ddd 1H J 15 76 91 \| 37 37 s 2H \| 24 24 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(C(F)(F)F)cc(=O)n(-c2cc(Oc3ccccc3O)c(Cl)cc2F)c1=O	ir: 30 30 30 31 51 37 38 36 32 30 34 30 30 29 30 31 29 29 30 29 29 29 29 30 29 29 29 29 29 29 29 29 29 29 30 29 30 29 31 29 29 33 42 30 39 34 30 28 29 32 30 40 31 33 30 30 29 29 29 29 29 29 29 29 29 29 31 47 59 35 29 30 30 29 29 29 32 56 32 32 30 29 30 30 29 33 36 33 30 29 30 30 30 31 30 30 28 38 31 32 32 37 34 30 28 29 29 29 28 29 29 29 29 32 32 33 38 34 30 30 28 29 29 29 28 29 29 29 29 29 30 29 29 29 30 31 30 34 31 30 33 38 34 35 29 30 29 28 29 33 31 29 47 33 32 0 37 25 28 31 29 35 30 76 31 27 29 30 29 28 29 30 29 28 29 29 29 28 29 29 29 28 29 29 29 28 29 29 29 28 29 29 29 28 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 30 30 30 31 74 36 47 31 29 29 30 31 100 39 31 29 28 29 29 29 28 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29; 1HNMR: 73 73 d 1H J 121 \| 73 72 d 1H J 43 \| 70 69 m 2H \| 69 68 m 2H \| 63 63 s 1H \| 63 62 q 1H J 13 \| 34 33 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(SC[C@@H](O)c2ccccc2)cc1Cl	ir: 7 5 7 6 4 6 4 7 5 4 6 8 5 13 7 9 9 14 13 4 4 7 4 3 3 4 4 3 4 6 25 9 5 5 5 4 4 5 6 5 55 16 5 5 4 4 4 4 4 5 6 4 3 5 8 19 5 4 4 4 4 8 5 4 15 5 7 10 7 7 6 3 4 4 11 4 4 4 6 5 4 5 4 5 12 21 30 17 24 53 43 10 7 4 4 4 5 6 4 3 4 6 5 5 10 19 8 5 4 4 4 4 4 4 6 5 10 11 21 14 10 7 14 18 5 6 6 9 7 4 4 3 3 4 11 11 6 4 4 4 4 6 6 17 13 6 12 9 5 7 18 7 29 5 4 4 4 3 4 4 6 3 4 4 4 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 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 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 4 3 3 3 4 4 4 7 5 4 4 5 6 5 4 4 6 5 3 5 5 5 4 6 8 19 10 21 100 16 11 6 9 7 0 16 71 78 23 3 2 6 7 3 1 4 5 3 2 4 4 3 2 4 4 3 3 4 4 3 3 6 5 3 4 5 5 4 4 5 3 3 3 4 3 3 3 4 3 2 3 4 3 2 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; 1HNMR: 79 78 d 1H J 77 \| 74 73 m 8H \| 50 49 q 1H J 51 \| 39 39 s 2H \| 35 34 d 1H J 49 \| 34 33 dd 1H J 51 145 \| 31 31 dd 1H J 51 145	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCCN1CCCc2ccccc21	ir: 10 9 8 8 11 7 3 4 6 3 4 7 3 6 2 2 2 1 0 1 2 1 2 4 6 4 2 2 2 1 0 1 1 0 0 2 2 0 1 3 3 3 22 23 3 5 4 3 2 2 2 5 3 3 2 3 1 0 1 2 2 0 1 2 2 0 4 3 6 1 2 5 4 8 24 12 3 3 2 3 10 2 2 2 1 0 2 5 19 13 3 4 5 1 2 4 2 6 5 5 7 14 5 3 2 2 3 1 1 3 15 16 10 6 4 5 4 7 5 8 6 14 6 3 6 6 7 3 3 13 11 6 1 3 4 3 1 7 6 3 2 6 6 12 100 61 6 4 2 2 11 6 2 1 1 3 2 1 1 1 2 15 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 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 2 2 1 2 2 3 3 5 6 4 2 1 4 2 5 13 22 13 19 12 31 3 2 5 1 1 2 2 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 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 1 0; 1HNMR: 71 71 td 1H J 18 75 \| 71 70 ddt 1H J 9 18 82 \| 67 66 td 1H J 15 79 \| 66 65 dd 1H J 14 74 \| 42 41 q 2H J 66 \| 34 33 m 4H \| 28 27 tdd 2H J 9 20 72 \| 24 24 t 2H J 88 \| 20 19 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.
CCCCC(C=O)CSc1ccccc1	ir: 3 3 4 2 0 2 3 2 5 4 5 3 4 2 2 2 1 2 3 1 1 2 2 1 1 2 4 5 6 9 9 4 4 2 2 3 5 3 6 100 73 17 14 6 4 8 4 4 3 4 6 4 6 5 3 5 2 5 2 2 3 6 3 4 4 3 4 14 18 4 2 2 3 7 6 5 5 8 2 1 3 3 2 1 14 3 1 1 2 3 4 1 3 3 1 1 4 4 2 6 6 12 10 11 30 6 6 9 8 11 19 4 7 8 6 10 9 7 2 8 5 3 1 2 4 2 1 4 3 2 1 3 4 6 20 7 2 1 2 4 4 41 8 4 3 3 2 6 10 15 31 28 4 3 4 4 2 3 1 3 2 0 1 3 2 0 1 3 2 0 1 3 1 0 1 3 1 0 2 3 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 0 1 2 2 0 1 2 2 0 1 2 2 0 1 3 1 0 2 3 1 0 2 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 3 2 1 1 4 4 2 4 5 2 5 5 5 5 4 8 11 12 6 24 24 19 69 28 12 5 4 8 8 3 3 3 4 1 1 3 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 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 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 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2; 1HNMR: 97 97 dp 1H J 9 68 \| 73 73 m 3H \| 73 72 m 2H \| 33 32 ddd 1H J 9 60 136 \| 31 30 ddd 1H J 9 60 136 \| 25 24 dtd 1H J 59 67 126 \| 18 17 m 1H \| 15 12 m 5H \| 9 8 t 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cnc(Cl)c2c(COc3cccc(NC(=O)c4ccc(Cl)cc4)c3)csc12	ir: 5 3 7 3 2 1 1 1 2 2 2 1 1 3 4 2 4 10 1 2 1 1 2 3 2 1 1 2 3 5 5 1 1 1 1 2 1 2 2 2 16 13 11 3 1 6 8 7 3 4 1 2 2 2 6 7 12 7 2 1 3 2 2 2 1 2 2 2 14 7 10 2 3 2 2 1 1 3 5 2 1 1 1 1 1 1 2 1 1 1 1 1 13 2 5 1 1 6 3 2 1 1 3 3 2 1 1 1 0 27 7 4 3 3 1 1 1 2 2 2 0 3 1 2 1 2 2 2 8 2 1 1 1 1 1 1 1 1 2 1 9 3 6 33 5 7 2 3 2 1 7 5 3 100 4 0 2 10 5 4 1 2 6 3 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 1 0 1 1 1 1 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 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 1 1 1 1 1 1 2 1 1 2 2 4 2 10 51 19 7 2 2 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 16 4 4 2 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; 1HNMR: 88 88 s 1H \| 86 86 s 1H \| 79 78 m 2H \| 76 75 m 2H \| 74 74 ddd 1H J 12 22 80 \| 74 73 t 1H J 21 \| 73 72 m 2H \| 69 68 ddd 1H J 12 22 79 \| 53 52 d 2H J 10 \| 43 43 q 2H J 64 \| 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.
CCOC(=O)C1=Cc2ccc(Cc3ccc(C)cc3C)cc2OC1C(F)(F)F	ir: 6 7 10 7 5 5 2 3 5 3 1 3 1 2 5 3 2 4 8 1 0 2 5 3 5 5 2 2 1 1 1 2 1 2 3 1 1 1 2 1 2 3 4 86 2 4 3 0 2 4 3 0 3 8 13 10 5 3 1 1 2 2 3 0 2 6 2 5 31 5 8 6 6 3 5 7 4 2 2 1 2 3 1 1 3 2 4 2 3 2 1 5 8 2 10 16 7 4 7 100 4 6 9 2 4 2 1 2 3 2 1 41 20 10 14 5 7 7 7 2 6 2 0 2 3 3 1 3 5 4 1 6 3 1 1 1 2 0 0 2 2 2 2 5 23 20 4 4 4 16 10 2 8 8 7 3 2 1 2 5 2 2 1 2 1 1 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 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 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 2 2 2 2 1 2 4 3 2 6 8 3 9 10 16 42 39 23 21 7 5 2 2 1 1 1 2 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 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 79 79 d 1H J 18 \| 75 75 d 1H J 86 \| 71 71 dq 1H J 9 72 \| 70 69 m 2H \| 70 69 s 2H \| 67 66 dt 1H J 9 18 \| 57 56 qd 1H J 17 115 \| 43 42 q 2H J 71 \| 40 40 q 2H J 9 \| 23 22 s 3H \| 22 22 s 3H \| 12 12 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC/C=C/c1ccccc1Br	ir: 1 1 1 1 3 1 1 1 0 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 1 0 0 1 0 1 0 1 0 0 1 1 0 1 1 1 4 37 21 7 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 3 2 1 2 5 2 2 2 15 25 16 10 11 5 4 3 2 4 2 11 36 40 19 7 11 22 9 11 6 5 2 1 1 1 4 2 1 1 1 0 1 1 1 0 1 1 0 0 1 1 2 1 2 3 1 0 1 1 2 1 2 4 5 4 7 3 2 3 2 1 3 7 4 6 22 10 2 1 1 1 1 1 1 5 4 3 1 1 1 0 0 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 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 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 2 1 2 3 2 4 2 3 5 5 6 5 23 18 21 50 7 3 3 5 16 23 100 53 17 9 6 2 2 3 2 1 2 2 3 2 2 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 0 1 1 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; 1HNMR: 76 75 m 1H \| 75 74 m 2H \| 73 72 ddd 1H J 30 54 82 \| 69 68 dt 1H J 14 159 \| 62 61 dt 1H J 40 156 \| 45 45 ddd 2H J 13 40 55 \| 34 34 t 1H J 57	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(C(=O)C2CC2)cc1	ir: 1 9 17 15 4 7 7 2 0 5 9 5 8 53 13 58 4 4 6 3 1 21 8 24 5 6 5 4 3 6 13 2 8 5 6 1 2 14 18 13 14 8 10 3 3 9 6 3 5 9 17 19 8 10 4 2 31 7 28 3 3 5 2 0 3 4 2 2 5 6 8 5 4 4 2 4 4 4 2 2 9 6 2 2 4 6 15 8 12 6 12 7 6 4 2 2 5 4 4 3 5 3 1 2 5 3 0 3 5 3 1 9 37 7 0 18 16 9 9 9 8 13 14 14 10 5 5 9 10 3 1 3 4 2 2 5 5 16 20 37 11 8 10 45 29 26 100 70 74 2 14 20 8 6 4 6 4 0 2 5 6 2 3 5 4 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 3 4 2 1 3 4 2 1 3 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 4 3 1 2 4 3 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 3 4 2 1 3 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 3 1 2 4 3 1 2 3 4 2 5 13 12 11 7 28 38 32 38 15 12 5 7 6 4 3 5 6 3 1 4 5 2 3 4 4 2 1 3 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 2 1 2 4 2 1 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 2 4 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 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4; 1HNMR: 80 79 m 4H \| 39 39 s 2H \| 26 25 p 1H J 60 \| 11 11 m 2H \| 9 8 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1	ir: 2 2 2 2 2 2 2 2 6 8 4 1 2 1 1 1 4 2 1 2 4 7 2 2 3 1 1 3 3 1 4 22 50 36 6 1 2 3 3 0 1 4 5 5 15 5 4 5 6 3 1 1 1 2 2 5 3 4 3 2 2 3 12 31 34 11 27 100 11 13 9 3 5 18 2 3 1 1 2 2 4 7 2 1 5 7 2 2 2 2 1 3 4 11 31 14 10 21 29 39 47 6 3 2 2 1 2 2 1 2 3 5 7 3 7 8 21 11 9 10 10 12 4 6 7 7 8 8 12 7 10 18 38 15 4 4 7 23 6 4 2 2 2 1 3 19 5 3 3 1 1 1 1 1 2 2 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 11 6 2 3 2 3 1 2 4 5 3 11 6 48 73 8 12 28 23 46 21 10 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 82 82 dt 1H J 9 16 \| 79 79 t 1H J 22 \| 78 77 m 2H \| 74 73 tt 1H J 9 21 \| 54 54 q 2H J 9 \| 26 26 s 3H \| 18 17 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CCC(=O)N1CCN(Cc2ccc(-c3ccc4c(nnn4CC4CC4)c3Cl)cc2)CC1	ir: 1 12 10 14 0 4 7 5 3 4 12 10 7 8 9 6 1 4 6 4 2 5 6 5 4 13 7 6 2 7 7 9 1 7 4 5 14 7 5 4 4 14 5 7 5 5 7 1 9 6 4 2 5 7 39 28 15 18 7 1 6 7 3 1 4 7 6 0 10 5 3 1 4 5 2 1 5 8 10 2 9 13 36 9 6 8 5 3 7 13 4 9 18 4 3 3 6 5 5 7 8 7 3 3 6 3 0 3 16 7 0 3 6 2 3 4 6 6 2 5 6 8 6 18 15 12 15 10 9 12 4 9 12 7 10 18 21 20 5 5 6 9 100 8 9 8 25 42 31 5 2 6 6 1 3 5 4 1 2 6 3 1 2 5 3 0 2 4 2 0 2 5 2 0 2 5 2 0 4 25 4 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 4 1 1 3 3 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 1 1 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 5 6 11 5 6 5 5 5 10 7 14 12 26 20 68 35 16 8 7 5 5 3 2 3 4 2 1 3 4 2 1 3 4 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 0 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 4 2 1 2 4 2 1 2 4; 1HNMR: 77 77 s 2H \| 76 76 m 2H \| 74 74 dt 2H J 10 85 \| 44 43 d 2H J 49 \| 38 38 s 2H \| 37 37 t 2H J 9 \| 35 35 m 4H \| 27 27 m 4H \| 15 14 pt 1H J 49 60 \| 7 6 m 2H \| 5 4 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1	ir: 0 1 4 2 1 1 2 2 2 3 3 3 3 3 6 7 4 3 4 3 2 2 1 1 1 1 4 1 2 2 2 2 2 1 3 4 10 17 7 2 9 10 3 2 2 1 1 1 3 1 1 0 1 1 0 0 1 1 0 1 0 1 0 0 2 1 2 4 3 3 3 1 0 0 2 0 1 1 0 1 1 2 0 3 1 2 5 1 3 3 11 12 1 1 2 1 1 1 1 2 1 1 0 1 1 2 1 1 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 4 1 1 1 1 3 4 1 0 1 0 1 1 1 0 2 1 1 5 3 4 2 2 17 3 2 2 0 1 2 1 1 1 3 13 14 2 1 1 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 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 1 0 0 1 1 5 5 7 7 2 0 1 1 3 14 100 8 3 0 1 0 1 0 0 1 5 1 1 2 2 2 3 12 2 2 1 0 3 13 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; 1HNMR: 76 75 ddd 1H J 11 22 78 \| 74 73 m 2H \| 73 73 s 2H \| 72 72 t 1H J 68 \| 72 71 m 4H \| 70 69 ddd 1H J 9 18 81 \| 46 45 s 2H \| 44 43 d 1H J 59 \| 41 40 dp 1H J 50 60 \| 39 38 d 1H J 136 \| 37 37 d 1H J 136 \| 34 34 ddd 1H J 51 68 132 \| 32 31 ddd 1H J 52 68 132 \| 31 30 dd 1H J 51 126 \| 30 29 m 2H \| 28 28 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=S)Nc1ccc(S(=O)(=O)Nc2nccs2)c(F)c1	ir: 15 14 14 20 19 12 26 21 25 57 30 18 21 11 11 9 14 23 13 8 18 15 17 20 14 12 8 6 6 6 5 15 14 3 17 20 16 14 7 8 4 2 3 4 5 8 12 5 3 3 4 10 18 9 6 11 4 3 7 2 13 0 6 7 7 16 24 12 35 8 6 5 8 4 2 4 2 2 3 4 5 17 17 8 23 85 46 16 20 67 28 11 8 6 3 25 22 9 4 3 4 3 5 4 4 5 7 5 5 7 12 4 4 3 10 8 3 2 3 3 1 2 3 4 17 2 3 3 4 10 28 4 4 6 25 13 9 5 14 33 10 13 12 5 3 2 2 3 3 2 9 26 5 20 31 20 34 11 5 2 3 17 22 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 2 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 2 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 2 2 2 2 1 1 2 2 2 2 2 2 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 3 4 8 19 100 8 24 7 4 4 2 3 3 2 2 3 2 2 2 3 3 5 8 13 36 10 6 11 13 10 5 3 4 5 39 7 3 1 2 3 2 2 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 1 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; 1HNMR: 80 80 dd 1H J 47 91 \| 76 76 dd 1H J 22 121 \| 75 74 dd 1H J 21 91 \| 73 72 s 2H \| 72 72 d 1H J 44 \| 68 68 d 1H J 44	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@@H]1C[C@@H]([C@@H](N)CN2CC(=O)N(c3ccccc3C)CC2(C)C)OC1=O	ir: 8 6 2 5 10 4 12 5 7 5 0 19 8 5 10 9 11 10 5 8 6 6 7 25 27 18 18 13 21 41 12 10 6 4 11 10 39 22 13 28 16 10 69 58 14 5 9 13 13 6 10 15 18 13 11 8 12 19 17 26 27 12 29 24 53 65 28 92 52 20 21 16 28 24 23 23 33 8 21 55 100 17 20 36 19 7 5 8 4 6 30 13 7 7 13 7 28 22 9 6 16 16 16 15 8 9 17 6 11 7 25 56 5 24 54 35 29 13 27 16 4 18 21 14 29 36 40 25 47 54 15 38 41 47 58 55 29 21 32 10 5 6 9 6 14 86 14 4 36 4 51 26 2 5 5 9 3 4 3 2 3 6 4 0 2 5 3 0 3 5 2 1 3 5 2 0 3 4 2 0 3 4 2 0 3 4 2 1 3 4 2 1 3 4 1 1 3 4 1 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 0 2 4 3 0 2 4 2 1 2 4 2 0 3 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 2 4 4 1 1 4 4 1 2 5 5 3 5 13 5 4 6 13 8 12 11 7 13 9 15 19 39 11 28 79 48 12 23 9 4 2 4 4 4 3 6 20 11 20 46 49 19 15 13 11 14 50 52 7 3 2 4 4 1 1 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 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 3 1 2 3 3 1 2 3 2 1 2 4 2 1 2 4 2 1; 1HNMR: 73 72 m 3H \| 69 69 ddd 1H J 8 16 72 \| 43 43 dddd 1H J 7 34 44 53 \| 42 41 d 1H J 115 \| 40 40 d 1H J 115 \| 36 35 d 1H J 130 \| 34 34 d 1H J 130 \| 33 32 dddd 1H J 19 42 88 108 \| 31 31 d 2H J 64 \| 29 28 dd 1H J 43 129 \| 27 26 m 2H \| 22 21 d 3H J 7 \| 21 20 ddd 1H J 36 82 142 \| 19 18 m 1H \| 18 17 m 1H \| 15 14 m 1H \| 13 12 d 5H J 132 \| 10 9 td 3H J 15 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)/C=C/c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12	ir: 12 6 3 6 8 11 40 29 7 6 5 7 4 4 3 3 4 3 2 3 4 13 16 58 3 7 10 7 7 9 4 2 2 3 2 2 3 3 3 4 12 4 2 3 2 7 4 3 2 2 3 15 33 50 37 20 14 6 6 15 4 5 3 4 4 7 7 3 9 31 9 5 6 5 10 22 3 3 2 3 4 6 38 12 6 4 5 2 3 6 3 3 3 3 2 3 4 7 31 6 4 11 12 8 5 6 6 5 13 20 27 64 12 11 10 11 5 5 2 4 6 5 5 5 4 5 10 9 10 5 12 10 6 3 3 3 3 2 2 4 7 29 1 92 43 97 11 4 6 60 5 2 7 14 8 7 2 5 3 0 60 9 2 3 3 2 3 41 13 3 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 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 3 3 2 2 2 2 3 6 3 3 3 5 6 3 8 24 16 36 22 100 9 18 12 12 8 3 3 2 2 3 2 1 2 2 2 1 2 2 2 2 2 2 2 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 2 1 2 2 2 1 2 2 2 1 2 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 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 84 84 m 2H \| 79 79 d 1H J 158 \| 73 73 dddd 1H J 6 21 30 121 \| 73 72 ddd 1H J 47 88 101 \| 72 71 m 1H \| 70 69 d 1H J 70 \| 66 65 d 1H J 158 \| 51 50 tqd 1H J 7 18 46 \| 42 41 q 2H J 61 \| 38 37 m 1H \| 36 36 m 1H \| 23 22 m 1H \| 22 21 m 1H \| 20 19 m 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.
CN(C)c1ccc(CCOC(=O)C2CCn3c(C(=O)c4ccccc4)ccc32)cc1	ir: 14 9 3 1 4 6 9 2 2 7 3 7 1 9 8 1 1 2 7 4 2 2 1 1 1 1 11 2 2 4 4 6 3 3 6 22 10 33 96 17 9 3 4 5 29 6 5 2 2 1 8 4 3 6 12 32 13 21 5 8 6 4 5 8 2 5 4 11 19 17 6 2 3 6 9 2 4 5 4 3 3 2 1 2 3 3 2 2 4 3 11 14 14 5 21 12 7 18 5 14 7 4 4 2 0 2 2 4 2 16 8 5 6 13 9 6 8 42 15 4 21 17 5 5 5 5 2 3 7 8 2 1 5 12 13 24 0 4 82 4 8 36 21 21 59 14 9 6 6 24 37 17 4 22 6 2 1 1 2 1 2 1 1 23 2 1 1 1 1 0 1 1 1 0 0 1 1 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 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 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 1 0 1 1 1 0 1 2 1 3 3 3 4 4 2 2 6 4 8 14 8 12 100 73 62 23 22 3 4 6 2 2 2 2 1 0 1 1 1 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 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 0 0 0 0 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 78 dq 2H J 16 79 \| 76 76 m 1H \| 76 75 m 2H \| 74 73 d 1H J 77 \| 70 70 dt 2H J 9 79 \| 67 66 m 2H \| 64 63 dd 1H J 7 75 \| 44 42 m 4H \| 39 39 td 1H J 7 54 \| 30 29 m 2H \| 29 29 s 5H \| 26 26 dtd 1H J 37 55 124 \| 24 23 dtd 1H J 37 55 124	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)OC[C@H]2COc3ccc4nc(C)oc4c3O2)cc1	ir: 10 18 1 12 8 5 9 13 37 28 19 17 52 15 6 5 6 2 2 7 5 3 5 23 16 3 2 5 5 2 3 21 15 7 5 6 4 2 2 6 6 11 22 20 8 5 6 7 5 3 7 9 12 50 43 34 6 1 4 7 4 2 7 16 20 19 25 5 10 16 33 13 4 2 7 34 14 3 5 5 5 17 6 6 41 43 9 9 77 4 8 7 2 66 64 7 0 3 7 8 3 7 7 5 19 6 20 7 0 5 9 6 7 5 7 4 1 5 9 16 6 9 17 7 12 23 23 7 3 5 6 3 5 22 5 2 5 25 8 4 2 5 6 20 81 8 22 11 6 11 5 1 5 7 25 2 3 5 4 1 25 11 4 1 3 6 3 0 3 6 3 0 3 6 3 0 3 5 3 1 3 5 2 1 4 5 2 1 4 5 2 1 4 5 2 2 4 4 2 2 4 4 2 2 4 4 1 2 5 4 1 2 5 4 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 2 1 4 5 2 1 4 4 2 2 4 4 2 2 4 4 2 3 5 4 2 3 5 5 5 7 6 6 2 6 8 6 3 6 11 9 11 7 10 33 20 100 56 56 25 13 12 5 7 6 5 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 1 3 4 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 2 3 4 3 1 3 4 3 1 3 5 3 1; 1HNMR: 76 76 m 2H \| 75 74 m 2H \| 74 73 d 1H J 82 \| 69 69 d 1H J 82 \| 47 45 m 2H \| 45 44 dd 1H J 24 118 \| 44 43 dd 1H J 61 126 \| 42 42 dd 1H J 52 118 \| 26 26 s 2H \| 24 24 d 3H J 8	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)n1cc(C(=O)O)c(=O)c2cc3cc(F)c(N4CCNCC4)cc3nc21	ir: 2 2 2 1 2 1 2 1 1 2 2 3 2 3 3 8 2 2 3 3 11 100 6 3 2 2 3 2 2 2 1 1 2 4 2 1 1 2 1 1 0 1 1 1 5 18 2 24 1 49 5 1 2 3 8 5 4 3 1 0 3 3 3 1 6 3 2 1 14 19 2 3 8 2 2 4 14 13 2 1 1 1 1 1 2 2 18 2 10 2 1 1 1 1 1 2 2 2 2 2 5 2 1 1 2 2 2 3 6 30 15 10 3 3 12 7 8 3 1 1 3 2 2 2 4 7 1 2 3 8 1 1 2 1 2 1 2 3 4 3 1 2 3 3 7 1 1 4 2 1 3 40 43 2 43 3 1 2 5 5 32 3 1 1 1 0 1 2 21 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 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 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 1 1 1 1 1 1 1 1 1 1 1 1 3 6 2 2 12 4 5 2 2 2 1 1 0 13 2 0 0 1 1 2 2 2 2 25 18 2 3 2 1 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 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 1 1; 1HNMR: 86 86 m 2H \| 78 77 d 1H J 42 \| 76 76 dd 1H J 22 121 \| 33 33 m 5H \| 29 29 m 5H \| 19 18 p 1H J 33 \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1C(=O)Nc2c(N)cc(Cl)cc2N1C(=O)OCc1ccccc1	ir: 28 20 13 12 7 7 6 7 7 7 8 13 13 9 5 6 13 11 8 16 26 6 7 9 20 25 7 5 9 10 7 7 8 10 13 18 17 8 5 31 29 6 5 8 10 13 5 6 5 3 4 7 7 3 4 5 4 3 5 5 4 4 7 6 4 7 13 16 10 4 12 7 7 12 5 7 12 12 7 6 4 4 5 8 4 3 5 7 15 15 5 6 5 5 5 4 4 4 6 7 10 5 7 5 3 4 5 4 3 4 5 4 4 9 9 8 10 5 8 6 6 5 5 7 7 9 11 5 8 8 6 4 10 15 16 13 5 5 6 10 8 8 9 7 5 5 8 7 15 56 31 18 22 41 27 21 21 8 5 0 31 73 6 6 5 4 4 4 4 5 4 3 4 4 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 4 4 3 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 3 4 4 4 3 4 4 4 3 4 5 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 4 3 4 4 3 3 4 4 3 4 4 4 4 4 4 4 3 4 4 4 4 4 4 4 3 4 5 4 4 5 7 9 6 5 9 9 12 19 15 61 11 11 8 5 4 4 5 4 5 5 6 4 5 4 3 6 49 31 8 3 3 8 13 13 10 9 8 5 45 100 20 5 4 6 4 4 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 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 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3; 1HNMR: 87 87 s 1H \| 74 73 m 7H \| 69 69 d 1H J 22 \| 53 52 s 2H \| 52 51 q 1H J 76 \| 48 48 s 2H \| 15 14 d 3H J 77	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(=O)c1ccc(N)cc1	ir: 29 24 25 27 29 27 13 23 20 5 9 13 9 4 4 5 5 4 5 3 2 2 3 3 3 3 8 2 3 4 5 3 3 4 4 3 7 52 36 5 5 3 4 4 6 3 4 4 9 10 5 4 5 2 3 8 30 20 4 4 3 3 3 2 2 2 2 1 2 5 3 3 3 2 3 4 3 12 17 3 3 2 2 2 2 2 1 2 2 16 7 4 3 1 2 2 2 2 2 2 2 2 2 3 2 4 14 5 6 7 5 3 2 5 7 5 5 3 6 9 3 4 4 8 21 14 12 21 2 2 3 5 3 2 2 2 2 2 2 2 2 17 82 13 3 3 3 3 3 4 6 8 5 3 10 32 47 61 14 7 4 3 2 46 13 1 1 2 2 2 2 2 2 2 1 2 1 1 2 2 1 2 2 2 2 1 1 2 2 2 2 2 2 1 2 2 2 2 2 1 1 2 2 2 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 1 1 2 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 3 2 2 2 2 4 3 3 6 4 2 3 4 3 8 20 9 8 49 34 3 2 2 3 3 2 1 2 2 1 1 2 3 2 0 9 85 53 10 3 2 2 2 2 2 2 3 10 100 77 18 11 3 3 2 1 2 2 2 1 2 2 2 1 1 2 2 1 2 2 1 1 1 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 1 1 2 2 1 1 1 2 1 1 2 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; 1HNMR: 78 78 m 2H \| 67 67 m 2H \| 44 44 s 2H \| 30 30 t 2H J 67 \| 18 17 dtd 2H J 66 73 140 \| 10 9 t 3H J 74	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(-c2ccccn2)cc1F	ir: 7 6 5 8 8 20 18 5 7 8 6 3 2 2 3 3 3 2 1 2 2 5 3 3 2 2 1 2 2 2 3 3 3 4 2 19 11 4 16 100 6 3 4 2 2 1 1 2 2 2 2 6 19 15 7 5 3 2 2 3 2 1 1 3 4 6 11 14 6 5 3 2 27 1 2 2 2 1 4 4 7 5 7 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 4 2 1 2 6 1 1 1 1 1 1 1 7 15 2 2 2 2 2 4 26 25 0 4 3 4 2 2 3 1 1 2 3 2 0 4 13 31 21 2 0 3 3 2 9 33 6 12 7 6 19 13 3 3 10 18 7 5 4 40 11 1 2 1 2 2 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 1 1 1 1 1 1 2 2 2 1 5 7 23 82 39 19 10 7 4 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 86 dd 1H J 17 40 \| 81 80 dd 1H J 51 97 \| 78 77 dd 1H J 21 98 \| 77 77 dd 1H J 14 74 \| 77 76 td 1H J 16 72 \| 76 75 dd 1H J 22 121 \| 72 72 ddd 1H J 15 40 71 \| 39 38 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

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