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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
Cc1cc(C)cc(-n2ncc3c(Cl)ncnc32)c1	ir: 3 3 3 3 3 3 8 3 2 3 4 3 28 7 3 8 6 3 3 3 3 12 4 3 4 3 3 28 3 4 4 4 3 6 41 16 5 5 3 8 61 33 6 11 5 5 4 3 4 9 17 4 3 3 3 3 3 11 3 5 6 11 4 4 4 3 4 6 8 6 4 4 21 9 5 4 3 3 3 4 3 14 3 3 3 3 3 3 3 3 3 4 10 8 17 4 12 7 40 7 3 10 3 3 4 3 3 26 5 3 3 3 3 3 3 4 8 3 3 4 3 3 4 4 5 7 16 9 5 7 6 2 0 14 33 7 6 2 1 4 4 5 2 4 4 2 2 4 4 4 19 6 8 8 11 4 4 100 7 3 5 3 14 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 3 3 3 3 3 3 3 5 4 5 4 4 4 5 4 14 45 11 9 4 5 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 3 3 3; 1HNMR: 87 87 s 1H \| 85 85 s 1H \| 74 74 d 2H J 21 \| 69 69 t 1H J 23 \| 23 22 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12	ir: 3 3 7 10 14 8 2 8 4 14 7 3 3 3 3 2 8 5 7 5 5 8 6 7 4 4 4 4 4 2 1 1 2 4 3 3 1 2 1 2 1 4 3 3 3 6 7 9 15 27 15 9 5 3 14 14 42 6 5 5 3 4 4 3 4 5 4 0 5 5 1 5 12 36 15 9 12 15 40 36 17 5 14 8 22 55 30 28 72 56 19 9 3 5 9 13 14 8 2 11 8 7 7 16 17 6 6 4 6 6 6 5 4 4 6 5 6 7 8 5 6 4 4 8 14 6 6 7 5 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 3 1 6 5 9 26 44 8 2 9 83 12 7 75 1 1 1 2 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 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 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 3 2 2 3 7 5 3 4 4 1 8 7 5 3 12 10 8 100 22 12 8 5 3 4 7 62 9 3 2 1 1 1 1 1 1 0 1 0 0 0 0 1 1 0 1 1 0 1 1 1 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 42 \| 80 79 d 1H J 83 \| 75 74 dd 1H J 8 42 \| 74 73 dd 1H J 27 82 \| 72 72 d 1H J 29 \| 55 54 m 1H \| 41 40 d 1H J 57 \| 39 38 s 2H \| 33 33 ddd 1H J 44 71 81 \| 31 31 ddd 1H J 46 73 118 \| 29 27 m 2H \| 26 25 dd 1H J 54 109 \| 19 18 m 2H \| 17 15 m 5H \| 13 12 dqd 1H J 60 75 124 \| 9 8 td 3H J 15 75	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCCC1(c2ccccc2)OCCO1	ir: 1 1 1 1 2 7 12 3 4 1 4 6 3 7 5 2 3 5 12 25 23 100 16 28 8 2 2 1 1 0 1 32 7 2 1 2 7 1 3 1 8 42 2 1 1 2 3 6 2 1 1 1 1 0 1 2 4 0 1 2 1 1 2 7 2 2 2 2 5 5 2 1 2 3 2 5 5 7 33 16 6 2 5 2 4 3 7 2 1 1 1 7 5 1 1 3 2 5 6 2 2 1 1 5 1 1 1 1 4 3 7 8 14 18 7 2 1 1 4 9 2 1 2 1 2 2 2 1 2 1 1 0 0 1 3 18 2 2 2 2 4 13 10 52 23 13 8 3 2 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 4 4 3 1 1 1 2 1 2 4 10 6 3 43 32 7 3 1 1 1 1 1 24 30 5 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 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: 75 74 m 2H \| 74 73 m 2H \| 74 73 m 1H \| 40 40 m 2H \| 38 38 m 2H \| 25 25 t 2H J 88 \| 23 22 t 2H J 81 \| 18 17 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cl)N1CCOc2ccc(-c3cncs3)cc2C1	ir: 5 8 3 14 21 23 14 12 9 13 13 31 22 23 14 16 9 30 18 17 13 29 10 23 41 7 56 74 22 10 12 6 5 4 6 7 9 6 8 8 12 7 4 7 4 8 16 18 9 12 7 12 9 25 68 65 7 8 10 16 27 1 5 6 14 7 24 53 27 18 9 19 57 3 4 6 4 4 6 10 8 35 55 30 61 15 7 6 7 9 16 41 61 37 14 9 6 17 14 20 20 26 8 8 9 4 0 6 19 46 89 45 15 27 48 12 1 11 12 10 7 8 14 12 11 13 6 9 13 8 7 8 14 17 11 9 4 11 9 8 7 7 21 31 41 39 12 4 8 25 66 6 6 14 10 3 3 4 3 2 3 5 14 3 3 4 3 2 2 5 2 1 3 4 3 1 3 3 2 2 3 3 2 2 3 4 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 1 2 3 3 1 3 4 3 1 3 3 3 2 3 4 2 1 3 3 2 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 3 3 3 2 3 6 5 1 10 8 6 8 4 7 6 7 9 45 57 91 51 59 100 14 12 6 5 4 3 3 3 2 3 4 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 2 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 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; 1HNMR: 88 88 d 1H J 18 \| 82 81 d 1H J 18 \| 77 76 dd 1H J 22 79 \| 75 75 dt 1H J 9 20 \| 69 69 d 1H J 79 \| 46 46 d 2H J 10 \| 43 42 t 2H J 64 \| 37 37 t 2H J 65	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CCc1ccc(-c2ccccc2)cc1)c1ccccc1	ir: 1 1 1 4 3 2 1 1 1 2 2 2 2 2 1 3 3 1 1 1 3 2 2 2 2 1 1 2 4 7 23 9 15 18 3 4 2 2 2 37 100 49 11 6 2 3 1 2 2 1 1 1 2 1 8 17 9 4 2 0 1 2 2 2 1 3 3 4 9 11 18 2 2 3 1 1 2 1 4 4 1 2 1 1 1 1 1 1 3 13 3 2 2 1 2 3 4 2 3 2 1 1 1 1 1 1 1 3 3 2 2 1 2 3 4 4 2 3 2 2 2 3 6 3 5 7 7 5 2 2 3 5 6 6 16 11 3 2 2 3 8 78 98 44 5 15 16 7 16 6 2 5 10 4 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 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 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 3 5 1 2 3 2 0 5 5 7 12 9 20 53 97 57 17 11 13 8 4 5 4 2 3 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; 1HNMR: 80 79 m 2H \| 76 75 m 3H \| 75 75 m 4H \| 75 74 m 2H \| 74 73 m 1H \| 73 72 dt 2H J 9 83 \| 33 32 dd 2H J 78 85 \| 30 29 ddd 2H J 8 76 82	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC[C@@H](O)[C@H]1O[C@H](O)[C@@H](O)[C@H]1O	ir: 2 3 8 6 8 11 18 8 14 9 7 21 23 16 9 14 10 14 15 9 14 5 8 7 5 7 12 6 4 2 2 5 2 2 3 1 2 1 1 1 2 1 2 3 2 2 1 2 1 1 2 1 1 1 1 1 3 4 3 5 2 2 3 2 3 2 2 2 3 3 3 5 7 9 3 5 7 2 4 8 3 3 9 15 15 6 20 58 32 20 33 37 18 14 3 2 3 2 1 5 8 6 2 2 5 1 1 1 1 1 2 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 1 0 0 0 1 0 0 0 1 0 1 0 0 0 1 1 1 0 0 0 1 1 1 1 1 0 1 1 1 1 0 0 0 0 0 1 1 0 1 0 0 1 0 1 1 1 1 0 1 1 1 1 0 1 1 2 2 2 2 3 2 1 0 1 2 1 1 2 5 11 100 70 63 26 13 3 1 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 1 1 1 0 0 0 1 0 1 1 1 0 0 1 0 0 0 0 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 0 0 0 0 0 0 0 0 0 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: 55 55 d 1H J 37 \| 51 50 ddt 1H J 10 36 44 \| 48 47 d 1H J 51 \| 47 46 d 1H J 55 \| 45 45 d 1H J 53 \| 41 41 t 1H J 57 \| 40 39 dddt 1H J 9 44 53 61 \| 39 38 m 4H \| 36 35 ddd 1H J 48 57 117	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1COC2(CCNCC2)CN1C1(CO)CC1	ir: 5 2 1 2 3 4 1 4 7 6 8 5 9 6 11 7 7 8 11 7 9 11 5 4 4 8 10 28 11 11 5 4 8 4 2 3 3 3 3 6 5 2 3 4 3 1 2 3 2 2 2 5 2 3 4 4 4 2 4 4 4 9 6 4 3 2 10 3 2 4 3 2 2 1 2 2 1 3 3 2 2 1 2 2 2 4 3 3 5 3 4 4 6 2 13 19 9 3 7 3 4 2 4 3 2 2 3 2 3 2 5 2 2 2 11 30 20 16 16 2 0 2 4 2 3 5 4 8 2 11 7 5 3 7 3 1 2 6 3 1 1 2 2 1 2 2 2 1 1 5 5 3 2 3 2 1 1 2 2 2 2 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 2 2 4 2 2 2 3 3 3 5 7 7 2 3 4 5 4 10 32 100 12 8 4 3 2 2 2 3 1 2 3 2 3 16 24 10 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 48 48 p 1H J 37 \| 42 41 m 3H \| 37 36 d 2H J 48 \| 36 35 s 2H \| 30 29 ddt 2H J 35 60 137 \| 28 27 ddt 2H J 35 60 137 \| 21 20 m 2H \| 19 18 m 4H \| 16 16 ddd 2H J 33 60 141	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C[C@H](NC(=O)c1cc(O)c2cccc(O)c2n1)C(=O)NCCc1ccc(O)c(O)c1	ir: 2 8 7 7 15 2 3 5 4 2 2 2 2 1 11 7 6 3 6 6 1 6 26 10 4 5 2 1 2 1 4 3 1 1 0 1 2 5 1 3 5 7 8 6 1 5 1 1 1 1 1 1 1 1 3 1 2 1 3 0 1 1 1 4 1 2 6 2 2 0 1 1 1 1 1 3 2 1 6 11 10 7 12 8 8 7 5 16 4 3 2 1 5 5 6 3 1 1 4 1 1 1 0 0 1 3 0 1 1 0 2 1 0 1 0 0 1 1 4 2 1 6 2 1 2 2 3 2 1 4 3 1 2 3 11 3 1 1 0 0 1 1 4 4 4 6 6 5 2 3 8 0 0 1 0 0 0 0 0 0 0 1 1 1 3 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 1 1 2 1 2 4 7 16 1 1 1 1 4 6 100 31 73 8 0 1 0 0 0 1 1 0 0 2 2 0 5 4 2 1 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 90 90 d 1H J 93 \| 89 89 s 1H \| 77 76 m 1H \| 74 74 d 2H J 67 \| 74 74 m 1H \| 71 70 dd 1H J 11 92 \| 70 69 t 1H J 49 \| 68 67 s 1H \| 67 67 d 1H J 90 \| 66 66 dt 1H J 9 18 \| 65 65 ddt 1H J 9 16 89 \| 48 47 dt 1H J 74 95 \| 35 33 m 2H \| 29 27 m 3H \| 26 25 dd 1H J 74 177	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc2c(Cl)ncnc2s1	ir: 3 1 1 1 2 2 1 2 2 1 1 2 3 2 3 19 5 4 2 2 2 3 2 1 1 1 1 1 1 2 2 2 1 2 2 1 2 4 16 12 3 1 5 2 2 1 2 2 2 1 5 2 3 1 1 2 2 2 1 2 1 1 2 2 1 1 1 2 1 1 2 2 4 2 2 3 2 2 4 2 1 1 2 1 1 1 1 2 1 1 1 1 1 2 2 2 2 2 2 1 1 1 1 1 1 2 2 5 5 5 10 2 1 2 2 2 1 2 4 6 15 11 3 3 5 3 2 2 1 2 2 1 1 1 2 1 1 1 2 24 15 2 2 1 1 1 2 52 100 0 1 2 1 1 36 5 2 29 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 2 1 1 1 1 2 1 1 2 1 1 1 3 4 1 1 2 2 6 5 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; 1HNMR: 89 88 s 1H \| 79 79 s 1H \| 44 43 q 2H J 64 \| 14 13 t 3H J 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)[C@@H]1CCCN(CCOCCC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1	ir: 9 7 1 22 4 8 13 7 16 6 6 11 18 6 3 4 3 3 2 8 3 3 1 0 0 0 0 0 1 1 1 13 2 2 1 6 6 1 1 1 1 1 1 5 5 2 2 1 2 6 3 6 6 14 18 46 30 13 7 6 5 5 5 4 10 3 6 4 13 18 2 7 10 7 11 7 3 2 2 4 12 49 4 1 4 3 17 25 7 2 1 3 14 45 5 11 8 11 5 3 4 12 17 2 2 5 4 9 9 3 7 7 13 10 4 5 10 7 8 12 2 4 6 4 4 5 4 7 8 8 5 3 4 5 9 7 5 3 2 1 1 2 5 10 13 10 100 40 18 9 2 2 12 6 1 2 1 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 3 4 13 6 3 3 5 5 2 12 11 16 17 58 45 30 15 8 4 7 3 1 2 1 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 8H \| 42 41 qd 2H J 37 63 \| 40 39 tt 1H J 9 64 \| 35 35 td 4H J 28 59 \| 30 30 dd 1H J 37 115 \| 28 27 dd 1H J 65 115 \| 27 25 m 5H \| 20 20 dt 2H J 62 70 \| 19 18 dddd 1H J 55 63 91 130 \| 18 17 ddtd 1H J 39 63 90 128 \| 17 15 m 2H \| 13 12 t 3H J 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CCCc1ccc2cc(CN3C(=O)c4ccccc4C3=O)ccc2n1	ir: 4 7 5 5 1 1 5 1 1 1 2 3 4 4 3 3 4 1 2 1 1 1 4 2 2 2 3 2 1 2 5 1 0 4 21 2 3 7 29 20 15 100 9 7 4 4 21 23 9 6 15 3 6 20 9 1 24 1 10 8 8 14 3 3 2 6 5 4 7 18 4 2 1 0 1 1 1 1 2 2 1 0 5 5 0 0 2 15 4 1 1 6 38 3 2 3 2 3 5 2 0 0 1 1 1 6 2 8 3 1 2 1 7 2 3 4 3 6 17 28 10 8 3 3 2 8 4 2 1 2 2 1 41 21 30 8 17 17 9 3 2 0 1 2 7 9 9 24 4 5 10 45 17 8 34 37 22 14 3 5 3 3 1 0 0 1 2 1 0 1 0 0 0 1 0 0 1 1 1 58 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 1 1 0 0 1 0 0 1 1 0 1 3 3 3 2 2 2 3 2 4 12 22 20 50 62 30 30 7 3 6 3 0 1 1 1 1 0 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 dd 1H J 21 79 \| 79 78 m 3H \| 78 78 td 1H J 10 21 \| 77 77 dd 2H J 31 50 \| 74 73 m 2H \| 53 53 t 2H J 8 \| 31 30 td 2H J 8 56 \| 28 28 t 2H J 57	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccc(C(OC)OC)cc1N	ir: 33 6 9 5 5 4 1 4 2 2 1 3 4 2 2 2 2 1 1 1 1 3 3 7 6 3 2 2 1 1 2 2 3 1 1 2 1 3 6 3 2 1 2 1 2 0 1 1 1 1 4 1 1 3 3 8 3 1 1 6 1 1 1 1 1 2 2 15 9 2 1 1 1 2 2 4 2 4 1 9 8 3 8 1 1 0 1 4 3 6 1 1 1 4 7 7 2 0 0 0 1 2 10 1 0 0 1 0 0 0 1 1 1 1 2 5 1 2 8 9 0 2 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 0 0 0 0 1 1 1 0 1 1 1 2 15 17 7 6 13 4 4 18 100 100 4 4 2 13 8 1 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 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 1 1 1 0 0 1 0 0 1 1 1 0 0 1 1 1 1 1 1 1 2 2 7 9 17 30 6 4 2 2 2 1 1 1 1 0 0 0 0 0 1 1 3 38 38 3 1 1 1 1 0 0 2 2 16 74 40 14 2 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 70 m 2H \| 68 67 dd 1H J 7 19 \| 51 51 ddp 1H J 9 16 23 \| 39 38 s 2H \| 33 33 d 6H J 14 \| 26 26 qd 2H J 9 76 \| 13 12 t 3H J 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(O)[nH]c(=O)c(C#N)c1C	ir: 8 3 0 4 7 3 1 4 6 3 1 4 6 3 1 5 6 3 1 5 6 3 4 5 7 2 2 5 5 2 2 6 6 10 4 9 5 1 2 6 6 2 6 6 4 1 3 7 5 13 20 11 5 2 3 7 4 0 4 7 3 1 5 8 3 1 4 6 3 1 4 6 3 1 4 7 4 6 6 7 3 2 5 5 2 2 5 6 6 4 8 7 2 4 9 8 2 3 6 5 1 3 6 4 1 3 6 5 1 4 7 4 0 3 8 4 1 4 7 3 1 4 6 3 1 4 6 3 1 4 6 2 1 5 5 2 2 5 5 2 2 5 5 3 2 7 5 2 2 5 5 1 3 5 12 1 2 6 5 3 18 10 8 1 3 6 4 1 3 6 3 0 3 6 3 1 4 6 3 1 4 6 5 12 4 6 3 1 4 5 2 1 4 5 2 2 5 5 2 2 5 5 2 2 5 5 2 2 5 4 1 2 5 4 1 3 6 4 1 3 6 4 1 3 6 4 1 3 6 3 1 3 6 3 1 4 6 3 1 4 6 3 1 4 5 3 1 4 5 2 2 4 5 2 2 5 5 3 3 6 6 2 2 5 4 2 2 5 4 2 3 6 4 1 3 6 4 1 3 6 4 1 4 7 4 1 4 6 3 1 4 6 3 2 4 100 26 14 4 4 3 2 4 5 3 2 4 5 3 3 12 7 10 12 8 6 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 6 4 2 3 5 3 1 3 5 3 1 3 5 3 1 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 2 2 4 4 2 2 4 4 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 2 3 5 3 1; 1HNMR: 94 94 s 1H \| 22 22 s 3H \| 17 17 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)OCCO6)(CC3)CO4)c2n1	ir: 1 2 2 4 2 2 3 3 2 2 1 1 1 1 3 1 2 1 3 4 10 2 2 43 11 1 2 12 3 4 9 4 2 4 1 4 6 8 12 6 6 12 25 15 35 36 11 3 5 3 2 27 21 22 16 14 14 42 6 3 3 2 2 3 3 5 2 5 11 10 9 2 4 2 1 1 2 1 0 0 2 1 1 0 2 6 9 5 7 5 6 6 6 27 81 2 0 1 3 3 3 21 3 2 1 1 1 2 9 2 3 7 7 8 32 46 100 6 6 12 18 11 4 4 6 3 4 4 3 4 9 28 30 6 16 13 5 39 11 15 11 6 4 0 2 16 11 7 3 4 6 13 18 1 2 1 2 1 8 2 1 0 3 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 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 1 0 1 1 0 0 1 1 1 1 2 2 2 2 3 4 7 4 3 2 2 2 2 4 6 24 4 9 35 23 20 8 1 1 1 1 1 2 3 2 1 2 2 1 1 4 10 15 41 30 4 1 1 1 1 1 1 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 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; 1HNMR: 83 82 d 1H J 141 \| 82 81 d 1H J 81 \| 73 72 d 1H J 88 \| 71 71 dt 1H J 9 88 \| 70 70 d 1H J 81 \| 45 44 m 2H \| 44 43 m 2H \| 41 41 dd 2H J 9 52 \| 40 39 s 2H \| 38 37 s 2H \| 36 35 t 1H J 52 \| 34 34 td 2H J 47 80 \| 20 19 m 6H \| 17 17 ddd 2H J 46 71 146 \| 16 15 ddd 2H J 46 73 137	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C[C@@H]2C[C@@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)OC2=O)cc(OC)c1OC	ir: 1 14 8 2 2 2 4 3 3 9 7 2 17 8 4 2 2 1 4 3 2 5 4 3 4 7 23 23 43 58 33 17 19 7 6 7 6 11 3 10 18 3 5 3 2 4 5 4 3 4 2 3 3 4 2 1 4 5 2 1 1 7 4 6 5 5 5 16 19 12 6 4 5 9 10 4 4 5 10 0 4 2 0 0 2 1 0 1 2 3 6 6 13 4 3 2 5 5 18 7 7 4 1 2 3 6 3 6 16 7 8 18 17 5 2 10 9 9 5 7 6 6 3 5 3 8 3 5 7 6 8 4 9 3 5 31 3 3 4 3 4 3 6 32 100 93 7 3 5 61 7 4 3 2 2 3 9 3 2 0 4 12 9 1 1 0 1 1 1 0 1 1 1 0 1 1 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 1 2 1 1 1 2 3 2 3 2 2 2 4 3 4 4 8 10 15 13 37 20 12 89 32 11 4 3 2 2 1 0 2 2 1 1 1 2 1 0 1 1 1 0 2 2 6 13 75 7 2 1 1 1 1 1 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 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: 74 74 ddt 2H J 12 23 79 \| 73 73 m 2H \| 73 72 m 1H \| 64 64 d 2H J 9 \| 53 53 d 1H J 81 \| 48 47 dddd 1H J 8 35 53 62 \| 41 40 m 1H \| 39 38 d 9H J 22 \| 32 31 ddt 1H J 9 68 141 \| 30 29 m 3H \| 28 27 m 1H \| 24 23 m 1H \| 21 20 m 1H \| 14 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NS(=O)(=O)c1cccc(-c2noc(-c3cnn4c(C(F)(F)F)cc(-c5ccc(Cl)cc5)nc34)n2)c1	ir: 34 6 7 4 3 2 1 1 2 2 6 6 8 14 15 6 4 8 2 2 0 1 1 1 1 4 24 13 2 6 4 4 2 2 1 3 1 1 1 1 2 12 10 1 2 4 2 1 3 1 1 1 1 3 3 15 2 5 3 1 1 1 1 15 6 4 2 3 4 6 2 2 5 8 18 6 8 9 8 6 12 13 22 23 21 55 24 34 61 16 9 6 19 5 2 2 4 7 24 28 18 6 2 5 4 2 1 1 1 1 2 4 1 2 6 10 20 28 58 17 16 25 9 13 20 15 2 3 31 11 3 1 1 2 29 4 5 49 74 5 2 6 23 23 21 4 3 5 13 4 2 2 1 2 1 5 5 4 4 18 9 1 6 2 16 1 1 1 0 0 0 1 1 0 1 1 0 0 0 1 1 0 1 1 0 0 0 0 0 0 1 1 0 1 0 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 2 2 3 2 3 7 12 21 15 21 32 4 2 3 2 2 0 1 2 1 0 1 2 1 0 3 20 100 16 15 7 8 95 43 4 8 5 2 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 s 1H \| 84 83 t 1H J 22 \| 82 81 q 1H J 17 \| 81 80 ddd 1H J 11 22 93 \| 79 79 ddd 1H J 13 22 82 \| 78 77 dd 1H J 82 94 \| 75 75 m 2H \| 74 73 m 2H \| 65 64 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccccc1S(=O)(=O)OCC1COC(C)(C)OC1	ir: 2 13 13 11 1 10 21 15 7 9 10 10 16 28 31 4 9 32 8 3 2 4 5 1 1 4 4 1 1 6 9 3 2 17 18 3 2 7 5 3 10 68 61 14 3 8 5 3 11 13 4 3 3 6 5 1 4 10 7 8 6 6 5 6 29 29 21 16 23 32 28 31 10 7 5 12 11 6 2 2 10 19 8 22 25 39 100 52 11 7 13 9 7 11 12 3 13 25 12 6 10 10 5 7 14 36 26 18 11 10 5 8 18 9 5 4 7 8 6 7 9 4 4 7 8 9 6 7 22 11 12 8 5 4 2 4 16 16 1 7 23 15 5 4 5 1 2 7 27 26 3 5 4 2 3 5 4 1 5 6 4 0 2 5 3 0 3 5 3 0 3 5 3 0 3 6 3 0 3 5 2 0 3 5 2 1 4 5 2 1 4 5 2 1 4 4 2 1 4 4 1 2 4 4 1 2 4 4 1 2 5 4 1 2 5 3 1 2 5 3 0 2 5 3 0 3 6 3 0 3 5 3 0 3 5 2 0 3 5 2 1 3 5 2 1 4 5 2 1 4 4 2 1 4 4 2 1 4 4 1 2 5 4 1 2 5 5 2 2 5 7 6 4 8 4 3 6 5 5 8 8 9 7 20 45 22 23 28 20 11 4 1 4 5 3 1 4 5 3 2 3 5 3 2 4 5 2 2 4 4 2 1 4 4 1 2 4 4 1 2 4 4 1 2 4 3 1 2 4 3 1 2 5 3 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 5 3 1 3 5; 1HNMR: 78 77 m 1H \| 75 74 m 2H \| 74 74 m 1H \| 42 42 d 2H J 62 \| 39 38 dd 2H J 55 114 \| 37 36 dd 2H J 55 114 \| 26 25 s 3H \| 22 21 m 1H \| 14 14 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(COc2ccc(S(=O)(=O)C=CC=C3CCN(C(=O)O)CC3)cc2)c2ccccc2n1	ir: 26 6 9 12 11 11 5 6 14 11 27 26 22 31 19 6 11 13 9 10 3 13 64 100 69 38 18 9 6 16 5 4 10 9 6 5 3 4 2 14 4 10 8 81 18 5 5 13 9 8 7 3 4 8 27 29 6 9 7 10 6 4 10 12 14 20 24 18 15 9 14 23 14 19 15 16 6 37 40 13 10 10 33 23 18 68 13 14 22 13 7 7 8 5 3 5 10 14 9 8 5 4 3 6 6 8 7 7 5 7 12 10 7 5 4 13 7 7 7 23 12 12 18 21 31 27 11 6 9 7 10 11 12 9 6 11 11 5 4 6 4 4 16 4 5 5 8 62 18 35 75 17 8 7 4 5 36 6 6 50 10 33 5 4 22 3 13 3 2 3 2 3 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 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 3 2 2 2 2 2 2 3 3 3 5 3 4 3 3 6 6 4 8 5 5 5 4 12 23 28 28 19 33 72 34 12 11 4 6 7 6 0 45 51 28 8 2 1 3 4 2 2 3 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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; 1HNMR: 99 99 s 1H \| 81 80 m 1H \| 80 79 dd 1H J 13 73 \| 79 78 m 2H \| 77 77 td 1H J 13 71 \| 75 74 ddd 1H J 13 70 84 \| 72 72 m 1H \| 71 70 m 2H \| 70 69 m 1H \| 67 67 dd 1H J 15 180 \| 64 64 ddq 1H J 9 17 94 \| 54 54 d 2H J 7 \| 36 35 ddd 2H J 37 56 115 \| 34 34 ddd 2H J 37 57 115 \| 26 25 m 4H \| 25 25 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)N1C[C@@H](N)[C@@H](n2ccnn2)C1	ir: 1 1 1 3 2 4 2 2 1 5 8 11 2 1 1 1 0 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 0 0 0 0 1 1 1 1 1 1 2 4 3 1 2 1 1 2 1 1 1 1 0 1 0 2 1 2 2 3 3 3 5 5 4 6 10 14 12 5 5 2 1 2 4 12 14 2 7 6 6 3 2 1 1 1 1 2 2 2 3 1 1 1 1 1 1 1 3 3 1 2 2 3 2 1 1 1 1 3 10 14 3 3 3 0 2 2 2 3 3 2 2 3 2 3 4 10 11 16 24 7 7 3 3 1 1 1 0 1 2 11 2 1 1 1 1 9 11 4 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 2 1 1 1 1 2 3 1 1 4 7 5 1 2 2 1 2 4 7 3 1 1 1 1 1 2 5 11 11 22 7 3 3 4 37 100 64 5 1 2 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 d 1H J 28 \| 77 76 d 1H J 27 \| 44 43 m 1H \| 42 42 dd 1H J 20 130 \| 40 39 m 3H \| 37 36 m 1H \| 27 27 d 2H J 59 \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ncnn1C(=S)NCCCCCO	ir: 2 4 3 3 5 4 2 4 7 2 1 3 3 4 13 40 59 9 10 16 5 3 16 15 14 6 14 6 7 5 10 35 40 12 5 2 3 6 6 5 5 1 2 4 2 2 2 3 1 2 2 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 3 2 3 5 2 1 4 5 8 3 3 4 6 5 4 17 14 8 8 6 5 34 4 3 2 2 2 1 1 2 2 4 14 3 2 3 9 13 4 3 2 2 2 2 1 1 3 3 6 6 3 2 4 2 3 2 5 5 1 2 2 2 4 15 2 1 1 0 0 1 2 1 4 4 38 23 3 5 3 4 5 12 13 63 24 5 1 1 1 1 0 0 1 1 1 1 0 1 1 0 0 1 0 0 0 0 0 0 1 1 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 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 1 2 3 1 1 2 2 1 1 2 2 5 2 2 2 2 0 1 2 3 5 4 14 6 3 2 3 1 2 2 2 2 28 23 3 2 1 10 24 19 15 8 5 4 5 100 6 4 2 1 1 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 t 1H J 48 \| 80 80 s 1H \| 75 75 s 2H \| 36 35 q 2H J 58 \| 35 34 q 2H J 48 \| 26 26 m 1H \| 17 16 tt 2H J 48 72 \| 16 15 ttd 2H J 9 58 73 \| 15 14 pd 2H J 13 75	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1S(=O)(=O)c1ccccc1	ir: 2 2 11 3 2 3 5 2 12 13 24 26 3 7 59 6 3 7 1 2 5 1 0 1 1 1 5 2 2 2 8 30 4 7 10 18 7 2 18 2 3 5 1 1 2 2 1 1 2 1 4 2 2 10 12 6 1 6 1 2 1 0 1 2 3 22 15 11 11 6 10 3 12 1 1 2 0 1 3 2 1 8 18 5 7 15 10 8 100 31 3 2 1 2 4 12 3 1 6 6 10 3 2 1 0 1 5 3 3 7 14 5 3 3 6 4 6 5 5 2 3 7 3 1 2 2 5 5 2 1 3 3 1 3 7 7 1 1 1 1 1 2 8 7 2 1 1 1 0 1 2 1 1 1 1 1 0 1 8 0 1 1 1 3 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 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 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 2 5 5 4 9 33 7 8 13 1 1 0 1 1 1 1 1 1 0 0 0 1 0 1 1 27 1 1 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 0 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; 1HNMR: 84 83 d 1H J 22 \| 79 79 m 2H \| 79 78 dd 1H J 22 92 \| 77 77 dp 1H J 8 18 \| 76 75 m 4H \| 73 72 ddd 1H J 9 17 38 \| 70 69 dd 1H J 18 38 \| 63 62 t 1H J 59 \| 41 40 tt 2H J 8 60 \| 31 30 q 2H J 57 \| 26 26 d 3H J 10 \| 20 19 p 2H J 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)n1cc(CI)c(I)n1	ir: 3 6 1 10 13 7 5 4 2 3 4 3 1 2 4 4 1 3 5 3 6 4 3 5 5 2 3 1 2 11 3 1 3 3 4 3 2 4 4 4 4 5 9 3 2 3 3 3 2 3 3 0 2 3 2 2 3 8 17 1 5 40 25 7 4 3 2 1 3 4 1 1 5 4 1 1 2 2 1 1 2 3 2 4 15 5 5 75 27 7 4 2 3 2 2 4 6 8 3 3 5 3 19 19 6 2 2 5 10 30 1 4 4 2 2 3 6 13 8 38 20 40 29 12 5 7 10 5 23 59 81 17 9 3 2 2 3 4 4 4 3 2 1 3 3 1 1 2 2 0 1 2 2 1 1 3 1 0 1 2 1 0 1 2 1 0 1 3 1 0 1 3 1 0 1 2 1 0 1 3 1 1 2 2 1 0 1 2 1 1 1 2 1 0 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 0 1 2 1 0 2 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 3 6 7 13 8 5 11 19 5 6 7 4 7 12 22 63 100 46 33 35 7 6 5 6 4 1 2 2 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 73 73 t 1H J 8 \| 47 46 d 2H J 9 \| 17 17 s 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(N2CCN(C(=O)OC(C)(C)C)CC2)nn2c(I)c(-c3ccc(F)cc3)nc2c1C	ir: 11 5 5 8 27 4 6 6 4 5 6 5 5 3 3 3 1 5 2 2 1 3 2 2 3 2 1 2 2 2 3 2 2 4 2 1 1 2 3 2 2 3 2 3 2 2 3 1 1 7 4 0 6 37 71 39 15 5 4 6 6 6 12 4 5 4 2 4 7 20 6 2 2 2 4 1 3 4 3 2 3 2 2 9 9 9 4 4 5 5 3 1 8 2 2 1 5 6 10 10 8 7 8 5 5 2 1 1 2 2 6 3 9 21 11 14 9 16 26 29 21 20 32 10 14 6 10 8 9 21 23 5 9 7 2 8 3 5 4 8 7 6 5 5 3 13 16 36 20 5 3 5 6 3 2 2 2 1 1 2 1 1 1 1 1 0 2 2 1 0 1 2 2 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 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 2 1 1 2 4 3 3 7 11 4 6 9 7 10 14 8 5 5 10 17 22 45 100 25 55 15 43 21 6 4 4 4 2 0 2 1 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 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 77 77 m 2H \| 72 71 m 2H \| 37 36 dd 4H J 39 57 \| 36 36 dd 4H J 39 57 \| 26 26 s 3H \| 21 21 s 3H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCC(NC(=O)c2cc(Cl)ccc2F)CC1	ir: 4 3 4 2 3 6 6 3 2 2 1 1 2 3 2 3 1 1 1 1 1 9 2 2 4 18 4 3 5 3 7 8 8 1 1 1 1 1 2 1 3 5 6 15 100 13 3 3 3 1 1 2 1 5 50 6 2 1 2 2 1 1 2 2 1 1 2 4 6 5 3 3 2 1 4 13 8 4 3 10 20 18 3 1 4 2 1 2 9 8 3 2 1 2 3 1 1 7 18 3 3 2 1 2 2 5 4 2 1 7 8 5 3 2 2 2 2 3 3 3 2 2 4 1 2 2 4 5 5 8 3 2 2 2 4 0 7 2 1 2 1 2 1 2 4 9 17 97 11 3 3 5 9 4 10 1 1 1 1 1 1 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 1 1 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 2 2 3 3 3 2 2 5 3 11 23 10 4 3 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 3 6 8 35 6 9 7 4 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; 1HNMR: 80 80 dd 1H J 25 36 \| 75 74 ddd 1H J 25 37 73 \| 74 73 dd 1H J 72 101 \| 69 69 d 1H J 79 \| 39 38 dp 1H J 45 79 \| 29 28 ddd 2H J 61 88 126 \| 25 24 ddd 2H J 60 88 126 \| 24 23 s 2H \| 20 19 dddd 2H J 44 60 88 130 \| 18 17 dddd 2H J 44 60 88 130	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@@](C)(CO)c1ccc2cc(OC3CCC4(CCCCC4)CC3)ccc2c1	ir: 2 4 1 3 4 3 2 3 2 6 4 14 3 4 3 2 2 3 3 4 2 2 2 2 3 2 3 6 11 6 3 5 7 44 50 16 10 6 7 3 2 2 2 2 2 3 1 2 3 2 3 3 5 20 23 4 4 0 2 4 4 1 2 3 2 2 5 3 8 5 7 4 1 3 3 4 2 3 5 4 1 1 4 4 1 4 20 13 24 31 4 9 14 12 12 4 4 3 6 4 4 3 4 5 2 6 2 3 3 4 4 3 3 6 6 5 3 4 5 5 3 5 2 6 2 3 2 4 5 9 4 8 5 2 2 2 2 1 1 1 2 3 16 33 9 3 3 3 5 23 16 4 2 2 2 5 4 5 14 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 2 3 3 1 3 6 2 1 2 4 3 1 5 20 30 12 9 31 20 6 5 2 2 3 5 32 5 3 2 2 1 2 2 2 1 0 2 2 2 0 4 30 100 8 1 1 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 77 77 m 2H \| 76 75 dd 1H J 23 83 \| 75 74 m 1H \| 71 71 m 1H \| 70 69 m 1H \| 67 67 s 1H \| 45 44 m 2H \| 42 42 dd 1H J 60 119 \| 36 36 t 1H J 61 \| 20 19 dddd 2H J 48 61 81 142 \| 18 18 s 2H \| 16 15 dddd 2H J 46 58 84 139 \| 15 15 m 2H \| 15 13 m 12H \| 14 14 s 10H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1	ir: 16 15 13 13 5 8 5 3 3 3 4 16 17 4 10 11 23 10 6 10 0 4 4 4 7 6 9 11 16 26 23 25 25 28 35 35 33 77 27 25 30 9 8 8 3 3 4 2 2 3 5 5 6 5 5 2 5 3 13 6 7 4 5 12 9 3 28 9 9 15 11 12 2 3 2 4 5 5 5 4 6 10 3 2 3 12 6 6 14 10 4 4 5 5 4 3 3 5 17 9 4 2 5 43 18 21 8 5 4 2 2 2 4 5 9 29 23 5 7 11 8 12 6 5 3 3 3 5 12 34 19 23 17 26 18 38 17 6 5 4 4 3 9 15 63 27 23 8 28 66 72 20 12 6 3 2 2 2 1 3 2 2 2 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 2 1 2 2 2 2 6 8 6 3 4 11 38 10 21 25 35 82 31 19 10 3 3 4 5 3 3 4 2 2 3 4 4 2 3 2 3 3 5 10 13 100 59 18 5 4 3 2 2 2 2 2 2 2 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 m 5H \| 57 56 d 1H J 90 \| 51 51 s 2H \| 46 45 ddtd 1H J 11 58 77 88 \| 37 36 s 2H \| 30 29 dtd 1H J 11 66 77 \| 21 18 m 3H \| 18 17 dtd 1H J 59 84 124	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCCOc1ccc2c(c1)cc(C)n2C1CCCC(CC(N)=O)C1	ir: 1 2 2 2 3 3 2 1 4 6 6 8 2 4 2 2 3 3 3 5 7 14 8 10 4 6 14 6 2 4 12 14 5 2 2 1 1 1 1 2 3 2 4 2 4 6 5 7 10 2 3 2 3 4 13 2 2 2 2 0 2 1 4 2 2 4 5 5 7 5 14 5 3 3 3 1 6 6 2 1 1 1 1 0 1 1 1 0 1 2 1 1 2 2 1 1 1 1 2 4 2 2 5 7 12 5 2 4 6 6 2 3 3 9 7 9 4 4 6 3 4 4 5 3 6 2 2 3 2 1 2 2 4 2 1 1 2 1 1 1 1 2 3 9 42 6 6 5 1 1 1 2 8 5 1 6 16 31 30 16 8 2 1 1 2 1 1 0 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 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 0 1 1 1 1 3 1 0 2 2 3 2 3 3 2 2 2 1 2 4 12 6 7 15 9 6 7 1 1 1 0 0 1 1 1 0 1 1 2 8 11 17 6 2 2 1 1 1 1 1 2 3 7 97 100 9 4 2 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 71 71 dd 1H J 8 79 \| 70 69 m 2H \| 66 65 s 2H \| 57 57 d 1H J 21 \| 42 41 q 2H J 66 \| 41 40 m 3H \| 25 24 m 3H \| 23 22 m 1H \| 22 22 s 3H \| 21 20 tt 2H J 63 88 \| 20 19 m 3H \| 17 15 m 5H \| 14 13 ddt 1H J 58 81 134 \| 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.
CCOC(=O)c1cc(-c2cccc3cc(Cc4cccc(C(F)(F)F)c4)sc23)ccc1C	ir: 3 7 6 3 7 5 6 3 15 4 7 8 10 7 2 1 4 3 2 1 1 1 2 2 1 1 1 0 0 2 4 6 6 5 10 9 5 3 2 2 2 1 1 2 3 18 15 27 18 14 5 11 18 19 17 3 2 1 1 1 2 2 1 1 1 1 1 5 17 14 11 8 5 9 4 3 1 1 4 3 8 5 3 1 5 9 1 2 4 14 67 13 12 7 4 8 3 3 12 51 4 1 1 1 1 2 6 4 3 16 11 2 3 30 14 7 5 12 35 6 5 2 3 12 8 11 26 9 16 4 5 3 4 2 1 1 1 5 26 9 38 5 20 4 6 8 19 32 9 9 5 3 3 5 6 11 23 1 2 11 2 1 1 1 5 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 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 0 1 1 0 0 1 1 0 1 1 2 1 1 2 1 3 2 3 1 1 2 3 4 10 16 6 53 100 60 56 16 4 3 2 2 1 1 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 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 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 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; 1HNMR: 83 83 d 1H J 22 \| 81 80 d 1H J 76 \| 78 77 dd 1H J 22 73 \| 77 76 dd 1H J 21 83 \| 75 74 m 4H \| 73 73 dq 1H J 10 83 \| 73 72 dq 1H J 6 22 \| 71 71 dtt 1H J 8 20 60 \| 43 43 q 2H J 64 \| 43 42 q 2H J 9 \| 25 25 d 3H J 10 \| 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.
C[C@H](NC(=O)OC(C)(C)C)C(=O)c1ccccc1Cl	ir: 2 1 1 1 0 1 2 1 1 2 1 1 0 1 0 0 0 1 0 0 0 0 0 1 1 1 2 2 1 1 5 34 5 1 1 2 1 2 6 2 7 1 2 7 1 3 1 0 0 0 0 0 0 0 0 1 1 1 0 0 1 1 1 1 2 1 1 0 0 2 0 0 0 2 1 2 1 1 0 0 1 1 2 1 0 0 0 1 1 0 0 0 0 0 0 0 1 1 1 3 1 1 1 0 1 1 1 1 7 1 2 1 2 1 0 0 1 1 3 1 6 7 19 4 3 2 1 3 2 2 1 2 2 3 2 2 7 5 1 1 1 0 1 4 38 100 3 1 38 1 7 0 0 1 1 0 0 1 7 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 0 1 1 1 1 2 2 3 6 3 8 11 18 1 2 1 1 0 1 1 0 0 1 2 1 1 0 1 0 0 0 1 1 1 8 49 13 9 3 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; 1HNMR: 78 78 m 1H \| 75 74 m 1H \| 74 73 m 2H \| 59 58 d 1H J 77 \| 52 51 dq 1H J 62 77 \| 14 14 s 8H \| 14 13 d 3H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C=C(C)N	ir: 10 10 16 7 7 7 2 3 6 3 3 5 4 3 2 5 5 4 6 14 8 4 2 4 4 2 2 3 5 3 2 4 4 3 2 4 3 2 2 3 3 1 3 4 3 2 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 5 4 2 3 4 3 1 4 6 2 1 8 10 9 2 4 4 9 10 5 4 2 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 3 1 2 3 3 3 5 5 2 1 2 3 2 1 2 3 3 2 4 3 2 1 2 3 1 1 2 3 1 1 3 3 2 2 2 3 1 1 2 2 2 2 3 4 8 2 4 4 4 28 27 11 6 2 3 7 11 33 6 2 0 2 4 2 0 2 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 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 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 3 2 1 1 3 2 1 2 4 2 1 2 3 2 1 2 3 2 1 3 7 3 6 4 7 3 1 2 3 3 3 3 3 2 1 2 3 2 1 2 3 2 31 33 6 2 2 2 2 2 2 2 3 8 38 100 7 2 1 3 2 1 2 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 4 2 1 2 3 2 1 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 2 2 2 1 2 3 2 1; 1HNMR: 86 85 s 2H \| 44 43 q 1H J 15 \| 37 37 s 3H \| 21 21 d 3H J 13	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(c1ccc(O)cc1)C1CCN(CCC#Cc2ccccc2)C1	ir: 3 4 3 12 4 14 14 6 14 7 6 5 23 11 16 7 3 1 2 2 3 2 2 0 9 1 1 1 2 1 0 7 9 3 21 9 2 14 14 19 6 6 9 2 4 2 5 10 1 2 4 1 2 9 28 15 10 4 6 2 2 3 5 3 2 9 7 5 12 26 1 2 7 2 1 4 6 15 5 18 9 8 11 78 25 31 10 8 20 11 2 3 2 3 3 2 1 3 20 13 8 2 1 12 3 5 5 2 3 1 1 2 2 2 0 1 2 1 1 18 13 3 2 2 4 11 5 2 1 1 1 1 2 5 14 18 4 1 0 1 1 1 3 15 1 5 11 11 7 19 5 3 6 2 1 1 1 0 1 2 6 6 0 0 1 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 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 1 1 0 0 1 1 1 1 1 1 2 2 1 1 1 1 1 2 3 2 2 1 2 5 21 4 3 16 8 52 72 23 8 6 4 1 3 8 100 13 2 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 2 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 s 1H \| 78 77 m 2H \| 74 73 m 5H \| 70 69 m 2H \| 36 36 tt 1H J 55 64 \| 32 32 m 1H \| 30 29 m 2H \| 28 27 m 2H \| 27 26 m 1H \| 26 25 m 2H \| 23 22 m 1H \| 20 19 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1nc(-c2cccc(C(F)(F)F)c2)cc(C(F)(F)F)n1	ir: 6 4 9 4 4 4 2 3 67 3 1 3 16 16 13 4 13 32 4 2 3 3 2 2 3 3 5 3 3 3 4 10 7 3 3 7 31 5 3 2 2 3 3 2 4 0 3 4 60 7 9 36 4 2 2 3 3 4 3 3 3 2 3 4 4 14 30 38 7 4 5 3 3 3 3 4 4 17 4 6 5 7 19 18 32 36 19 4 3 2 3 3 2 2 3 3 5 34 45 11 9 3 4 8 15 22 10 4 2 4 6 8 28 7 15 6 2 4 4 8 6 9 6 3 10 17 6 3 2 3 3 5 12 7 5 2 2 3 4 1 8 10 66 57 15 3 3 3 2 3 3 2 2 14 6 37 5 2 18 3 3 3 3 6 9 4 4 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 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 3 2 2 3 2 2 2 2 3 2 3 3 2 2 2 3 2 3 3 3 3 4 11 27 10 12 16 100 21 6 5 8 3 2 3 3 2 2 2 3 2 2 2 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 83 83 q 1H J 16 \| 82 82 t 1H J 20 \| 78 78 m 2H \| 76 76 dt 1H J 22 69 \| 35 34 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1cncc(N2CCOCC2)c1	ir: 3 3 5 18 35 23 4 4 7 12 29 31 23 5 3 8 2 2 1 4 6 3 1 2 2 3 1 2 6 9 9 4 9 11 10 7 2 1 1 1 0 0 1 3 1 0 1 1 1 1 3 5 1 1 2 2 2 2 1 1 2 6 3 3 4 5 8 10 6 2 1 3 9 10 3 1 1 1 1 2 9 2 2 1 1 1 10 5 1 1 1 1 2 1 1 3 4 4 4 3 1 1 0 2 12 2 3 1 1 3 2 13 15 8 6 2 1 2 1 1 1 3 2 7 6 4 4 2 2 2 1 3 2 3 2 1 2 6 6 35 100 52 7 6 3 3 1 1 1 0 1 1 5 3 1 0 0 0 0 3 1 0 1 5 7 2 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 1 1 1 0 0 0 0 0 0 0 1 1 1 1 1 1 0 1 1 0 0 3 1 3 4 4 3 1 1 1 1 1 0 1 1 0 0 1 2 1 1 1 4 2 14 19 23 10 16 36 38 11 2 2 1 2 1 1 1 1 1 2 5 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 t 1H J 16 \| 78 77 t 1H J 16 \| 66 65 t 1H J 17 \| 61 61 q 1H J 51 \| 38 37 m 4H \| 34 34 m 4H \| 29 29 d 3H J 51	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Nc2cc3c(c(C(F)(F)F)c2)N(C)[C@H]2CCNC[C@@H]32)cn1	ir: 2 3 3 4 7 2 2 4 7 5 4 2 3 3 5 8 6 7 9 2 4 2 7 12 24 13 10 8 11 14 4 5 3 3 6 5 3 3 3 2 9 3 3 3 1 2 1 1 2 2 2 1 4 10 28 6 7 6 3 1 2 1 2 3 7 7 7 4 8 13 6 7 5 9 2 2 1 1 1 2 1 1 2 3 2 1 1 2 2 1 2 2 1 2 4 5 4 3 3 32 2 2 2 1 3 3 3 12 3 1 3 2 2 4 14 8 35 19 3 5 7 7 8 7 2 4 1 11 23 9 4 3 3 3 3 2 10 31 5 3 1 2 2 4 43 33 2 3 2 34 19 2 2 12 3 1 1 3 1 1 1 3 1 1 1 13 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 5 3 8 19 12 4 2 1 2 1 1 1 1 2 1 2 1 4 1 2 2 0 7 42 5 5 17 55 100 18 1 1 2 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 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; 1HNMR: 82 82 s 1H \| 81 80 d 1H J 19 \| 73 73 dd 1H J 18 82 \| 71 71 dq 1H J 9 19 \| 69 69 dd 1H J 7 22 \| 68 68 d 1H J 82 \| 40 39 s 2H \| 37 36 tdd 1H J 15 33 67 \| 33 32 ddd 1H J 37 52 125 \| 32 31 tt 1H J 9 38 \| 30 29 m 6H \| 27 26 tt 1H J 43 53 \| 21 20 dddd 1H J 27 51 64 126 \| 19 18 dddd 1H J 27 37 51 126	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]cc(-c2ccccc2)c2ccccc12	ir: 3 3 5 6 4 6 9 7 7 8 4 3 4 9 4 3 3 3 5 6 4 3 3 4 5 5 4 3 4 6 9 10 7 4 3 6 7 3 13 28 20 37 84 46 15 14 39 43 7 9 4 0 3 8 4 1 3 5 3 2 4 8 4 1 5 9 4 10 23 16 4 4 5 5 3 7 9 5 5 3 5 5 4 4 4 4 3 3 6 9 6 3 4 3 2 10 7 3 2 3 4 3 2 3 14 20 2 3 4 3 2 3 4 3 2 6 4 4 3 4 15 22 10 7 8 15 7 7 7 5 4 15 11 7 11 11 6 5 6 6 5 54 45 9 19 11 7 3 22 32 8 83 49 3 5 4 4 4 88 46 4 3 6 16 7 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 3 3 3 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 3 3 3 3 3 3 3 3 3 3 4 3 4 4 4 5 8 9 17 24 100 87 31 21 22 19 6 4 5 4 4 4 3 4 4 3 3 3 3 5 6 8 9 24 37 36 19 4 3 5 4 3 3 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 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 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3; 1HNMR: 80 79 m 1H \| 77 77 d 1H J 64 \| 76 75 m 2H \| 75 74 m 3H \| 74 73 m 2H \| 73 72 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CBr)NCCCCCCc1ccccc1	ir: 5 4 2 2 3 3 2 2 4 3 5 3 3 4 3 8 3 3 2 2 3 3 5 5 6 10 4 23 97 18 60 7 21 7 4 8 6 7 31 100 34 16 18 4 13 18 6 3 5 4 5 2 3 4 3 0 2 3 2 1 2 2 2 2 2 6 2 4 4 3 3 3 4 2 2 3 3 5 10 1 3 2 2 1 2 2 2 2 3 14 4 2 3 2 5 3 5 3 6 3 2 2 2 2 2 3 4 4 8 8 2 4 17 6 2 3 4 4 8 10 6 21 6 7 6 4 1 3 3 2 1 3 6 5 5 72 3 4 3 2 4 5 7 24 22 18 31 16 5 3 2 6 3 3 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 4 14 6 5 5 2 1 3 4 5 5 12 14 12 43 22 17 5 3 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 4 9 11 43 52 22 28 3 2 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 73 72 m 3H \| 72 71 ddt 2H J 9 17 78 \| 70 69 t 1H J 48 \| 39 39 s 2H \| 32 31 td 2H J 48 56 \| 26 26 tt 2H J 9 79 \| 17 16 m 2H \| 15 14 ttd 2H J 8 55 76 \| 14 13 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(Nc2cc(Cc3ccccc3)nc(Cl)n2)ccc1-n1cnc(C)c1	ir: 2 2 3 3 2 2 3 3 2 3 3 5 6 2 3 3 2 2 3 2 2 3 2 3 2 3 2 2 2 4 4 6 6 5 3 3 5 3 5 7 15 3 3 3 3 4 4 4 4 2 2 2 3 4 8 17 5 3 3 3 3 2 2 2 3 3 3 8 6 6 4 3 3 3 6 5 3 4 3 3 3 2 3 3 2 2 2 3 2 10 3 3 3 3 5 5 4 3 4 4 4 3 4 4 5 6 9 6 7 13 3 3 2 3 3 3 3 3 3 4 4 3 3 3 3 2 2 4 2 3 4 3 2 2 2 19 3 2 2 3 4 2 8 8 3 5 3 3 3 2 2 11 13 4 4 2 6 2 4 3 2 0 3 2 4 3 3 2 2 2 2 2 2 2 9 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 3 3 2 2 3 5 3 3 3 3 2 4 14 14 5 13 100 15 12 5 4 3 3 3 3 2 2 2 2 2 2 2 3 2 2 2 3 3 3 5 5 22 4 3 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; 1HNMR: 85 85 s 1H \| 79 79 d 1H J 16 \| 77 76 d 1H J 80 \| 75 74 m 1H \| 72 71 m 6H \| 69 69 d 1H J 22 \| 64 63 t 1H J 9 \| 41 41 d 2H J 8 \| 39 39 s 2H \| 23 23 d 3H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCN(c2nc(-c3cccs3)ns2)CC1	ir: 14 7 9 15 23 29 20 8 16 97 16 28 38 7 18 6 14 13 4 2 1 6 5 29 3 5 3 1 1 2 2 2 3 8 16 4 4 8 6 2 3 13 12 3 3 2 2 46 19 31 14 12 4 0 2 8 3 6 4 3 3 8 6 26 14 12 3 1 2 2 1 1 2 19 4 17 7 2 4 7 7 4 2 2 6 6 7 4 3 2 5 3 4 6 8 20 14 3 1 1 4 2 3 6 4 42 8 5 3 6 8 17 25 44 26 13 10 11 61 56 20 23 61 19 8 4 29 24 17 14 15 14 10 24 45 31 12 4 6 4 5 3 4 3 3 2 3 6 44 18 100 44 13 5 12 0 1 1 1 0 1 1 1 0 0 1 1 1 1 1 0 0 0 0 1 0 1 1 1 0 1 1 0 0 0 1 0 1 0 1 0 0 0 0 1 0 1 0 0 0 0 0 0 1 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 1 0 0 0 0 1 0 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 0 1 0 1 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 5 6 5 7 5 3 6 11 3 4 7 2 6 14 14 60 15 60 44 72 22 6 1 1 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 0 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 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; 1HNMR: 78 78 dd 1H J 17 50 \| 76 76 dd 1H J 16 79 \| 73 72 dd 1H J 50 80 \| 38 37 m 4H \| 37 36 t 4H J 47 \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(=O)NC2(C(=O)O)CCCCCC2)c(F)c1OCCc1cccc(C)c1	ir: 2 1 2 2 1 1 2 4 0 3 7 7 6 5 7 3 2 6 5 12 73 82 7 7 6 6 6 4 4 2 3 6 4 2 4 4 6 5 5 2 2 1 3 5 12 21 28 3 7 3 2 1 1 3 2 3 3 5 1 1 2 1 1 2 3 1 2 3 5 6 6 6 4 7 5 12 11 3 19 25 6 6 3 2 1 12 5 11 11 1 1 3 1 1 3 1 1 2 3 2 0 1 2 1 1 2 1 2 1 2 1 3 9 4 2 8 1 5 3 3 1 3 2 1 2 2 2 4 3 3 1 1 1 3 2 3 3 1 3 8 24 13 2 11 61 29 7 3 1 0 2 2 2 1 9 21 1 0 0 0 2 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 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 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 1 2 2 2 3 1 1 1 2 2 4 9 5 18 23 9 1 0 1 1 0 1 2 4 100 25 3 2 0 1 1 1 1 1 3 1 2 1 5 9 20 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 80 80 s 1H \| 77 76 dd 1H J 51 82 \| 72 71 t 1H J 77 \| 71 70 ddq 1H J 9 20 76 \| 70 70 dtd 1H J 7 14 79 \| 70 69 q 1H J 16 \| 68 67 d 1H J 84 \| 43 42 t 2H J 59 \| 39 38 s 2H \| 29 28 tt 2H J 8 59 \| 23 23 m 2H \| 22 21 m 2H \| 20 19 m 2H \| 16 15 m 1H \| 16 15 m 1H \| 15 14 m 1H \| 15 14 m 5H \| 14 14 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1ccc2c(c1)N(C)C(=O)CO2	ir: 3 5 3 5 10 6 7 9 5 5 4 4 7 4 4 7 6 8 5 3 7 8 11 7 5 3 6 5 12 25 21 25 6 4 4 6 12 9 6 6 4 3 3 3 3 3 3 3 4 4 4 4 5 20 28 25 30 13 4 3 6 6 4 4 8 34 13 17 14 9 8 7 6 4 4 5 3 3 4 3 3 3 3 3 3 3 3 3 3 3 4 5 6 5 5 3 3 9 6 4 3 3 3 3 4 9 5 9 8 15 18 10 7 4 4 5 9 11 8 17 16 18 11 17 8 41 29 24 10 20 3 5 5 5 4 4 3 5 4 4 4 4 25 50 10 20 8 0 49 100 12 5 6 4 5 20 8 9 3 4 3 2 3 3 4 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 7 5 6 4 5 6 5 10 21 16 46 34 56 36 5 7 6 5 8 5 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 79 d 1H J 22 \| 78 78 dd 1H J 22 88 \| 70 69 d 1H J 87 \| 48 47 s 2H \| 36 35 s 3H \| 26 25 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(C(C)c2ccc(-c3ccccc3)c(F)c2)cs1	ir: 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 2 2 3 4 2 1 2 1 3 3 3 6 2 1 2 1 2 4 5 4 7 44 11 3 1 3 6 5 1 1 1 1 1 1 5 2 5 2 2 2 1 2 1 1 1 1 4 7 8 12 6 4 4 1 2 2 2 2 3 2 1 1 1 2 1 4 10 9 5 12 7 2 2 1 1 2 2 3 9 3 5 6 16 11 6 2 2 2 1 1 2 5 3 4 1 3 2 8 5 3 5 4 2 3 2 6 6 6 17 12 2 4 3 5 12 4 3 2 3 12 40 5 4 2 3 3 10 3 6 6 3 2 3 3 2 1 1 0 2 1 1 0 0 4 2 0 1 1 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 2 3 3 3 3 2 1 1 1 2 2 4 7 7 4 5 14 23 11 50 100 26 33 11 8 3 2 1 2 1 1 1 1 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 dd 1H J 51 79 \| 75 74 m 4H \| 74 73 m 1H \| 71 70 m 3H \| 43 42 m 1H \| 27 26 s 2H \| 16 16 d 3H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1cncc(CCCN2CCc3[nH]c4ccccc4c3C2)c1	ir: 4 7 8 8 8 6 5 16 5 8 3 2 2 3 5 6 4 4 8 10 8 4 13 8 6 6 22 22 8 3 6 29 37 100 34 23 20 5 4 6 13 7 21 23 6 3 5 6 2 0 4 3 4 7 7 6 5 3 4 5 7 10 8 8 8 8 5 5 9 32 28 7 4 1 4 7 5 12 24 9 9 8 26 59 57 3 3 2 2 2 3 4 3 2 3 8 19 27 26 8 8 10 15 6 6 7 51 50 7 8 6 18 15 7 7 4 5 10 9 5 2 12 24 18 9 11 6 6 8 4 3 7 8 4 4 4 8 18 17 43 33 2 5 6 7 6 4 8 5 3 4 13 8 39 48 32 7 6 98 48 20 8 6 2 2 4 2 1 2 3 2 0 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 2 2 2 3 2 4 6 5 2 4 5 3 5 9 14 27 27 40 59 60 42 11 3 3 6 5 5 3 2 3 3 2 2 2 2 3 4 3 3 2 2 6 26 55 44 30 15 6 5 4 3 2 2 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1; 1HNMR: 88 88 s 1H \| 85 84 m 2H \| 75 74 m 2H \| 72 72 m 2H \| 72 71 td 1H J 25 73 \| 71 70 td 1H J 22 71 \| 40 40 s 2H \| 30 30 m 2H \| 28 27 m 2H \| 28 26 m 4H \| 19 18 tt 2H J 61 94	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
ClCc1nnc(C2CCC2)o1	ir: 22 14 16 16 21 25 13 10 15 21 17 14 15 10 4 6 7 7 10 6 12 13 17 8 17 11 4 5 4 4 4 5 6 28 15 7 5 4 4 5 6 5 16 31 8 8 7 6 9 14 7 12 8 7 9 6 6 17 7 9 6 28 17 14 20 17 10 6 6 5 6 5 4 4 5 5 9 4 6 5 4 4 5 5 5 4 5 5 6 5 5 6 4 9 6 5 5 6 18 16 0 100 22 14 9 10 6 6 5 5 6 10 10 15 11 16 12 6 7 10 37 12 49 28 21 13 11 24 23 19 10 13 27 24 9 51 51 26 47 30 6 14 12 17 29 17 15 7 5 6 5 4 3 5 5 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 4 4 5 4 3 4 5 4 4 4 5 4 3 4 5 4 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 4 4 3 4 4 4 4 5 5 4 4 4 4 4 4 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 5 5 5 5 7 7 5 23 12 16 17 17 6 17 36 19 22 33 33 9 4 4 5 4 3 4 5 4 3 4 5 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 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 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3; 1HNMR: 50 50 s 2H \| 33 32 p 1H J 57 \| 24 23 m 2H \| 21 20 m 2H \| 19 17 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(C)(C)c1ccc(N2C(=O)N(Cc3ccnc(Cl)c3)C(C)(C)C2=O)cc1	ir: 4 4 2 2 6 2 2 3 5 7 7 3 3 2 1 6 4 4 3 5 2 1 1 2 6 4 1 2 2 2 2 3 3 2 6 2 2 1 1 3 2 1 2 3 5 2 32 5 2 3 5 4 3 1 16 13 4 4 6 7 2 1 2 4 5 3 3 3 3 2 3 2 2 4 7 12 3 1 2 6 2 2 3 4 10 6 5 5 3 3 3 2 1 2 6 5 4 3 6 2 1 2 3 7 7 11 2 2 5 8 5 6 1 3 3 5 3 2 4 7 5 4 7 7 5 2 2 2 3 5 6 6 14 6 2 5 6 2 1 2 2 2 1 3 7 34 5 9 42 4 14 64 13 2 2 14 100 13 3 34 2 4 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 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 0 1 2 1 0 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 2 1 1 1 2 1 2 2 2 1 1 1 2 2 1 1 2 2 1 4 6 10 8 12 24 11 6 4 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 84 d 1H J 44 \| 74 73 m 2H \| 73 73 ddd 1H J 10 21 44 \| 73 72 m 2H \| 71 71 dt 1H J 10 21 \| 51 51 t 2H J 9 \| 37 37 s 2H \| 15 14 d 12H J 27	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2cccc3n(CCCN)c(=O)c1n23	ir: 6 6 5 7 11 7 7 6 7 7 7 6 7 6 6 6 7 6 6 6 7 6 9 8 7 6 6 9 7 6 7 9 7 14 13 7 7 8 23 10 7 8 7 7 7 9 11 24 53 23 31 11 7 9 8 20 56 90 12 36 15 16 11 6 7 8 10 9 45 51 15 11 17 39 20 9 8 8 8 18 10 21 16 9 6 11 7 7 7 7 6 6 7 6 8 7 7 7 7 6 8 11 6 7 7 7 6 7 10 22 20 10 39 9 10 8 12 9 9 9 6 11 19 25 12 10 8 9 10 12 20 31 26 22 27 29 88 20 25 10 8 14 23 9 5 8 7 5 6 41 6 7 6 8 7 0 100 28 7 14 7 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 6 6 6 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 6 6 10 9 7 7 8 7 7 7 8 8 9 15 10 11 8 22 28 17 10 14 7 8 8 9 10 12 11 28 31 18 27 39 12 16 9 8 22 29 7 7 7 6 7 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6; 1HNMR: 78 77 dd 1H J 14 80 \| 77 76 dd 1H J 64 80 \| 72 72 dd 1H J 14 63 \| 42 41 t 2H J 65 \| 40 40 t 2H J 51 \| 29 28 tt 2H J 56 64 \| 27 26 s 2H \| 20 19 p 2H J 54	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(/C=C2/c3cc(OC)c(OC)cc3CCN2C(=O)C2CC2)cc1OC	ir: 3 3 1 3 5 3 1 4 5 3 5 3 3 2 1 5 4 2 2 6 5 4 2 4 5 5 2 3 4 2 5 4 4 1 5 4 4 9 11 15 39 9 9 4 4 6 10 5 2 2 4 10 13 9 19 23 9 3 3 6 12 13 9 37 9 7 5 17 24 10 10 8 6 7 8 6 5 1 3 3 1 2 3 8 2 11 10 14 18 7 12 13 9 7 3 4 2 3 5 5 2 2 5 8 2 7 6 3 0 3 4 7 2 3 4 5 15 8 13 4 5 4 4 5 3 5 4 3 10 3 3 6 7 4 4 4 3 3 2 3 7 6 11 9 6 10 26 20 21 18 9 9 7 33 34 4 4 18 4 1 2 5 3 4 2 4 8 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 0 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 2 1 1 2 2 1 3 2 2 2 2 2 3 4 3 4 2 13 11 4 23 14 51 100 44 27 23 12 4 1 3 4 2 0 2 4 1 1 2 3 1 0 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 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 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; 1HNMR: 71 70 dd 1H J 19 89 \| 70 70 d 1H J 18 \| 69 68 d 1H J 89 \| 67 67 m 2H \| 63 62 s 1H \| 41 40 m 2H \| 39 38 m 11H \| 30 30 td 2H J 9 55 \| 24 23 p 1H J 64 \| 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.
CCCCCC1(c2ccc(F)cc2)CNC1	ir: 1 2 2 2 1 2 2 2 2 3 5 2 2 3 2 3 3 2 1 2 2 3 4 2 2 2 2 2 2 2 2 2 2 4 5 4 4 2 3 4 2 3 4 7 6 6 3 2 2 2 2 2 7 70 28 14 10 3 4 4 7 6 9 4 3 3 3 2 4 5 2 2 2 2 2 2 2 2 2 2 5 5 4 3 3 2 2 2 2 3 2 2 2 2 4 6 4 4 4 5 11 7 11 24 44 42 15 7 5 3 3 2 2 3 4 3 2 3 4 4 5 3 2 3 3 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 3 12 6 11 3 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 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 1 2 2 1 2 2 2 1 1 2 1 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 3 6 5 7 12 18 10 9 3 2 3 2 3 2 2 1 2 2 1 1 2 2 1 0 73 45 100 17 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 72 72 m 2H \| 71 70 m 2H \| 37 36 dd 2H J 35 128 \| 35 34 dd 2H J 34 129 \| 24 24 p 1H J 35 \| 19 18 t 2H J 69 \| 14 13 m 3H \| 13 13 m 3H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(OC(C)(C)C)C1=C(c2ccc3c(c2)CCCO3)CCCC1	ir: 5 5 6 4 5 4 4 4 4 2 6 5 6 3 8 5 7 15 1 3 3 1 1 2 5 3 4 3 3 2 2 4 6 6 5 10 10 3 14 16 6 0 1 3 3 1 1 3 3 1 3 16 8 4 33 83 9 6 9 4 3 6 6 17 10 28 6 4 9 31 8 6 11 9 11 22 18 8 4 7 2 2 3 7 11 3 5 4 3 24 5 14 6 3 11 7 6 35 13 5 5 8 17 3 4 4 5 8 5 4 15 36 8 23 11 8 4 18 15 14 8 21 8 23 8 5 15 10 22 33 11 5 5 4 3 3 1 5 2 1 1 5 24 32 54 8 4 3 35 8 4 19 9 3 6 3 2 2 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 2 2 2 2 2 2 2 3 3 8 7 4 7 8 8 10 7 10 8 8 6 14 40 72 22 36 100 32 10 4 5 2 1 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 73 72 m 2H \| 68 68 d 1H J 88 \| 49 48 t 1H J 10 \| 43 41 m 4H \| 29 27 m 4H \| 25 24 m 1H \| 24 23 m 1H \| 20 20 m 2H \| 18 16 m 4H \| 13 12 t 3H J 63 \| 12 12 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1CCN(C)C1c1cc(C)nc(-n2ccnc2)n1	ir: 1 1 2 1 1 5 8 1 1 1 2 2 2 4 9 3 1 3 2 1 1 1 1 1 1 1 1 3 3 12 20 3 3 3 3 5 2 5 4 1 1 2 2 1 7 4 3 2 8 5 28 10 7 3 4 3 2 2 2 2 2 2 13 1 5 7 5 4 3 16 9 12 4 2 13 8 8 2 2 2 2 7 15 3 3 2 1 1 4 6 2 5 2 8 19 3 4 6 6 5 10 5 15 32 14 12 26 13 26 23 13 9 4 5 3 11 18 41 8 8 2 3 3 3 5 5 6 5 5 14 6 4 7 11 1 2 3 1 1 2 2 2 8 3 6 20 3 3 2 1 1 1 1 0 1 1 1 0 1 1 6 11 1 1 1 0 1 2 1 0 1 4 3 3 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 2 3 5 9 2 4 4 3 8 8 7 9 6 11 22 21 25 67 11 19 31 18 36 100 3 2 4 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 89 89 t 1H J 17 \| 83 82 dd 1H J 17 56 \| 77 77 dd 1H J 16 57 \| 70 70 m 1H \| 44 43 m 1H \| 42 41 m 2H \| 32 31 m 2H \| 30 29 ddd 1H J 54 72 119 \| 25 24 s 2H \| 24 23 d 3H J 15 \| 24 23 ddt 1H J 53 73 125 \| 21 20 ddt 1H J 54 73 125 \| 13 12 t 3H J 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCc1csc2c1S(=O)(=O)N=C(c1c(O)c3ccccc3n(Cc3ccccc3)c1=O)N2	ir: 2 4 10 4 5 6 10 7 4 9 12 6 7 6 12 2 1 8 8 4 3 5 4 2 3 6 7 4 3 6 12 23 5 24 22 23 20 7 34 29 16 10 19 7 4 7 4 4 10 11 23 71 16 17 9 3 13 8 6 18 7 5 22 8 5 8 13 4 4 9 8 58 39 19 14 6 6 3 5 9 8 7 12 24 37 57 4 6 6 6 3 2 6 8 2 13 26 44 7 3 5 4 1 4 4 4 3 8 7 8 3 5 5 3 15 3 4 2 1 5 5 16 5 9 6 3 3 5 5 5 9 11 8 16 31 31 17 14 19 4 4 12 7 15 12 47 9 5 16 27 3 6 6 5 20 30 23 12 100 4 4 5 2 8 52 4 5 2 2 1 1 2 1 0 2 2 1 0 1 3 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 3 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 3 1 0 1 2 1 0 2 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 1 2 2 1 2 3 2 2 2 3 2 0 1 4 3 0 3 10 13 60 40 13 32 69 24 9 4 2 3 4 3 6 4 8 8 20 5 6 5 7 7 43 27 8 14 29 21 12 6 5 4 2 2 2 2 1 2 2 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 3 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 85 84 m 1H \| 76 75 m 2H \| 74 73 m 1H \| 73 73 m 2H \| 73 72 m 5H \| 54 53 t 2H J 9 \| 41 40 td 2H J 8 56 \| 29 29 t 2H J 57	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(c1ccc(Br)c(F)c1)N1CCCC1	ir: 1 4 18 8 8 3 3 1 1 7 21 5 3 25 6 2 2 2 16 9 49 3 1 1 1 1 1 1 1 0 1 0 1 6 1 10 0 1 2 2 3 4 2 2 5 1 1 0 1 1 1 0 1 6 38 16 1 1 1 1 4 3 13 24 7 18 21 14 10 3 1 3 2 1 8 8 78 28 4 3 4 3 4 15 68 33 5 28 100 21 31 13 10 12 3 1 0 1 3 9 2 2 1 2 2 3 11 5 8 1 1 2 5 2 1 1 1 1 1 1 1 10 37 36 4 5 2 1 1 1 1 0 0 1 1 0 0 1 13 3 1 0 0 0 1 1 1 22 1 1 1 1 3 2 1 0 0 1 1 3 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 1 1 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 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 1 1 1 1 1 1 18 18 3 25 53 18 4 3 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 dd 1H J 47 106 \| 76 76 dd 1H J 21 105 \| 76 75 dd 1H J 21 121 \| 32 31 dq 4H J 27 47 \| 18 16 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(S(=O)CCCCOc2cccc3c2NC(=O)OC3(C)C)cc1OC	ir: 5 4 1 3 3 4 4 5 2 3 3 3 5 3 2 3 3 4 3 5 3 8 10 17 2 8 5 3 1 12 72 13 3 3 2 6 3 1 5 23 8 4 3 3 5 1 3 17 44 4 4 4 2 7 11 9 6 6 2 1 3 5 11 12 12 8 13 14 27 5 2 7 4 2 2 1 1 1 1 1 1 5 25 2 2 3 2 1 1 2 4 5 2 2 3 3 4 13 9 11 7 2 2 3 5 31 2 2 3 3 0 3 6 4 7 6 5 18 8 16 7 3 5 18 7 4 10 24 18 9 5 2 3 1 1 2 1 1 2 2 10 3 4 3 1 1 1 2 8 48 6 3 4 8 14 17 4 1 2 4 100 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 3 4 4 2 2 2 3 1 4 5 4 15 26 7 18 13 33 8 5 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 46 16 6 1 1 2 1 1 1 1 2 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 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 92 91 s 1H \| 74 74 dd 1H J 22 90 \| 72 71 m 2H \| 71 71 t 1H J 78 \| 70 70 d 1H J 89 \| 69 69 dd 1H J 13 79 \| 39 38 m 8H \| 31 30 m 2H \| 20 18 m 4H \| 18 18 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)N[C@H]1CCc2c(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)ccc(OC)c2C1	ir: 8 10 4 9 10 6 3 10 4 13 28 6 8 11 24 11 5 9 31 15 6 10 7 6 5 17 9 19 22 40 19 9 14 11 16 5 17 10 7 2 2 2 3 6 9 3 1 2 5 2 3 1 3 4 25 30 48 32 5 21 7 3 2 2 5 10 17 21 5 5 7 10 5 8 7 4 2 5 4 4 5 3 2 11 82 13 15 9 20 2 3 2 4 4 13 2 2 7 4 49 57 44 38 9 6 7 5 7 4 8 5 11 80 15 8 4 7 10 10 10 10 3 12 14 22 10 7 3 8 13 5 4 8 6 2 3 2 2 2 2 3 3 2 9 9 5 49 12 14 54 32 9 6 21 2 2 2 1 2 10 2 1 15 5 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 0 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 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 1 3 3 1 2 2 3 1 5 4 15 13 19 56 9 9 5 3 1 5 3 2 1 1 1 1 1 1 1 2 1 1 2 2 2 2 9 70 8 26 100 20 7 3 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 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 0 1 1 0 1 1 1 0 1 1 1 0 0 1; 1HNMR: 79 79 s 1H \| 77 77 d 1H J 97 \| 77 76 dq 2H J 14 74 \| 74 73 m 2H \| 69 69 d 1H J 97 \| 47 47 d 1H J 93 \| 42 41 q 2H J 63 \| 39 38 dtt 1H J 40 67 94 \| 38 38 s 2H \| 33 32 dd 1H J 42 163 \| 31 29 m 3H \| 21 20 dddd 1H J 36 60 86 134 \| 18 17 ddt 1H J 62 86 135 \| 12 12 t 3H J 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Cc1ccc(C2(C)OC(=O)C(O)=C2O)cc1	ir: 3 10 4 2 5 7 10 9 14 24 43 59 34 22 7 8 3 25 15 1 2 4 3 1 0 2 4 1 1 2 2 1 2 3 4 4 4 3 2 1 1 2 1 4 2 3 2 1 3 4 1 1 2 4 7 12 12 10 4 2 8 14 8 3 2 2 1 0 1 3 2 1 3 6 3 0 2 2 0 0 3 17 14 4 4 3 2 3 5 4 5 6 16 24 77 100 54 27 8 4 6 1 2 1 0 1 2 1 1 4 4 2 1 1 1 1 4 9 2 2 6 2 2 2 3 3 11 16 4 4 2 2 1 1 2 2 1 1 1 1 1 1 6 5 1 1 1 2 3 11 5 2 2 3 3 1 9 11 2 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 1 1 2 1 1 2 2 4 8 7 8 13 16 21 5 3 2 2 2 8 47 52 14 4 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 97 97 s 1H \| 73 72 m 2H \| 71 70 dt 2H J 9 81 \| 25 25 dt 2H J 9 70 \| 20 20 s 3H \| 19 18 dp 1H J 70 139 \| 9 9 d 7H J 69	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Oc1cc(C=O)ccc1O	ir: 63 20 7 6 4 6 4 3 6 8 7 6 6 11 14 10 11 15 6 6 6 5 6 7 6 9 7 6 4 9 9 5 1 3 3 1 3 3 3 10 8 3 4 3 1 2 2 1 1 3 2 4 12 2 21 1 1 4 1 3 7 7 3 1 2 4 3 1 4 7 3 1 1 2 1 2 10 11 6 8 6 5 5 4 6 7 2 1 5 5 7 7 10 16 73 84 9 7 32 8 6 2 2 8 28 12 3 4 4 2 0 1 3 1 1 1 3 4 2 2 3 1 1 6 14 34 10 4 3 1 0 2 2 0 0 1 2 1 1 3 3 3 24 53 39 16 6 8 9 7 5 2 1 1 1 2 1 0 1 1 1 0 1 3 2 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 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 2 1 1 2 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 4 3 1 1 2 1 1 2 2 2 1 2 2 4 3 3 2 17 6 23 7 8 20 23 100 37 26 51 15 2 1 1 2 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 3 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 99 99 s 1H \| 76 76 dd 1H J 19 91 \| 76 75 d 1H J 18 \| 70 70 d 1H J 89 \| 70 70 s 1H \| 23 23 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1	ir: 4 25 7 17 8 6 5 8 2 7 3 3 5 3 3 7 1 2 3 3 3 3 6 6 6 6 14 3 3 2 1 5 4 2 2 6 41 21 9 8 2 3 3 1 8 30 11 3 3 3 2 1 3 7 19 7 16 2 15 2 3 2 2 1 4 11 2 2 3 8 4 9 7 13 4 2 4 6 4 4 3 2 1 1 2 5 2 2 3 9 3 2 5 5 2 2 7 5 8 6 3 3 1 4 39 6 13 2 1 2 2 2 2 2 2 1 2 2 2 2 1 2 2 2 1 2 2 4 1 2 2 1 1 1 2 9 2 2 3 3 4 4 3 1 1 7 9 55 12 2 6 16 5 25 31 56 26 12 4 6 5 0 2 9 32 12 3 3 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 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 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 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 2 1 1 1 1 2 1 1 2 2 2 2 2 3 2 1 2 2 2 6 4 8 15 17 22 14 4 2 2 2 2 2 2 2 1 1 2 2 2 2 2 30 21 4 4 6 3 6 29 52 40 4 21 100 40 7 2 2 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 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; 1HNMR: 92 92 s 1H \| 84 83 d 1H J 48 \| 78 77 m 2H \| 75 75 m 2H \| 72 72 d 1H J 48 \| 69 69 m 2H \| 68 68 m 2H \| 45 45 s 2H \| 39 38 m 4H \| 32 32 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(-c2cc(OC)c(Cl)cc2F)ns1	ir: 4 4 2 2 3 2 4 2 2 2 1 3 2 1 1 1 1 1 1 2 3 5 8 8 9 20 70 16 11 2 2 7 4 2 4 4 6 1 5 3 14 42 14 3 2 0 2 2 2 6 23 4 3 2 5 5 2 1 4 3 5 2 3 3 2 3 5 48 42 12 4 6 5 1 4 8 3 2 2 4 8 1 1 2 3 4 1 1 1 1 8 9 4 11 2 1 5 2 2 5 1 1 2 8 0 1 1 1 0 1 1 1 1 2 1 1 4 4 4 5 2 4 2 2 2 7 4 4 1 2 1 1 1 1 2 2 3 7 37 25 3 2 3 5 13 31 4 9 100 11 7 8 30 8 2 0 1 2 1 1 5 11 30 3 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 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 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 4 1 1 1 1 1 1 1 2 2 2 5 7 4 27 47 35 89 18 1 3 5 2 0 1 3 1 0 1 2 1 0 1 2 1 1 1 1 0 1 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 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: 75 75 d 1H J 20 \| 74 73 m 2H \| 39 39 s 3H \| 39 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)CCOc1ccc(Nc2cc(-c3cccs3)[nH]n2)cc1	ir: 9 17 11 5 13 6 4 8 12 4 4 11 5 7 9 3 3 5 6 23 15 22 18 31 57 12 18 3 4 5 2 3 7 5 3 2 3 4 3 6 4 5 5 5 3 3 4 7 6 21 15 7 27 13 24 35 21 8 5 7 2 2 3 3 5 7 3 11 5 16 7 29 23 24 28 7 4 2 4 7 30 6 5 4 5 7 3 14 14 12 3 12 11 5 0 2 4 4 54 14 5 8 19 7 17 37 15 6 9 3 1 2 5 10 13 2 3 3 2 2 3 3 1 4 2 2 2 7 3 2 4 5 9 5 8 4 6 3 25 6 5 38 22 9 2 3 2 5 19 1 2 5 13 20 43 17 6 2 1 3 73 12 2 9 64 2 1 1 1 1 1 1 1 0 1 1 0 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 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 0 1 1 1 1 1 1 1 1 1 1 1 0 1 2 2 1 1 2 4 3 2 2 1 2 3 5 4 10 18 26 25 53 42 12 6 4 3 3 3 1 2 2 1 1 2 2 1 1 2 3 3 2 3 9 16 79 100 19 25 18 5 3 2 2 1 1 1 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 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 0 1 1 0 1 1 1 0 1 1; 1HNMR: 85 85 s 1H \| 74 73 m 2H \| 73 73 m 2H \| 71 71 dd 1H J 50 60 \| 69 69 m 2H \| 62 62 s 1H \| 41 41 t 2H J 52 \| 30 30 t 2H J 52 \| 27 26 q 4H J 69 \| 11 10 t 6H J 69	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2nc(Cl)c(Cl)cc2c1	ir: 2 3 6 4 7 19 6 4 1 3 4 3 1 3 5 2 2 4 4 6 5 13 5 6 6 4 4 8 9 11 5 1 2 6 22 3 10 6 3 1 2 4 3 2 2 7 15 27 3 4 3 2 3 5 11 28 88 47 21 4 5 8 6 1 6 13 15 8 6 7 4 68 54 7 4 3 5 12 6 2 3 4 2 2 3 3 2 2 4 10 4 2 4 3 2 4 4 4 5 44 12 3 2 4 20 15 4 3 5 5 3 3 4 3 1 3 5 3 3 3 4 3 1 6 15 5 13 18 8 3 1 3 4 2 2 3 4 2 2 6 20 3 3 4 4 2 13 90 22 20 85 25 100 0 3 6 10 18 2 4 3 1 2 4 3 1 2 4 3 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 4 3 1 2 4 4 1 2 4 3 1 2 4 3 1 4 5 3 3 5 13 18 46 86 11 9 11 5 3 3 2 3 3 2 2 3 4 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 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 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 1 2 3 2 1 2 3; 1HNMR: 81 81 d 1H J 21 \| 79 79 d 1H J 82 \| 73 72 dd 1H J 24 82 \| 71 70 t 1H J 23 \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1=C(C#N)C(c2cc(F)c(F)c3c(=O)cc(C)oc23)C(C(=O)OC2CCC2)=C(C)N1	ir: 9 56 35 22 1 4 5 4 1 3 6 3 1 5 7 2 10 5 7 5 6 10 5 2 2 4 4 1 2 4 12 13 3 4 4 1 2 4 3 1 3 7 3 1 5 21 6 6 4 6 4 3 6 4 3 0 5 5 2 1 8 8 6 10 10 11 5 15 13 22 6 6 6 5 2 2 4 4 4 4 4 4 1 9 5 4 3 2 5 8 3 2 5 4 2 3 3 6 2 10 6 12 7 3 11 11 2 5 7 3 0 3 5 3 2 4 8 6 12 6 13 6 1 5 5 4 1 4 11 6 3 5 6 4 3 8 4 3 5 6 17 1 2 4 3 1 2 4 4 5 3 8 64 71 3 4 4 24 14 5 5 5 85 8 5 1 3 5 3 1 2 4 3 0 3 4 2 1 2 4 2 1 15 5 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 3 1 1 4 3 1 2 3 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 1 3 4 2 0 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 4 3 3 2 5 8 1 2 4 4 2 3 5 15 2 6 7 6 9 13 6 11 3 23 17 8 3 4 5 3 1 3 4 3 2 3 5 5 3 5 7 3 2 4 5 8 25 100 15 4 3 3 3 2 2 3 3 1 2 4 3 2 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 4 2 1 2 4; 1HNMR: 79 78 s 1H \| 73 72 ddd 1H J 7 44 121 \| 61 61 q 1H J 14 \| 50 49 p 1H J 45 \| 45 45 m 1H J 11 \| 24 24 d 3H J 15 \| 23 23 d 3H J 11 \| 20 19 d 3H J 11 \| 20 19 m 2H \| 18 16 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(N)Cc1ccc2c(-c3ccnc(NC4CC(C)(C)NC(C)(C)C4)n3)c[nH]c2c1	ir: 3 2 1 5 1 2 3 5 2 6 5 3 2 3 3 3 7 3 2 3 3 6 5 4 3 7 24 36 14 5 2 3 9 5 12 11 22 22 6 2 2 2 2 11 18 15 5 1 4 5 11 5 3 10 8 6 5 5 4 2 1 5 6 8 7 4 8 4 4 3 3 3 5 2 11 9 4 1 5 7 10 3 5 2 4 3 2 2 2 2 1 3 2 2 1 2 2 2 8 3 2 3 2 2 1 1 2 1 6 7 5 3 3 3 3 3 3 3 3 7 8 8 8 4 3 6 9 30 17 5 6 9 12 23 78 21 25 11 7 5 4 4 26 7 5 6 10 7 12 100 24 4 3 40 19 4 2 1 3 13 14 1 1 3 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 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 0 0 0 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 1 1 2 0 2 2 1 1 1 1 2 6 7 2 6 11 9 7 4 6 4 2 1 1 1 5 3 7 8 15 7 5 11 6 12 17 14 12 27 22 33 36 26 10 4 2 1 1 0 1 1 1 0 0 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 48 \| 80 79 d 1H J 75 \| 79 78 d 1H J 84 \| 74 74 d 1H J 48 \| 73 73 dq 1H J 7 15 \| 70 70 ddt 1H J 9 15 84 \| 54 53 d 1H J 60 \| 42 41 h 1H J 55 \| 34 33 m 3H \| 30 29 ddt 1H J 9 59 141 \| 27 27 ddt 1H J 9 57 140 \| 20 19 dd 2H J 54 134 \| 17 17 dd 2H J 55 136 \| 15 15 s 1H \| 13 13 s 5H \| 12 11 m 3H \| 12 11 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc(Br)ccc1OCc1ccccc1	ir: 1 2 1 1 1 1 1 2 1 1 2 1 2 3 5 2 2 3 3 1 1 1 1 1 1 2 2 0 1 1 1 2 1 1 1 1 3 4 8 12 15 4 2 1 1 1 1 1 1 1 1 1 1 6 3 1 2 1 1 1 1 0 1 0 1 1 0 1 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 1 1 0 0 2 1 1 2 1 3 1 0 0 0 0 0 2 4 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 1 0 0 0 0 0 0 1 3 2 1 0 1 0 1 0 1 2 3 1 2 6 4 3 2 2 6 15 13 5 1 1 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 2 3 2 16 7 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 13 14 2 0 0 0 0 0 0 0 1 1 13 100 9 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 4H \| 73 73 m 1H \| 70 69 m 2H \| 56 56 s 2H \| 51 51 t 2H J 9	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCC(Cc1ccccc1)N1CCOC1=O	ir: 1 1 1 1 1 1 0 0 0 2 3 1 0 1 1 1 2 2 1 1 1 1 0 0 0 1 1 0 1 2 4 3 2 2 3 4 2 9 36 34 25 5 2 2 2 2 4 3 5 7 22 21 5 1 2 2 7 9 2 0 1 3 0 0 1 1 2 4 5 3 2 1 2 6 16 44 16 4 2 6 6 4 4 3 1 2 1 0 1 9 2 1 1 0 0 1 1 4 5 2 1 1 0 1 1 3 1 1 3 1 1 1 1 1 1 1 4 5 1 7 5 5 9 9 6 11 9 5 15 4 8 7 3 14 48 15 6 3 2 1 0 2 12 2 4 1 1 1 2 2 11 100 6 0 1 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 2 2 2 1 2 3 1 13 6 4 40 4 2 3 1 1 1 2 2 2 2 3 6 9 9 10 11 6 5 2 4 5 90 93 4 3 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 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; 1HNMR: 73 73 m 2H \| 73 72 m 1H \| 72 72 dq 2H J 8 67 \| 43 42 m 2H \| 39 39 tt 1H J 51 73 \| 37 36 ddd 1H J 35 50 124 \| 36 35 ddd 1H J 36 50 125 \| 31 30 m 2H \| 28 27 m 2H \| 25 25 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C)(C)Cc1ncc(Br)s1	ir: 4 1 2 1 0 2 3 4 1 2 2 1 0 1 1 1 0 1 1 0 0 1 5 0 2 4 25 8 28 6 1 2 1 0 0 1 1 0 1 1 1 2 10 15 5 1 2 2 1 2 1 7 2 9 12 6 2 1 1 1 2 10 8 5 6 6 1 1 1 1 1 1 7 9 3 9 1 1 1 1 1 1 6 26 37 8 2 2 5 4 15 8 3 1 1 2 3 2 3 2 17 8 2 1 2 1 0 1 2 1 2 4 9 23 5 12 3 9 8 4 16 12 22 3 3 2 2 7 10 14 22 6 2 4 2 2 1 1 1 1 0 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 5 10 3 3 2 4 9 8 2 1 3 8 11 32 100 9 5 2 2 23 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 s 1H \| 42 41 q 2H J 61 \| 31 31 s 2H \| 14 14 s 5H \| 13 12 t 4H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)O)ccc4c3c2)c1	ir: 4 4 25 11 6 3 2 3 4 3 4 4 5 9 17 32 16 4 8 14 9 9 86 6 43 21 8 6 8 3 6 7 19 5 5 7 5 4 2 4 8 67 49 5 3 4 6 13 15 6 4 3 3 3 4 5 13 3 2 3 3 3 4 4 5 26 21 11 12 7 4 4 5 2 4 7 49 4 35 42 11 11 4 4 2 2 3 3 3 3 4 3 3 7 4 4 5 3 12 6 12 3 3 2 2 2 3 3 4 17 5 3 3 12 15 8 7 5 7 7 6 5 13 5 7 4 3 3 2 5 6 8 3 2 3 2 2 3 3 5 18 5 19 6 4 28 4 26 4 3 3 6 5 10 5 7 2 16 25 55 16 3 5 4 10 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 3 2 2 3 2 2 2 3 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 3 3 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 3 2 2 2 2 2 3 3 3 2 3 4 6 6 26 100 45 10 5 2 5 4 2 0 27 4 3 4 4 3 2 1 29 47 4 4 2 3 4 4 5 18 19 5 4 43 12 5 1 2 3 3 2 2 3 2 2 2 3 2 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 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2; 1HNMR: 84 83 s 2H \| 83 83 m 2H \| 82 82 dd 2H J 14 22 \| 80 79 dd 1H J 21 85 \| 74 74 m 2H \| 73 72 t 1H J 21 \| 70 69 dt 1H J 19 75 \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)NS(=O)(=O)c1ccc2c(N)cccc2c1O	ir: 7 18 10 4 2 6 4 5 4 6 10 4 3 2 7 5 1 6 7 6 12 9 9 13 8 5 5 2 1 2 4 14 16 7 3 3 1 2 1 1 3 4 7 19 16 6 2 6 7 3 8 14 14 13 4 11 16 3 2 1 2 3 6 3 4 3 2 1 15 1 2 2 1 1 2 3 1 1 1 2 2 6 13 2 11 8 13 14 8 6 0 4 6 3 10 28 14 4 7 9 4 2 2 5 2 7 17 7 7 1 1 1 2 3 2 26 26 7 3 6 4 2 2 2 1 1 1 2 6 13 1 3 6 5 1 2 2 1 1 3 2 2 1 1 17 16 0 4 4 5 7 14 3 3 14 36 37 4 4 1 3 11 4 2 1 0 1 2 1 0 1 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 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 2 1 1 0 2 3 6 5 7 14 12 10 17 35 42 19 4 5 5 2 1 1 1 1 1 1 1 1 16 40 3 62 72 4 3 2 2 2 1 3 53 100 6 1 1 1 1 0 0 0 1 0 1 1 1 1 0 1 0 0 0 0 0 1 1 1 0 0 0 1 1 0 1 1 1 1 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; 1HNMR: 93 92 s 1H \| 80 80 m 2H \| 77 76 d 1H J 97 \| 73 72 t 1H J 80 \| 69 68 m 1H \| 65 65 s 1H \| 48 48 s 2H \| 10 10 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1c(C(C#N)c2ccnc(NC)n2)nc2ccccc21	ir: 7 6 1 3 6 5 2 6 6 16 10 9 8 11 3 5 2 4 2 5 4 17 5 4 3 3 3 1 2 2 4 1 4 7 6 3 47 13 5 1 1 4 28 42 8 25 4 2 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 3 3 4 3 4 16 6 9 7 10 3 1 1 1 1 1 0 0 1 1 1 1 0 1 0 1 2 4 2 1 1 1 1 12 5 0 1 1 1 1 0 0 1 1 1 2 5 1 3 5 2 2 1 3 2 2 2 2 2 7 7 1 2 2 3 4 2 2 2 1 3 7 28 56 7 2 3 2 5 3 4 6 46 43 100 19 3 2 1 1 3 20 10 7 2 2 3 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 6 6 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 1 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 4 3 5 1 2 4 5 9 22 22 10 2 1 1 1 1 1 1 1 0 1 0 1 2 2 1 0 1 2 1 0 2 7 15 46 8 1 2 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 d 1H J 37 \| 76 75 m 1H \| 75 75 m 1H \| 73 72 m 2H \| 71 71 dd 1H J 7 37 \| 60 60 q 1H J 47 \| 53 53 s 1H \| 43 42 m 2H \| 30 30 d 3H J 48 \| 14 13 t 3H J 56	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCc1nc(CO)c(CO)[nH]1	ir: 4 2 2 2 1 1 1 2 3 2 4 3 3 1 1 4 3 2 1 2 2 2 1 2 1 1 1 2 2 1 2 2 2 1 2 5 6 5 8 7 14 10 8 15 13 6 9 7 6 3 11 22 20 6 8 6 4 5 5 10 5 4 11 10 7 3 3 3 2 0 4 4 11 5 4 6 2 4 12 17 8 7 25 13 18 31 53 51 70 23 6 3 6 4 8 2 4 2 3 3 2 3 0 2 3 15 10 7 17 18 15 58 13 7 10 19 14 14 26 18 16 7 4 4 3 3 2 3 7 13 10 13 8 17 9 4 2 3 2 2 4 10 16 7 2 3 3 2 2 2 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 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 1 1 1 1 1 1 1 1 1 1 3 4 5 5 2 6 11 12 31 25 8 8 7 10 10 41 17 47 13 9 23 2 3 6 10 10 8 37 100 52 59 32 11 11 4 4 2 3 3 2 3 3 6 3 2 2 2 2 1 1 2 1 1 2 2 2 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 48 48 d 2H J 58 \| 47 47 d 2H J 54 \| 38 37 t 1H J 59 \| 37 36 t 1H J 53 \| 26 25 t 2H J 84 \| 18 17 m 2H \| 17 16 m 2H \| 10 9 t 3H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(Nc1ncnc(N)c1C#N)c1nc2cccnc2cc1-c1ccccc1	ir: 18 10 9 7 5 4 1 2 3 3 3 10 8 7 9 11 11 4 2 16 10 4 3 4 10 4 5 9 13 1 7 8 9 4 6 10 14 3 3 5 19 23 12 9 34 34 10 11 7 2 5 2 3 1 3 3 4 2 2 3 2 5 18 20 9 2 3 4 5 11 8 3 5 2 2 2 3 1 3 2 2 2 1 1 1 5 6 6 1 2 2 3 4 2 3 2 6 36 8 14 3 2 1 4 3 6 3 2 2 5 2 3 3 3 5 7 3 3 1 2 3 2 2 3 3 4 7 6 6 4 2 8 13 5 9 6 4 8 23 12 8 4 3 2 4 4 6 13 40 9 13 10 32 19 2 12 19 100 14 3 1 2 2 0 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 3 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 2 1 1 1 1 2 1 1 1 2 1 3 2 2 8 3 6 12 19 12 4 2 2 1 1 1 2 2 1 1 1 1 1 1 2 16 9 3 3 3 3 11 29 17 5 3 7 22 57 10 1 1 2 1 1 1 2 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; 1HNMR: 89 88 m 2H \| 83 83 dd 1H J 21 73 \| 83 82 s 1H \| 78 77 dd 1H J 46 73 \| 77 76 m 2H \| 75 74 m 2H \| 74 73 m 1H \| 59 58 d 1H J 77 \| 57 56 dq 1H J 61 75 \| 53 53 s 2H \| 19 18 d 3H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)CCc1cc2c(nn1)[C@@]1(C)CC[C@@H]2C1(C)C	ir: 2 5 8 4 7 4 10 7 3 5 7 9 4 10 12 4 3 5 6 3 4 5 6 12 61 7 5 3 3 7 5 6 3 5 5 5 11 6 5 6 22 13 10 3 4 8 5 3 4 6 4 2 4 7 4 0 8 6 20 6 18 15 12 16 9 34 21 9 12 24 11 4 8 12 4 3 5 8 8 3 5 6 4 3 7 13 8 5 19 6 3 4 7 6 8 13 43 23 11 6 8 5 3 4 7 5 2 5 12 8 13 11 20 5 9 10 19 11 17 20 27 23 9 7 13 14 2 11 12 79 13 88 7 9 8 24 8 16 11 7 6 6 9 62 8 5 6 47 5 5 4 5 5 4 4 5 6 12 25 7 5 3 4 6 4 3 4 6 4 3 4 6 4 3 4 6 4 3 5 6 4 3 5 5 4 3 5 5 4 3 5 5 4 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 4 5 5 3 4 5 4 3 4 5 4 3 4 5 4 3 4 6 4 3 4 6 4 3 4 5 4 3 5 5 4 3 5 5 4 3 4 5 4 3 5 5 4 4 5 5 4 4 5 5 4 4 5 5 3 4 5 5 4 5 6 11 6 7 7 13 16 13 10 8 8 10 20 25 100 34 33 21 97 8 10 5 2 5 7 4 3 5 6 4 3 5 5 3 3 5 5 3 3 5 5 4 3 5 5 3 3 5 5 3 3 5 5 3 4 5 5 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 4 3 4 5 4 3 4 5 4 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 4 5 5 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5; 1HNMR: 71 71 q 1H J 8 \| 29 29 m 1H \| 29 28 td 2H J 9 78 \| 23 22 ddd 1H J 59 79 143 \| 21 20 m 2H \| 19 18 ddt 1H J 60 79 130 \| 16 16 t 2H J 77 \| 15 15 s 3H \| 11 11 d 3H J 14 \| 11 11 d 3H J 14 \| 8 8 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(CN)ccc1CN(Cc1ncc(Cl)cc1C)C(C)(C)c1ccccn1	ir: 5 2 8 8 10 11 11 8 2 3 4 4 7 3 4 3 2 4 9 3 2 7 3 4 4 3 3 3 6 6 6 15 3 3 21 8 46 14 14 16 40 7 7 5 9 7 6 5 25 8 45 26 4 17 29 31 15 11 28 29 6 12 15 16 15 8 17 14 11 30 72 76 85 14 21 10 6 5 10 19 15 6 6 7 13 7 12 10 30 11 3 3 9 3 6 8 10 11 14 5 4 11 4 5 7 4 15 5 4 6 5 5 2 4 3 4 4 3 5 12 17 6 9 14 19 8 27 19 22 52 3 34 72 100 59 19 39 29 15 12 3 4 2 4 1 9 26 6 19 4 26 3 13 9 12 2 6 61 11 2 0 4 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 2 1 3 3 2 2 2 3 3 2 3 3 4 3 7 18 14 5 7 75 56 34 10 2 4 4 3 2 6 11 6 11 17 25 33 64 30 13 18 13 12 95 99 8 6 9 5 5 2 2 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 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 0 0 0 1; 1HNMR: 83 83 dd 1H J 17 33 \| 83 82 d 1H J 16 \| 80 80 m 1H \| 76 75 ddd 1H J 16 68 75 \| 74 73 dd 1H J 13 77 \| 73 72 ddd 1H J 15 33 68 \| 71 70 m 2H \| 70 70 dq 1H J 9 18 \| 43 43 s 2H \| 40 39 m 4H \| 28 28 t 2H J 63 \| 23 23 s 3H \| 22 22 s 3H \| 17 16 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@@H]1CC[C@@H](CC)P1c1sc2ccccc2c1P1[C@H](CC)CC[C@H]1CC	ir: 3 3 8 6 15 8 8 9 14 3 5 8 6 5 6 5 4 4 24 19 5 4 32 3 1 2 2 2 1 8 2 10 13 36 8 4 13 3 8 13 1 4 7 1 2 8 24 14 5 3 2 6 6 19 100 8 3 15 5 3 5 0 8 9 24 1 8 9 6 9 2 1 2 6 7 5 7 6 3 4 7 4 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 2 2 2 6 11 7 3 12 8 14 14 9 6 7 9 13 8 3 3 4 3 2 2 2 3 3 3 4 2 2 2 1 2 3 3 6 2 2 6 3 2 2 1 1 1 1 1 3 2 1 9 7 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 2 1 1 1 2 2 3 3 4 3 7 10 5 5 5 8 8 3 9 8 0 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: 78 78 m 1H \| 77 77 m 1H \| 75 74 m 2H \| 25 24 m 1H \| 25 24 m 2H \| 24 23 m 1H \| 16 12 m 16H \| 8 8 td 12H J 15 85	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@@H](N)Cc1ccc(-c2cccc(CNCC(=O)c3ccccc3)c2)cc1	ir: 1 1 1 1 1 3 1 2 2 1 2 2 3 6 2 3 2 4 7 1 1 1 1 1 2 3 3 2 1 1 3 6 3 11 22 6 6 13 6 2 3 10 14 4 2 5 17 12 13 3 3 2 3 9 11 3 12 14 7 2 2 2 5 18 31 16 10 7 8 14 12 4 3 2 5 5 11 13 7 2 2 2 4 17 11 3 1 3 3 2 2 3 6 2 2 2 7 4 3 9 1 2 1 1 1 2 3 4 2 4 2 10 24 10 11 3 4 2 4 3 9 4 5 11 9 7 11 7 5 9 3 15 16 20 16 13 9 4 3 3 8 5 8 9 19 7 9 20 6 3 2 1 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 1 1 1 1 1 1 1 2 3 2 1 1 2 3 1 3 5 8 16 51 13 11 4 4 1 1 1 3 2 1 2 4 6 17 17 15 15 10 23 28 6 100 47 0 3 3 0 0 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 1 1; 1HNMR: 80 79 m 2H \| 76 75 m 1H \| 75 74 m 8H \| 74 73 ddq 1H J 9 17 77 \| 73 72 dt 2H J 9 85 \| 59 58 d 2H J 66 \| 42 41 d 2H J 60 \| 41 40 dt 2H J 9 58 \| 39 38 p 1H J 65 \| 37 37 s 2H \| 34 33 p 1H J 59 \| 32 31 ddt 1H J 9 64 147 \| 29 28 ddt 1H J 9 62 147	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(NCCCn2ccnc2)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1	ir: 1 3 4 6 2 4 12 10 6 7 7 2 2 2 2 4 3 2 1 1 1 1 2 1 2 2 2 2 6 9 14 7 4 2 2 2 2 2 3 5 5 6 13 4 2 2 3 2 7 3 3 3 3 2 6 5 5 2 4 5 7 64 4 5 12 15 6 2 15 5 5 2 2 2 2 7 4 14 13 3 13 8 5 7 16 8 4 5 14 10 7 10 2 8 6 12 4 4 6 4 3 14 3 15 25 12 10 11 10 5 4 6 12 19 7 7 4 4 8 7 14 8 8 8 3 3 3 4 3 3 1 4 4 3 2 2 2 4 3 5 28 39 15 14 31 13 1 4 13 3 13 23 17 4 3 3 5 6 4 7 3 4 6 3 17 1 2 1 4 8 4 1 1 1 4 2 1 1 1 1 1 0 2 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 4 4 2 1 5 10 9 5 7 6 6 7 9 26 20 12 24 100 66 55 17 5 4 5 2 0 2 2 1 0 2 3 1 1 2 2 1 3 4 3 10 15 36 10 2 1 2 2 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 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 86 86 dd 1H J 16 41 \| 80 80 d 1H J 21 \| 79 78 d 1H J 79 \| 78 77 m 3H \| 77 76 dd 1H J 22 81 \| 75 75 d 1H J 80 \| 73 72 ddt 1H J 9 16 37 \| 72 72 ddd 1H J 18 40 68 \| 70 69 dd 1H J 18 38 \| 68 68 d 1H J 79 \| 57 56 t 1H J 38 \| 42 41 tt 2H J 9 62 \| 36 35 td 2H J 39 61 \| 26 26 s 2H \| 21 21 p 2H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(=C1C(=O)N(c2ccccc2OC)N=C1C)C(F)(F)F	ir: 2 6 8 21 18 5 13 7 2 2 2 3 4 2 1 2 4 3 5 3 3 7 4 1 1 1 0 1 1 3 5 7 3 2 6 3 2 0 1 9 8 25 17 35 23 15 4 0 0 2 3 1 8 0 5 8 7 14 2 2 2 1 3 3 5 10 4 3 6 5 6 7 2 2 6 5 5 8 2 1 2 1 2 6 8 3 2 1 1 3 5 1 1 1 1 1 1 16 45 33 6 8 29 4 3 1 2 1 5 16 7 3 2 5 11 5 5 7 10 12 25 39 45 5 7 7 33 3 17 3 1 3 12 7 1 2 4 22 19 4 26 11 15 18 100 18 10 6 29 14 3 2 4 11 50 5 2 10 8 1 3 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 2 6 4 2 1 1 1 1 1 1 2 3 3 5 5 8 14 13 61 18 13 5 3 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 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 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; 1HNMR: 80 79 dd 1H J 14 72 \| 74 74 td 1H J 12 72 \| 72 72 td 1H J 13 71 \| 71 71 dd 1H J 12 71 \| 39 39 s 3H \| 38 37 s 3H \| 29 28 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(Cl)c2nc3n(c12)CCCN3c1ccc(Br)cc1C	ir: 19 19 18 6 2 3 9 4 1 3 5 9 17 4 10 9 2 5 7 4 17 5 5 44 22 3 3 1 3 3 3 4 2 2 10 2 2 3 2 1 1 3 2 1 2 3 4 0 2 3 3 4 22 15 67 5 14 4 2 1 2 3 2 1 3 18 2 5 5 3 4 7 3 3 2 2 4 3 4 2 2 2 2 3 62 16 4 4 3 6 3 3 3 2 1 1 4 9 3 3 5 3 7 4 7 3 2 2 8 3 2 3 4 7 2 5 8 37 19 17 11 5 2 5 4 3 2 3 5 4 4 3 85 5 1 3 3 5 5 3 2 4 5 100 13 13 26 31 82 33 8 4 12 2 1 3 6 1 1 6 2 7 2 3 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 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 3 2 0 1 3 2 0 1 3 2 0 1 3 1 0 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 3 2 1 2 3 5 2 4 4 2 2 3 5 4 6 27 3 14 80 16 14 11 5 3 4 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 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2; 1HNMR: 78 77 d 1H J 92 \| 75 74 d 1H J 90 \| 73 73 dd 1H J 22 84 \| 73 72 m 1H \| 70 70 d 1H J 84 \| 43 42 m 2H \| 39 39 s 3H \| 39 38 m 2H \| 23 23 s 3H \| 22 21 p 2H J 56	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NC[C@@H]1CCN(C(=O)C2CC2)C1)NNC(=O)c1ccc(Br)cc1F	ir: 4 2 1 1 2 2 1 2 3 4 1 2 2 1 1 3 2 3 1 3 3 4 6 7 2 2 2 3 11 4 5 2 2 6 4 5 2 10 8 49 13 14 5 49 37 10 22 27 4 1 5 8 7 2 2 11 4 2 3 2 1 0 1 2 1 2 8 10 2 0 1 2 2 1 1 2 1 0 1 2 1 0 1 1 2 2 12 2 1 4 5 2 2 2 3 2 1 2 2 2 2 2 4 4 11 5 9 6 5 2 5 6 2 2 2 1 0 3 2 1 0 2 2 3 1 3 3 2 2 2 3 1 1 1 2 2 17 2 4 20 7 6 4 5 10 100 18 21 60 19 16 7 5 14 4 4 12 2 1 0 3 18 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 2 1 2 2 1 2 1 7 3 4 4 3 13 54 6 3 2 3 1 3 1 2 2 1 1 1 1 0 1 5 7 2 3 2 3 4 10 31 30 8 9 3 2 2 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 83 82 d 1H J 66 \| 78 78 dd 1H J 50 82 \| 75 74 dd 1H J 21 121 \| 74 74 dd 1H J 21 82 \| 62 62 t 1H J 58 \| 37 36 m 1H \| 36 35 dddd 1H J 18 53 72 124 \| 35 34 m 2H \| 33 33 m 1H \| 31 30 m 1H \| 23 22 m 1H \| 20 19 m 2H \| 18 17 m 1H \| 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.
COC(=O)CC(=O)c1nccc(N2CCCCC2)n1	ir: 6 7 6 5 4 11 7 4 4 3 3 4 7 5 5 7 6 7 5 3 5 4 5 7 4 15 8 9 3 2 4 7 25 28 29 12 8 7 14 11 12 2 2 4 20 24 1 7 6 0 8 9 3 4 6 7 4 2 3 5 3 9 13 14 8 8 3 4 3 5 4 4 8 27 17 6 11 5 4 3 3 2 6 14 7 4 9 3 2 3 4 3 2 2 5 6 6 3 8 11 3 14 17 11 6 3 5 3 3 6 11 10 3 14 4 9 7 7 8 11 17 14 9 11 12 9 9 12 10 11 11 7 6 4 3 3 9 33 32 45 100 26 10 14 49 57 10 4 14 31 34 18 4 5 6 4 12 43 36 17 4 4 4 1 2 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 3 2 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 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 2 2 3 2 2 3 3 2 3 4 11 7 5 3 4 5 4 6 16 29 8 6 37 9 4 4 3 2 1 2 3 2 1 2 3 1 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 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 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 85 84 d 1H J 51 \| 67 66 d 1H J 49 \| 46 46 s 2H \| 37 37 s 2H \| 36 35 m 4H \| 16 15 m 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCOC(=O)c1ccccc1OS(=O)(=O)N=C=O	ir: 6 7 12 10 18 32 12 7 12 12 11 5 4 10 6 4 5 12 4 3 4 5 5 5 4 4 4 5 3 4 3 1 2 3 2 1 1 1 2 0 1 3 7 100 89 0 2 2 5 2 2 2 2 1 3 9 4 4 12 9 30 36 16 15 9 3 19 78 53 29 21 6 16 9 7 6 7 2 1 2 3 2 6 19 67 31 7 8 3 2 3 6 1 1 1 1 1 0 0 0 1 4 1 1 1 1 1 2 7 12 3 1 1 1 1 1 2 2 8 7 4 9 7 3 5 3 1 1 1 0 1 1 2 1 1 11 5 6 11 1 1 2 2 1 0 2 9 19 6 3 2 5 1 2 1 4 6 1 1 6 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 25 30 2 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 1 1 0 1 1 1 1 1 2 4 2 3 4 3 0 15 13 25 7 6 2 3 4 5 4 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 dd 1H J 16 80 \| 75 74 td 1H J 16 79 \| 72 72 dd 1H J 12 81 \| 71 70 td 1H J 12 79 \| 61 60 ddt 1H J 56 114 172 \| 53 53 m 1H \| 53 52 m 1H \| 48 48 dt 2H J 14 57	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1ccc(C(=O)NCCN2CCNC2=O)cc1	ir: 0 4 8 10 11 6 9 15 13 14 9 4 1 6 8 3 1 4 6 3 9 5 6 2 1 6 6 3 2 10 9 11 7 16 27 3 26 15 6 6 14 100 28 7 5 7 6 6 4 9 7 1 4 17 24 2 4 7 3 2 6 7 4 1 4 7 5 5 4 7 4 2 4 5 2 1 5 6 5 3 5 6 4 3 4 5 2 4 8 6 2 2 7 6 2 3 6 6 1 3 11 5 2 3 14 8 1 3 7 5 3 5 8 10 1 5 6 5 5 10 19 10 4 6 9 20 17 7 5 4 3 9 7 7 9 12 7 4 3 5 5 6 19 79 44 13 7 17 20 7 4 8 11 1 6 12 12 29 37 7 5 1 3 6 4 0 3 6 3 0 3 6 3 0 3 6 3 0 3 6 3 1 4 5 2 1 4 5 2 1 4 5 2 1 4 5 2 1 4 5 2 2 5 4 1 2 5 4 1 2 5 4 1 2 5 4 1 3 5 3 1 3 5 3 0 3 6 3 0 3 6 3 1 3 5 3 1 3 5 3 1 4 5 2 1 4 5 2 1 4 5 2 2 4 5 2 2 4 4 2 2 5 4 2 2 5 4 1 2 5 4 2 3 6 5 3 4 7 4 1 3 6 4 6 8 15 8 14 14 10 7 2 4 5 3 2 5 5 3 2 5 6 4 3 6 9 6 6 7 16 25 24 59 39 8 4 6 4 2 2 5 4 2 2 5 4 2 3 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 2 2 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 5 3 1 3 5 3 1 3 5 3 1 3 5; 1HNMR: 100 99 s 1H \| 80 80 m 2H \| 80 79 m 2H \| 72 72 t 1H J 45 \| 56 56 t 1H J 25 \| 36 35 m 6H \| 34 33 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Br)c(C)c1OC	ir: 5 3 1 2 2 1 1 4 5 3 1 2 3 1 2 7 6 7 4 4 3 3 1 2 2 3 7 3 5 2 4 3 2 1 1 1 1 1 1 3 2 1 1 2 1 0 1 2 3 2 4 7 100 15 76 9 5 3 15 13 18 7 2 8 8 11 5 4 8 2 15 9 6 4 4 6 2 4 7 4 2 1 2 2 2 5 5 2 1 1 2 2 2 1 4 20 31 25 7 2 1 2 2 2 2 1 1 2 1 3 4 3 1 1 3 2 2 3 5 2 2 2 3 3 2 3 5 7 3 2 2 2 4 16 5 8 2 3 3 8 35 31 14 3 2 2 2 3 2 1 1 16 29 4 2 0 2 9 11 11 3 3 1 0 1 2 2 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 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 1 1 1 1 1 1 1 1 1 1 1 2 5 4 3 3 1 2 2 2 2 2 4 5 3 8 15 14 23 40 56 52 16 11 10 4 7 2 3 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 73 73 d 1H J 86 \| 69 68 d 1H J 88 \| 39 38 s 3H \| 38 37 s 3H \| 23 22 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(Nc2nccs2)cc1OCc1ccco1	ir: 7 3 10 12 9 6 5 5 1 3 7 2 2 2 5 7 4 2 2 1 3 2 2 3 4 2 2 9 3 5 4 4 5 2 7 20 16 9 15 3 6 3 3 5 2 2 2 3 10 12 12 55 60 14 20 44 16 17 2 0 2 2 4 2 3 12 46 8 25 9 4 5 21 10 27 5 7 8 3 1 2 2 1 1 3 6 4 5 5 20 18 11 8 6 8 28 26 17 12 13 7 3 4 17 8 4 8 38 44 13 3 2 2 2 1 2 4 8 11 4 6 8 13 9 5 13 12 18 38 10 10 4 4 1 1 2 2 2 1 2 3 17 3 5 9 11 18 5 10 6 32 4 6 4 31 13 3 4 14 8 2 2 10 36 4 8 3 3 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 2 1 2 2 3 2 5 2 3 4 5 4 5 5 1 2 8 50 26 39 75 100 50 7 4 5 6 4 0 4 3 5 4 4 4 2 1 2 3 1 2 3 5 4 19 47 9 6 7 5 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 3 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; 1HNMR: 96 95 s 1H \| 77 76 d 1H J 82 \| 75 74 t 1H J 16 \| 73 72 dd 1H J 22 82 \| 72 72 d 1H J 46 \| 69 69 d 1H J 21 \| 67 67 d 1H J 46 \| 65 65 ddt 1H J 9 18 49 \| 64 63 dd 1H J 16 49 \| 52 51 d 2H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)C(=O)c1cc2cc(Br)ccc2o1	ir: 12 5 7 9 5 2 0 3 5 3 2 2 3 2 1 3 4 2 3 4 3 1 1 3 3 1 2 5 3 2 2 3 4 4 16 20 13 46 39 13 8 6 7 5 4 3 11 15 8 3 7 7 12 18 26 18 10 3 3 4 2 1 2 4 4 2 3 9 7 7 9 4 2 2 3 3 1 2 3 4 1 18 5 2 2 3 5 5 11 6 3 4 11 41 18 7 1 4 6 3 3 5 11 22 11 3 4 3 0 3 4 4 7 10 27 4 1 7 13 12 30 24 5 3 3 6 5 3 8 40 20 9 9 23 16 21 5 6 3 3 5 16 22 4 7 10 16 5 4 22 37 18 16 4 2 14 18 9 3 0 1 4 3 0 1 3 2 1 2 3 1 0 2 3 2 0 2 3 1 0 2 3 1 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 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 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 3 1 3 3 2 2 2 4 4 2 4 5 3 2 7 8 11 13 37 48 100 45 8 7 4 3 3 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 3 2 0 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 1 2 2 1 1 2 2 1 1 2 2 1; 1HNMR: 79 79 dt 1H J 12 27 \| 77 77 d 1H J 22 \| 75 75 m 2H \| 34 33 q 4H J 71 \| 12 11 t 6H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2cc(C)cnc2N)cc1	ir: 5 4 2 4 3 3 4 2 2 2 4 6 15 10 7 7 4 5 6 5 4 2 3 3 1 2 3 2 3 3 3 3 3 3 2 1 12 21 13 18 7 11 3 6 2 5 2 2 2 2 2 4 8 16 8 7 11 4 4 2 3 2 1 5 5 7 2 3 4 4 2 2 2 2 2 1 1 1 1 1 0 1 0 0 1 2 2 2 4 1 1 1 3 3 2 2 3 5 8 5 4 3 0 1 1 1 0 1 1 1 1 1 2 3 2 1 1 2 1 2 2 2 2 4 10 6 7 2 1 2 1 3 11 1 1 1 1 1 1 1 1 2 1 4 3 7 9 19 18 7 31 17 18 8 19 10 4 1 6 3 5 1 1 1 1 1 0 1 1 0 1 1 0 0 1 1 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 1 1 1 1 1 2 2 2 5 10 16 22 14 10 6 1 2 1 1 1 1 0 1 1 1 1 1 2 7 63 38 36 4 2 1 0 1 1 0 1 4 19 100 7 3 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 9 16 \| 75 75 m 1H \| 74 74 m 2H \| 70 69 m 2H \| 63 63 s 2H \| 38 38 s 3H \| 25 25 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2c(N3CCN(CC(O)c4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1	ir: 2 4 2 1 1 2 2 3 4 4 1 2 9 9 5 2 2 3 3 2 2 2 1 1 1 2 1 2 3 10 17 32 9 6 4 1 2 4 1 0 1 2 1 3 1 1 1 2 4 2 66 13 10 9 11 5 1 2 2 0 3 3 1 2 3 5 4 7 3 2 2 1 1 1 1 1 2 2 3 3 5 2 14 3 7 3 2 14 15 13 10 5 1 4 1 2 2 6 5 8 6 3 1 1 1 6 2 1 1 0 1 1 1 1 5 2 2 2 1 3 1 3 2 1 1 1 2 2 1 1 2 2 5 6 5 3 1 3 1 1 1 7 2 1 2 2 1 1 3 3 100 3 4 1 2 6 10 2 1 0 4 1 1 8 4 1 1 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 2 2 2 1 1 1 1 2 2 3 5 5 7 12 19 3 2 3 1 0 3 8 2 1 1 0 1 0 0 1 1 1 1 1 5 4 3 9 15 5 4 2 1 1 1 0 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 96 96 s 1H \| 82 82 d 1H J 80 \| 81 80 dd 1H J 8 21 \| 79 78 dd 1H J 10 73 \| 78 77 t 1H J 77 \| 72 71 m 1H \| 71 71 m 1H \| 70 70 m 1H \| 69 69 d 1H J 85 \| 50 49 m 1H \| 46 46 s 2H \| 39 39 d 1H J 59 \| 34 33 t 4H J 43 \| 31 31 dd 1H J 49 123 \| 29 28 m 5H \| 27 27 d 3H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C(F)(F)F)c(N)c(Cl)n1	ir: 9 5 15 20 32 20 10 18 38 21 10 11 2 1 1 1 15 7 3 1 0 28 2 7 2 2 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 2 2 1 3 2 1 1 1 1 1 1 1 1 2 3 2 4 1 1 2 1 2 2 2 2 11 4 3 6 6 5 3 2 0 3 10 4 1 1 1 1 1 1 1 1 1 1 1 32 40 4 1 1 1 1 2 22 32 1 2 1 1 3 3 1 1 1 1 0 1 9 21 3 2 4 3 61 7 1 1 2 1 1 2 2 2 5 2 1 2 1 4 5 1 0 1 1 1 0 1 1 5 19 2 1 1 1 2 1 0 1 1 2 1 8 25 31 8 15 29 11 2 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 0 0 0 1 1 0 0 0 1 1 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 1 1 1 1 1 2 2 7 11 2 2 2 1 1 1 1 2 1 1 1 0 0 1 1 1 4 30 1 1 1 1 0 1 1 2 2 9 69 100 8 2 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 0 1 0 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 1 0 0 0 1; 1HNMR: 74 73 t 1H J 20 \| 47 47 s 2H \| 25 25 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CCC1CCCO1)n1ccnc1	ir: 5 5 1 7 8 8 25 14 8 4 1 4 5 1 0 4 4 4 3 4 4 2 1 4 4 2 3 10 9 4 4 7 30 28 15 3 5 2 2 5 5 2 8 10 13 8 6 5 5 4 7 15 21 6 9 10 5 1 8 9 16 89 22 6 8 12 7 9 10 6 7 4 2 1 9 8 4 2 4 3 14 13 22 6 4 2 5 3 1 4 4 17 20 9 8 17 16 15 12 10 6 7 21 34 22 12 14 5 9 16 18 11 11 11 19 18 28 18 40 35 12 11 9 18 20 14 7 15 12 8 8 4 5 10 9 3 2 3 4 4 6 10 7 2 2 4 4 2 2 4 3 1 1 4 2 1 1 4 2 0 2 4 2 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 2 1 3 3 1 1 3 3 1 2 3 2 0 2 3 3 1 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 2 3 2 1 3 4 2 1 3 3 1 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 4 4 2 3 4 10 6 13 35 11 8 7 11 7 8 14 41 45 39 24 39 58 50 100 14 9 5 4 3 2 2 2 4 2 2 3 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 1 3 2 1 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 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0; 1HNMR: 82 82 t 1H J 16 \| 76 75 dd 1H J 17 40 \| 72 72 dd 1H J 17 39 \| 40 39 p 1H J 36 \| 38 37 ddd 1H J 31 49 108 \| 37 36 ddd 1H J 31 49 108 \| 30 29 dt 1H J 83 148 \| 29 28 dt 1H J 84 150 \| 21 19 m 3H \| 19 18 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(C)nn1C1CCCCC1	ir: 5 3 3 4 4 5 6 12 12 13 3 3 13 7 6 7 3 2 1 2 3 2 2 4 6 8 11 26 68 17 7 3 2 3 3 14 21 4 3 3 3 2 2 3 3 2 2 2 2 6 3 3 2 5 7 24 17 8 4 3 4 3 13 22 3 2 2 3 4 4 5 6 5 26 100 28 9 11 35 4 4 5 2 3 3 3 2 2 3 2 2 2 3 3 2 19 21 11 3 3 3 4 3 4 4 5 7 8 11 22 30 43 66 17 19 23 33 40 18 10 6 6 15 13 15 8 7 8 14 13 6 3 3 7 91 13 0 8 38 48 6 5 6 5 8 39 93 48 10 6 4 2 2 2 2 2 2 2 2 2 9 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 4 5 5 5 5 3 10 6 10 19 12 23 11 14 16 21 32 14 25 15 33 64 21 11 6 3 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 67 67 s 1H \| 47 46 p 1H J 38 \| 44 43 q 2H J 64 \| 23 23 s 3H \| 21 20 dddd 2H J 38 54 78 139 \| 18 17 m 5H \| 16 15 m 2H \| 16 14 m 2H \| 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.
CC(C)(C)OC(=O)N1CC[C@H]1COc1ccccc1	ir: 7 4 5 3 2 2 1 2 3 5 2 4 2 2 4 12 17 13 3 2 2 3 6 3 1 1 2 5 3 8 2 3 5 10 24 4 4 2 8 8 26 11 6 4 2 2 6 23 5 3 13 4 2 3 9 2 1 2 1 2 2 4 13 3 4 3 4 5 11 14 3 3 4 2 2 2 3 1 8 7 3 3 6 2 1 1 1 1 2 1 1 1 2 1 1 2 3 3 10 4 7 19 5 2 5 24 7 2 2 2 1 2 3 2 0 5 24 82 23 7 0 6 7 5 1 3 6 8 8 9 6 11 10 4 6 20 6 3 3 3 2 5 4 47 100 5 6 1 9 49 7 4 4 10 4 2 1 1 2 9 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 1 1 1 1 1 1 1 1 0 1 1 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 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 2 2 1 2 4 3 1 2 3 3 5 3 4 3 7 9 13 19 16 56 62 29 17 7 4 2 3 1 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 73 73 m 2H \| 70 70 tt 1H J 14 75 \| 69 69 m 2H \| 44 42 m 2H \| 41 40 dd 1H J 59 109 \| 37 36 dt 1H J 83 111 \| 36 35 dtd 1H J 9 81 110 \| 22 21 dtd 1H J 73 82 115 \| 20 19 dtd 1H J 71 82 115 \| 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(O)c1c[nH]c2cc(Cl)c(-c3ccc(C4(C(=O)O)CCC4)cc3)cc12	ir: 2 1 1 1 1 1 1 1 1 1 2 2 1 4 2 2 6 2 10 2 1 6 13 47 42 11 4 3 2 2 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 6 9 1 2 3 4 2 1 1 1 3 4 8 1 4 2 2 3 3 0 3 4 6 15 15 1 2 2 1 1 1 2 1 1 1 1 2 1 1 1 1 4 3 1 2 4 9 4 2 1 2 1 1 2 12 3 2 3 1 1 0 2 1 3 2 4 2 1 0 1 1 1 0 1 1 0 0 1 1 3 2 1 2 1 7 1 1 2 3 6 4 2 1 3 4 8 3 1 2 1 4 2 1 1 2 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 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 2 5 12 4 1 3 3 1 2 1 1 8 100 10 2 1 1 1 1 1 1 1 1 1 1 1 1 1 10 13 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 0 0 1 1 1 0 1 1 0 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 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 81 80 m 2H \| 78 77 m 2H \| 77 77 s 1H \| 74 73 m 2H \| 24 23 dt 2H J 76 128 \| 22 21 dt 2H J 75 128 \| 18 17 pd 2H J 22 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCCC(=O)Nc1cccc(Br)n1	ir: 2 1 2 1 3 6 1 2 2 2 1 1 0 1 0 1 1 3 3 2 1 2 4 3 4 2 1 1 1 2 5 5 4 7 22 89 38 19 3 10 8 5 4 4 6 14 52 26 25 10 11 5 6 3 1 0 2 2 2 0 1 1 1 3 6 3 1 2 1 1 0 0 0 0 0 0 1 1 4 9 2 3 1 1 0 0 0 0 0 0 1 1 1 1 2 2 1 2 16 4 4 2 2 1 2 1 1 2 1 1 2 8 10 2 2 1 2 6 3 4 9 4 2 3 8 7 6 8 7 3 1 3 4 3 2 8 4 1 1 1 2 10 8 7 14 38 8 8 3 100 13 6 4 5 48 5 3 15 7 4 1 0 1 1 1 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 3 4 4 1 2 1 2 1 1 1 10 13 6 3 26 24 5 1 2 1 1 0 0 2 1 0 0 1 1 0 0 1 3 1 2 3 4 5 39 41 13 2 3 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 94 93 s 1H \| 79 78 dd 1H J 12 78 \| 77 76 t 1H J 77 \| 73 73 dd 1H J 11 77 \| 37 36 s 3H \| 26 25 t 2H J 86 \| 25 24 t 2H J 86 \| 19 18 p 2H J 87	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CC(=O)Nc2ncnc(N3CCC(c4nc(C(F)(F)F)cn4CCNC(C)(C)C)CC3)c21	ir: 1 3 1 5 16 8 4 5 8 7 27 8 4 3 5 5 3 4 2 4 6 6 2 1 1 1 1 1 1 1 7 2 1 5 1 6 2 5 6 2 10 11 30 9 3 8 2 4 7 3 2 4 6 1 3 16 2 4 6 18 7 12 6 9 4 2 3 2 4 2 2 3 2 2 9 2 1 1 3 4 10 2 3 13 6 3 2 5 1 1 2 3 8 4 2 26 14 12 2 5 25 34 9 6 7 7 30 7 4 14 12 31 21 27 27 12 12 9 48 25 17 31 9 8 8 9 6 19 24 10 41 19 5 4 1 2 3 3 1 1 1 1 3 2 2 1 2 2 2 2 1 12 60 29 8 3 1 1 1 1 1 0 0 1 2 3 3 21 3 2 1 0 0 1 1 0 0 1 0 0 0 1 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 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 7 17 6 7 15 16 9 9 8 4 10 37 18 30 100 23 13 9 17 40 4 2 4 2 0 0 1 1 1 1 2 2 2 1 3 4 9 27 3 12 30 52 7 10 3 5 6 2 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 1 0 0 0 0 0 0; 1HNMR: 99 98 s 1H \| 83 83 s 1H \| 74 73 dtd 1H J 7 19 27 \| 41 40 m 4H \| 38 37 ddd 2H J 61 89 135 \| 34 33 m 2H \| 30 29 m 3H \| 27 27 dd 1H J 90 157 \| 26 25 t 1H J 45 \| 23 22 dddd 2H J 52 62 90 134 \| 21 20 dddd 2H J 53 62 90 134 \| 15 15 d 3H J 89 \| 12 11 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1cccc(C2(Oc3ccccc3)OOC23C2CC4CC(C2)CC3C4)c1	ir: 0 1 3 1 0 2 4 3 2 4 4 2 1 3 4 2 2 2 2 3 2 2 3 1 1 2 1 1 2 4 5 1 3 2 2 1 2 3 3 9 24 10 4 4 2 1 7 10 9 4 3 2 2 2 1 2 3 2 6 1 2 6 1 1 5 3 2 2 21 6 3 2 2 3 3 3 6 11 8 2 8 6 5 47 88 19 2 1 2 2 1 2 2 2 1 1 2 1 2 1 2 1 1 1 2 2 1 1 4 5 3 4 5 4 2 11 10 4 1 1 3 3 2 4 4 2 3 3 6 7 4 3 2 2 4 8 7 2 1 2 7 10 6 18 11 5 3 2 2 2 2 3 7 9 2 7 7 1 1 7 4 4 3 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 0 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 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 2 3 2 2 2 1 1 1 3 3 2 2 2 2 2 3 4 3 4 5 3 5 5 9 15 13 100 45 13 4 5 3 2 7 69 76 15 1 0 1 3 2 1 2 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 2 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 78 78 s 1H \| 74 73 m 2H \| 73 72 dd 1H J 66 79 \| 72 71 ddd 1H J 12 21 66 \| 70 70 m 3H \| 68 67 m 2H \| 23 22 p 2H J 53 \| 20 19 m 6H \| 17 16 dt 6H J 53 125	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cccc(-c2ccn[nH]c2=O)c1	ir: 4 2 1 3 4 3 2 4 5 4 1 4 6 8 4 3 11 29 2 5 5 2 1 3 3 1 2 5 5 2 2 4 8 12 9 25 11 2 3 4 5 3 5 6 4 5 7 5 26 100 12 19 9 1 4 6 4 0 3 6 2 0 3 6 2 1 4 6 5 6 5 5 10 14 11 4 2 6 9 5 9 5 6 6 9 6 6 3 2 2 3 4 2 2 3 3 1 2 3 3 1 2 4 3 3 3 4 3 1 2 3 3 3 4 16 15 11 12 6 5 1 3 5 2 2 4 8 6 6 4 5 3 1 3 3 2 1 5 9 6 7 14 7 2 5 5 5 4 21 8 6 2 11 11 10 5 4 5 5 8 43 12 7 14 7 8 3 1 3 4 2 1 2 4 2 1 2 4 2 1 2 3 3 2 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 3 1 2 4 2 1 3 6 5 3 11 41 23 21 10 4 4 2 2 3 3 3 4 3 2 2 3 3 3 3 4 5 7 9 13 12 23 24 16 6 2 3 3 4 3 2 4 3 2 2 3 2 1 2 3 3 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 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 80 79 t 1H J 22 \| 79 78 dddd 2H J 11 22 71 92 \| 77 77 d 1H J 73 \| 76 75 dd 1H J 65 72 \| 74 74 d 1H J 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)Cc1ccc(C(F)(F)F)cc1C(F)(F)F	ir: 2 1 2 2 1 1 2 2 2 3 4 3 4 5 4 4 2 6 7 12 15 25 8 7 12 6 2 2 2 1 3 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 2 3 3 3 2 3 2 2 9 11 5 1 1 1 1 1 3 5 2 2 3 6 7 1 1 2 1 1 2 4 5 0 10 6 4 3 2 2 2 2 2 2 1 2 2 2 2 2 2 3 1 4 38 100 18 5 1 2 2 2 5 4 3 2 1 1 2 2 5 9 3 2 1 2 2 1 2 2 3 1 2 2 2 2 2 2 1 1 1 1 1 1 1 2 4 3 9 8 8 4 3 4 3 2 3 4 1 1 1 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 1 1 1 1 1 2 3 1 1 1 1 1 2 3 3 6 14 7 3 2 1 1 1 1 1 2 6 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; 1HNMR: 79 79 m 1H \| 76 75 ddt 1H J 13 25 63 \| 73 73 dt 1H J 9 65 \| 37 37 d 2H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(N2CCN(C(=O)Nc3cc(C)c(C)nc3OC)CC2)cc1O	ir: 39 21 46 10 7 7 7 4 6 2 2 2 1 2 1 1 2 1 1 3 4 3 3 2 4 3 2 6 3 2 2 1 3 4 4 3 46 65 15 18 12 34 29 17 10 7 15 18 8 8 2 6 4 3 15 1 1 4 3 1 2 2 4 9 14 8 6 22 38 21 14 4 7 4 4 3 3 8 9 18 5 5 12 4 3 3 2 6 4 3 3 3 4 3 7 13 14 33 48 10 8 5 3 2 2 1 1 1 2 4 2 3 6 1 2 1 2 2 4 7 4 1 2 2 1 1 2 4 3 2 5 2 12 4 4 8 11 19 9 2 3 10 100 16 15 14 9 12 6 1 3 25 60 5 14 13 2 2 1 0 1 2 2 0 3 1 1 1 1 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 1 1 0 1 0 1 1 1 1 1 1 0 1 0 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 3 3 1 2 1 2 2 8 14 10 13 39 21 10 4 2 2 3 4 85 61 5 3 2 1 0 1 2 1 0 2 2 8 13 27 19 16 11 5 5 3 1 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 s 1H \| 74 74 s 1H \| 72 72 s 1H \| 67 67 d 1H J 91 \| 66 65 dd 1H J 21 91 \| 63 63 d 1H J 22 \| 40 40 s 3H \| 38 38 s 3H \| 36 35 m 5H \| 33 32 m 4H \| 24 24 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.
O=C1CCc2cc(OCCCCSc3ccc(F)cc3)ccc2N1	ir: 3 2 2 5 4 2 2 2 1 2 2 6 5 3 2 3 4 13 8 2 2 2 1 10 5 2 2 6 5 13 83 13 7 2 6 19 9 2 3 6 3 6 10 8 3 0 4 4 1 1 2 4 3 17 25 12 3 1 3 3 3 7 5 2 8 6 5 4 8 7 2 2 1 4 4 1 1 0 1 1 1 2 1 1 1 2 2 3 2 13 3 8 6 1 2 5 6 14 8 2 2 2 6 7 2 9 2 3 10 2 2 2 1 2 6 10 4 3 5 13 8 5 4 7 8 4 2 1 1 3 3 6 16 8 1 3 2 1 1 1 1 1 2 3 8 57 6 1 3 5 16 10 9 9 23 100 18 4 2 4 2 2 4 49 2 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 2 1 1 3 2 4 7 5 6 2 2 2 1 2 3 8 24 14 38 73 15 17 6 3 2 2 1 1 2 2 1 1 1 1 2 1 1 2 3 5 6 4 3 22 33 28 9 24 5 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 95 95 s 1H \| 74 73 d 1H J 89 \| 73 73 m 2H \| 71 70 m 2H \| 68 68 dd 1H J 22 90 \| 67 66 dt 1H J 9 20 \| 40 40 t 2H J 58 \| 29 28 m 4H \| 28 27 m 2H \| 19 18 m 2H \| 17 16 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-n2nc(N)c3csc(N)c3c2=O)cc1	ir: 2 3 5 3 5 4 2 6 4 2 3 2 5 5 4 2 4 4 3 7 4 3 5 2 3 7 6 10 38 10 7 3 3 4 3 2 2 5 2 2 2 2 2 2 2 3 2 2 2 2 2 3 3 4 4 5 8 4 6 5 2 2 2 2 2 1 2 3 1 2 2 1 1 1 2 2 2 2 2 5 5 5 8 2 2 2 2 2 4 1 2 2 1 1 2 2 2 1 1 2 3 1 1 1 1 1 1 1 1 2 4 2 3 1 1 1 1 1 1 2 2 6 4 2 2 2 1 3 4 1 2 2 2 1 1 2 3 14 2 1 2 2 2 1 8 1 2 3 6 7 9 9 30 65 9 28 28 10 9 4 9 4 2 2 2 2 2 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 1 2 2 1 1 2 2 2 2 2 3 1 9 6 7 3 5 3 3 2 2 2 1 1 2 2 2 1 2 3 1 100 13 2 2 2 2 2 2 1 3 3 3 6 71 0 4 2 0 1 2 2 1 1 2 2 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 1 1 1 1 1 1; 1HNMR: 76 75 m 2H \| 71 71 s 1H \| 70 70 m 2H \| 63 63 s 2H \| 50 50 s 2H \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(NC(=O)c2cccc(F)c2)cc1-c1ccc2[nH]c3ncncc3c2c1	ir: 1 4 8 2 2 4 22 17 10 3 5 4 2 4 3 2 1 2 3 7 2 2 4 2 3 8 4 8 2 15 7 2 4 13 6 6 4 16 75 67 81 26 4 3 4 4 3 4 5 2 7 2 9 40 43 8 7 1 2 1 1 1 1 1 2 3 11 16 17 13 5 2 2 2 2 2 2 4 1 1 4 2 1 0 1 1 1 1 3 1 1 10 3 8 5 6 5 47 2 2 6 21 3 1 2 4 11 6 2 3 1 7 10 7 2 3 2 2 3 2 3 12 2 2 3 2 12 5 2 2 1 1 1 1 1 1 1 5 16 47 7 4 7 5 21 3 59 28 8 14 61 17 27 16 24 17 19 2 8 100 7 7 5 4 4 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 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 2 1 0 2 2 2 5 7 11 29 94 31 12 9 8 3 1 1 2 1 1 2 1 1 2 2 2 2 1 2 6 11 5 18 59 20 21 43 15 4 4 3 1 2 2 1 1 2 1 1 1 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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; 1HNMR: 90 90 d 1H J 17 \| 88 88 d 1H J 16 \| 85 85 s 1H \| 85 84 d 1H J 24 \| 79 78 dd 1H J 21 78 \| 78 77 m 3H \| 76 76 d 1H J 84 \| 76 75 m 2H \| 74 73 m 1H \| 73 72 dq 1H J 10 79 \| 25 24 d 3H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cnn(-c2ccccc2F)c1C	ir: 1 1 2 4 2 14 6 3 0 1 1 3 1 1 1 1 1 5 1 1 1 1 1 1 1 1 1 0 2 12 5 2 1 2 5 1 0 1 3 2 1 4 27 33 4 1 1 1 1 1 3 1 1 1 1 0 1 1 2 1 1 1 1 1 1 2 2 7 1 2 3 2 1 2 15 6 1 1 1 1 1 1 1 1 1 1 1 3 4 2 1 1 1 2 0 0 2 7 1 6 1 2 1 1 1 1 0 1 1 1 0 1 28 1 10 1 5 4 8 2 1 2 6 4 3 2 2 9 11 1 3 1 1 2 1 1 1 29 15 2 1 1 2 1 0 6 3 2 21 1 3 22 1 0 0 2 3 7 1 1 5 0 1 1 1 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 1 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 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 0 1 1 1 0 1 3 3 5 10 9 3 100 12 2 1 3 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 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 0 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 1 0 0 0 1 0 0 0 1; 1HNMR: 81 80 s 1H \| 76 76 ddd 1H J 15 36 82 \| 75 73 m 2H \| 73 72 ddd 1H J 15 69 102 \| 38 38 s 3H \| 26 25 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

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