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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
O=Cc1ccc(OCC(O)CO)cc1	ir: 4 8 6 8 5 8 10 9 6 7 5 3 2 6 4 2 1 2 3 5 5 3 4 3 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 2 1 0 1 0 1 1 1 1 4 6 7 9 9 9 2 2 2 2 1 1 1 1 1 2 2 3 12 3 1 6 2 3 2 1 2 1 2 2 1 1 1 1 2 5 5 6 30 45 42 36 25 6 11 9 1 1 4 2 3 1 5 3 2 1 8 11 2 2 1 1 0 0 0 0 0 0 1 1 1 3 3 1 3 2 1 4 6 1 1 0 1 0 0 0 0 0 0 0 0 0 0 2 1 6 3 3 1 1 1 10 8 4 7 2 2 1 1 0 0 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 1 2 1 1 1 1 1 1 1 1 1 0 1 2 2 3 5 9 22 36 20 6 4 2 4 9 24 68 100 13 6 2 2 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 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; 1HNMR: 99 98 s 1H \| 79 78 m 2H \| 70 70 m 2H \| 40 39 m 2H \| 38 37 m 1H \| 37 36 m 2H \| 36 35 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2c(C(=O)Nc3ccc(Oc4cccnc4Cl)nc3)c[nH]c2c1	ir: 7 9 10 6 6 7 13 6 5 6 5 5 4 4 5 3 6 11 4 2 3 8 5 8 16 41 43 19 10 7 5 6 6 19 26 10 14 36 20 7 7 11 13 14 24 13 13 7 7 9 6 8 11 23 77 6 7 11 6 1 7 13 27 16 5 7 5 3 5 11 11 3 5 5 3 1 4 5 3 2 4 4 6 4 7 5 4 6 14 6 3 3 5 8 7 6 14 7 2 3 6 6 2 7 22 12 4 7 31 23 2 4 5 7 3 3 6 7 3 4 6 8 1 4 15 65 26 7 3 4 2 4 3 3 5 5 16 30 20 14 8 11 100 16 15 6 11 5 27 28 27 28 11 15 10 42 24 10 4 5 3 6 4 4 5 1 3 4 3 0 2 5 3 0 3 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 1 1 3 3 1 2 3 3 1 2 4 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 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 3 3 1 1 3 3 1 2 3 3 1 2 4 3 2 2 4 3 2 3 5 4 1 3 5 4 5 4 23 20 76 34 34 9 13 11 9 4 3 3 5 3 4 3 5 4 3 3 4 2 3 7 7 3 6 15 62 89 14 10 12 3 4 4 4 2 3 4 3 2 3 3 3 2 3 4 3 1 2 4 3 1 2 4 2 1 3 3 2 1 2 4 2 1 3 3 2 1 3 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 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 4; 1HNMR: 85 85 d 1H J 19 \| 82 82 m 2H \| 80 80 d 1H J 82 \| 79 79 dd 1H J 20 86 \| 74 74 dd 1H J 11 20 \| 72 71 m 4H \| 68 68 d 1H J 86 \| 25 25 d 3H J 8	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1COc1ccc(-c2cc3c(s2)c(=O)ncn3Cc2ccc(Cl)cc2)cc1	ir: 1 1 3 2 3 5 3 2 3 6 8 4 5 1 2 1 2 2 1 2 1 2 1 1 4 3 8 2 2 10 15 3 2 5 4 6 4 3 4 5 5 41 23 8 4 2 3 4 2 2 2 3 8 13 14 24 12 11 8 7 2 3 2 2 2 2 5 3 3 5 3 1 3 2 3 5 2 1 1 1 1 8 0 3 2 3 1 2 5 6 3 2 2 5 14 12 2 5 4 3 4 2 0 2 5 1 0 4 11 6 2 1 1 1 1 2 5 5 3 4 3 7 7 11 6 2 13 5 2 1 1 1 1 0 0 1 3 19 2 1 0 1 1 11 11 3 11 11 6 15 7 4 3 42 2 2 1 0 1 4 1 0 14 2 1 4 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 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 1 1 0 1 1 1 1 1 1 4 2 2 1 1 2 2 6 11 22 13 24 100 24 17 9 3 2 2 5 10 2 2 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 t 1H J 9 \| 77 77 m 2H \| 74 73 m 5H \| 72 71 td 1H J 15 75 \| 71 70 m 3H \| 69 69 dd 1H J 10 74 \| 68 68 s 1H \| 54 53 q 2H J 9 \| 51 51 d 2H J 10 \| 38 37 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)c1cc(Br)nc(N(Cc2ccccn2)Cc2ccccn2)c1	ir: 11 5 4 30 19 5 12 7 4 3 2 4 4 2 1 1 8 2 5 11 11 12 14 5 4 2 10 8 36 28 8 5 3 4 36 10 4 1 39 13 10 5 8 6 3 7 8 3 2 2 4 3 6 4 16 65 10 3 4 5 2 1 3 8 21 6 33 17 41 40 18 4 4 11 3 3 3 3 8 28 7 2 6 5 5 29 14 7 6 33 9 1 3 3 1 6 7 7 0 26 15 12 12 4 3 5 8 3 2 3 4 5 9 37 14 18 8 3 3 4 7 6 5 4 8 4 3 52 35 20 12 19 70 16 15 66 23 17 16 11 9 5 7 14 25 8 4 5 16 3 3 6 3 7 11 12 36 82 9 1 3 23 100 10 4 4 2 1 2 2 1 1 1 2 1 1 2 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 1 1 1 1 1 1 1 1 2 1 1 1 1 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 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 3 4 4 2 2 4 4 5 7 8 5 32 72 64 13 15 8 3 2 2 3 4 2 3 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 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 87 dd 2H J 17 41 \| 85 84 td 2H J 17 76 \| 76 75 dq 2H J 11 78 \| 74 74 m 1H \| 72 72 ddd 2H J 13 41 73 \| 71 71 d 1H J 23 \| 49 49 d 4H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOCc1nc2cnc3cc(OCc4ccccc4)ccc3c2n1CC1CCOCC1	ir: 9 5 1 8 12 14 8 15 26 12 10 10 9 7 3 10 21 22 34 9 16 3 7 11 10 8 8 28 9 3 13 29 22 12 5 8 8 6 9 65 33 11 8 19 11 5 6 9 16 19 15 13 5 5 5 12 13 5 9 17 9 9 12 12 7 13 12 9 36 25 36 20 10 11 21 30 11 3 14 15 4 2 7 6 2 2 6 6 15 15 29 10 6 16 24 10 12 9 10 6 1 4 9 5 4 14 26 24 11 9 24 16 6 8 15 6 1 8 8 10 6 14 12 4 5 9 17 8 23 13 10 6 4 14 22 97 23 39 30 14 5 13 17 60 6 7 16 7 5 6 6 6 4 7 27 54 43 10 5 8 8 7 4 1 4 7 7 24 4 8 3 0 3 7 3 0 4 6 3 1 4 6 3 1 4 6 3 1 4 5 2 2 5 5 2 1 5 5 2 2 5 5 2 2 5 4 2 3 5 4 2 2 5 4 1 3 5 4 1 3 6 4 1 3 6 3 1 3 6 3 1 3 6 3 1 3 5 3 1 4 5 3 1 4 5 2 1 4 5 3 1 5 5 2 2 4 5 2 2 5 5 2 3 5 4 2 2 5 4 3 4 6 5 6 7 10 10 7 7 7 8 8 10 10 33 22 15 100 84 15 18 13 8 4 6 9 5 5 5 5 2 2 4 5 2 2 4 5 2 2 5 5 2 2 5 4 2 2 5 4 1 2 5 4 1 2 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 6 3 1 3 5 3 1 3 5 3 1 4 5 3 1 4 5 2 1 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1; 1HNMR: 89 89 s 1H \| 79 78 d 1H J 85 \| 75 74 d 1H J 22 \| 74 74 m 2H \| 74 73 m 2H \| 73 73 m 1H \| 70 70 dd 1H J 21 83 \| 51 50 t 2H J 9 \| 46 45 s 2H \| 39 39 d 2H J 55 \| 37 37 ddd 2H J 27 54 110 \| 36 36 q 2H J 60 \| 35 34 ddd 2H J 26 53 110 \| 21 20 hept 1H J 58 \| 19 18 dtd 2H J 27 57 130 \| 17 16 dtd 2H J 26 56 130 \| 12 12 t 3H J 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cn([C@H]2O[C@@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2F)c(=O)[nH]c1=O	ir: 2 1 1 2 1 1 1 1 1 1 1 3 23 2 1 0 0 1 2 1 0 1 1 1 1 2 1 1 1 1 17 4 1 2 2 1 1 1 2 1 1 32 2 1 2 1 1 0 1 1 1 2 2 8 100 9 1 1 1 1 1 2 1 1 2 1 1 1 2 4 1 0 1 0 1 1 1 2 4 2 2 2 2 2 1 1 0 0 0 0 0 0 0 0 0 1 1 1 0 1 2 2 3 2 2 1 2 2 2 1 1 2 2 2 1 5 7 2 2 2 2 1 1 3 5 2 2 1 1 1 1 1 1 1 4 1 1 3 0 1 1 0 4 7 5 5 4 6 1 1 2 8 3 1 1 11 5 1 1 1 1 1 1 0 3 7 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 2 2 2 3 2 5 5 9 9 5 2 3 3 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 1 9 6 2 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 s 1H \| 81 80 m 2H \| 80 80 m 2H \| 76 75 m 2H \| 75 74 m 5H \| 62 61 m 1H \| 54 53 m 1H \| 52 51 ddd 0H J 14 41 55 \| 51 50 ddd 0H J 13 41 55 \| 46 46 ddd 1H J 18 43 125 \| 46 45 ddddd 1H J 15 30 46 59 91 \| 44 43 ddd 1H J 18 45 125 \| 19 18 d 3H J 15	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)/C(=N/NC(N)=O)c1ccc(OCCOc2ccc3ccccc3c2)cc1	ir: 7 10 6 10 20 12 16 7 4 5 11 12 16 6 12 64 26 12 10 6 10 9 4 6 18 9 9 6 12 14 14 9 4 4 5 18 26 9 30 46 94 34 71 9 5 7 7 5 4 6 5 1 14 13 36 6 19 45 17 16 27 11 4 3 4 5 12 13 24 20 13 24 4 4 5 10 12 15 7 5 2 3 2 3 2 2 4 6 9 6 4 2 3 5 3 8 6 21 5 4 11 13 34 48 13 4 5 3 2 2 4 6 2 4 4 2 2 3 6 5 4 4 3 4 3 7 4 3 3 3 5 5 27 43 11 9 4 2 3 2 2 2 2 1 2 5 7 8 8 26 27 21 27 38 14 4 9 51 53 81 6 0 7 6 2 2 2 3 3 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 1 2 1 1 2 1 2 2 2 2 2 2 1 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 2 2 2 2 3 2 1 2 2 2 2 1 2 2 2 1 2 2 1 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 3 2 3 2 3 2 3 3 2 19 9 68 100 30 25 5 5 5 3 4 4 3 2 2 2 3 3 4 7 53 51 7 3 5 8 20 12 11 9 21 12 16 99 64 11 4 2 5 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 2 1 1 1 2 2 1 1 1 1 2 1 1 2 2 1 1 1 1 2 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1; 1HNMR: 97 96 s 1H \| 77 77 m 2H \| 76 76 dq 3H J 15 86 \| 75 74 dddd 2H J 13 69 79 249 \| 72 71 m 2H \| 70 69 m 2H \| 70 70 s 2H \| 45 44 td 2H J 9 46 \| 44 44 m 2H \| 38 38 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cncc(-c2ccc(CC(F)(F)F)cc2)c1	ir: 39 17 8 6 4 7 4 5 1 3 4 3 6 5 4 7 4 4 3 17 10 3 3 2 1 10 3 1 2 10 3 21 31 37 38 4 5 12 4 2 2 2 2 3 3 3 2 3 5 2 3 2 3 3 5 18 46 7 8 19 2 3 2 1 4 2 2 3 17 32 4 4 11 3 2 3 3 3 2 3 18 4 6 3 2 36 6 4 16 11 19 8 3 2 2 3 3 3 3 10 4 34 1 3 19 13 1 2 3 2 4 4 4 5 5 31 58 21 13 27 24 22 11 8 23 22 17 5 8 3 15 4 3 3 3 2 2 2 2 2 1 4 4 1 3 100 0 19 9 4 2 7 31 3 3 7 7 21 11 6 11 31 2 3 6 1 2 3 2 1 1 2 1 1 1 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 3 3 2 2 2 3 3 4 4 10 8 37 86 30 17 7 5 4 3 2 2 3 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 91 90 t 1H J 17 \| 89 88 t 1H J 16 \| 85 85 t 1H J 17 \| 76 76 m 2H \| 75 74 dt 2H J 9 73 \| 39 39 s 2H \| 33 32 qt 2H J 9 101	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1cccc2c(OCCc3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)ncnc12	ir: 4 3 3 5 5 4 3 4 4 3 3 7 14 12 6 4 5 4 4 4 4 5 8 5 4 3 4 6 6 23 36 20 6 5 9 12 25 12 7 15 18 8 4 5 6 22 38 7 4 5 5 5 13 10 27 67 8 10 8 2 4 4 3 3 3 5 15 3 5 9 7 7 5 4 4 6 4 3 4 3 3 3 4 4 5 8 5 4 7 6 4 3 4 4 4 6 5 5 21 19 8 4 4 4 6 10 4 4 5 12 10 14 9 18 4 5 6 4 3 3 4 4 5 6 12 27 34 6 5 4 3 4 5 5 7 18 67 31 15 5 3 4 8 17 24 14 5 5 23 64 25 8 10 9 7 47 6 8 12 18 97 3 4 19 18 0 3 5 3 2 3 4 3 2 3 4 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 3 3 3 4 4 7 9 8 23 100 69 7 7 8 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 3 3 3; 1HNMR: 86 86 m 2H \| 82 82 ddt 1H J 13 30 70 \| 81 81 dd 1H J 6 94 \| 76 75 td 1H J 52 90 \| 74 73 ddd 1H J 7 86 101 \| 73 73 d 1H J 70 \| 71 70 dt 2H J 9 85 \| 69 69 m 2H \| 44 43 t 2H J 68 \| 31 31 tt 2H J 9 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
SC1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1	ir: 5 5 10 2 2 2 3 3 11 3 10 9 8 8 11 7 9 2 2 4 1 3 4 3 2 3 2 2 6 3 4 2 3 2 2 4 4 1 1 2 2 9 2 2 2 2 2 1 6 3 1 5 4 10 23 100 2 2 2 2 1 1 1 1 1 4 2 1 2 7 1 1 1 1 2 3 1 2 1 1 1 1 1 1 2 1 3 2 1 1 1 1 2 6 10 3 1 2 1 2 1 1 1 1 1 1 1 1 2 3 2 1 1 1 1 2 2 2 3 2 2 2 3 7 3 5 5 4 11 3 5 3 1 4 6 4 28 16 9 10 25 6 3 3 1 2 7 23 6 3 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 0 1 1 1 0 1 1 0 0 1 2 3 5 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 3 2 4 2 2 3 8 21 58 8 4 5 4 3 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 2 9 5 11 34 8 6 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 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 77 s 1H \| 74 74 m 4H \| 73 73 m 2H \| 73 72 m 2H \| 56 56 d 1H J 60 \| 53 53 m 1H \| 52 52 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CCCCCCCCC(=O)OCCCCO)OCCCCO	ir: 22 11 7 18 9 19 8 16 18 16 23 17 15 17 15 7 18 5 16 12 16 12 10 18 17 17 6 13 7 5 11 7 8 9 9 8 6 5 3 8 8 11 7 3 5 4 5 7 5 6 5 5 3 2 4 1 4 2 4 2 5 5 12 12 11 4 2 4 5 7 12 2 2 2 2 2 1 1 2 3 4 3 5 6 10 15 35 45 41 12 18 32 37 64 64 42 35 13 21 8 12 7 7 8 16 13 1 6 15 9 10 9 8 17 6 11 17 11 14 11 23 7 20 10 6 8 9 8 12 5 4 4 10 5 3 2 1 3 2 2 2 2 4 20 77 41 7 4 3 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 2 1 1 1 1 1 1 1 0 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 4 4 6 8 9 8 3 8 4 5 1 8 19 44 21 8 4 4 3 8 29 98 100 95 82 16 2 4 3 3 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 0 0 0 1 0 0 0 0 1 1 0 1 0 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 41 41 t 4H J 58 \| 37 36 q 4H J 57 \| 30 29 t 2H J 59 \| 23 22 t 4H J 85 \| 18 17 m 4H \| 17 15 m 9H \| 13 12 m 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1-c1ncc(Br)cc1Nc1c(C)c(-c2ccccn2)nc2cc(F)cc(F)c12	ir: 7 6 3 2 6 6 3 2 6 2 1 2 4 5 4 4 6 6 4 3 5 10 4 5 4 6 5 19 4 7 5 5 9 16 4 2 7 5 26 13 29 11 21 13 5 2 1 1 1 2 1 8 3 8 34 5 2 2 1 2 8 1 2 6 2 3 13 39 37 13 5 3 3 1 4 6 7 3 3 5 5 3 8 3 2 1 4 2 2 4 6 4 1 1 1 1 1 1 4 3 1 1 1 5 5 2 1 1 2 2 1 7 2 1 1 3 10 21 13 8 2 2 4 3 7 9 5 2 2 44 9 31 6 6 3 17 63 17 30 4 4 0 6 30 17 9 5 14 17 16 4 3 4 6 2 4 5 68 7 22 9 100 2 3 47 4 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 0 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 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 2 2 2 10 5 21 43 49 10 4 3 2 2 2 2 2 1 1 1 1 1 2 2 2 3 1 3 5 13 45 40 28 32 12 6 11 4 7 3 2 2 1 1 0 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 0 1 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 1; 1HNMR: 87 87 s 1H \| 86 86 dd 1H J 17 41 \| 84 83 d 1H J 16 \| 82 81 dd 1H J 14 83 \| 78 78 d 1H J 18 \| 77 76 m 2H \| 75 75 dd 1H J 22 122 \| 74 73 td 1H J 13 76 \| 72 71 m 2H \| 70 70 td 1H J 22 121 \| 69 69 dd 1H J 12 77 \| 39 39 s 3H \| 25 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=O)c1cc(Nc2ccc(F)c(Cl)c2)ccc1N	ir: 2 2 3 1 3 1 2 1 2 7 8 2 4 4 2 4 4 5 4 9 8 7 6 2 9 10 3 6 3 3 2 0 0 1 1 0 1 3 6 3 2 2 1 0 0 1 2 1 6 9 2 0 2 7 94 24 29 0 4 3 1 1 1 3 5 4 13 7 10 1 1 2 0 0 1 1 1 0 2 6 10 1 1 1 0 0 1 1 0 1 1 4 1 0 1 4 1 1 0 0 0 1 0 2 2 3 1 3 12 22 2 1 0 18 1 1 1 2 1 2 1 4 3 1 0 0 0 1 0 0 1 1 1 0 0 0 0 1 1 1 2 1 1 2 5 0 2 4 2 12 4 4 5 5 12 11 29 100 8 4 4 5 14 1 1 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 2 1 1 2 1 2 1 1 2 2 2 8 31 14 4 3 1 1 1 1 0 1 0 1 0 1 1 2 3 2 71 19 2 3 6 14 23 67 7 4 6 6 27 47 19 10 5 2 2 0 0 1 0 0 0 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 2H \| 72 71 m 2H \| 70 69 m 2H \| 62 61 s 2H \| 60 60 s 1H \| 29 28 q 2H J 75 \| 12 12 t 3H J 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](N[S@](=O)C(C)(C)C)c1cc(F)c(OCC(F)(F)F)cc1F	ir: 6 6 12 7 8 9 4 10 9 5 6 5 1 3 3 2 1 2 4 3 12 6 5 9 14 11 22 11 13 14 12 16 19 20 33 30 30 25 8 19 16 8 4 12 13 9 7 10 7 9 3 1 2 7 4 2 1 1 2 1 3 6 3 2 3 4 9 16 25 92 19 8 9 3 4 19 12 4 2 1 2 3 1 12 5 2 2 2 4 9 5 6 4 3 4 6 5 5 20 6 5 10 39 11 38 27 29 46 21 13 3 13 24 22 36 58 2 21 13 13 28 11 14 17 10 5 9 13 25 7 37 7 2 2 1 1 2 1 1 2 3 7 1 1 1 1 1 2 5 1 1 3 42 9 4 2 1 0 1 1 1 0 4 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 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 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 3 4 1 2 1 9 4 4 3 3 6 5 6 8 22 12 12 82 6 5 2 1 2 2 1 2 2 2 1 0 2 2 3 2 5 15 100 65 6 1 2 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 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; 1HNMR: 72 71 ddd 1H J 7 43 120 \| 68 67 dd 1H J 43 121 \| 50 49 m 1H \| 48 47 q 2H J 130 \| 31 31 d 1H J 79 \| 17 17 d 3H J 55 \| 12 12 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cn1cc(C)nc1SC	ir: 8 10 8 7 17 11 12 3 3 2 1 2 2 1 2 2 2 3 3 5 5 2 1 2 6 12 15 5 3 1 1 2 1 1 1 2 3 2 2 2 2 10 6 6 6 9 2 11 2 3 5 6 5 2 3 4 35 26 24 8 5 5 16 16 70 17 5 4 2 4 2 4 7 12 13 29 23 11 7 4 2 1 37 6 3 8 4 8 36 34 13 20 62 27 8 14 22 11 4 6 5 8 55 41 14 10 11 16 66 61 26 49 23 48 23 30 21 100 70 28 17 21 6 11 30 16 44 20 7 5 6 3 6 3 5 3 4 21 13 5 6 5 7 14 9 7 3 2 1 2 2 2 1 2 2 1 1 3 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 3 2 2 5 5 2 3 5 7 12 20 11 13 5 4 9 6 12 26 28 25 19 25 55 84 27 28 31 72 34 20 28 11 6 4 6 2 2 2 2 1 1 1 1 1 1 2 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 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 70 69 t 1H J 12 \| 49 49 d 2H J 10 \| 38 37 s 3H \| 26 25 s 3H \| 23 23 d 4H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=Cc1c(C(=O)O)ccc2ccccc12	ir: 0 1 1 1 3 1 1 1 2 2 2 10 13 2 4 3 4 6 11 6 4 24 100 66 2 8 8 4 1 2 1 2 1 2 14 3 0 1 1 1 1 2 28 1 1 1 2 1 2 1 1 1 3 3 40 0 1 2 1 1 1 1 2 1 1 1 1 0 2 2 31 1 6 4 7 5 6 31 23 3 2 1 4 2 3 4 2 7 5 11 3 1 1 1 1 1 1 1 3 3 2 1 1 1 2 15 1 2 1 1 2 1 1 2 1 1 1 3 13 2 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 15 4 3 2 1 2 8 5 17 2 2 6 5 1 13 4 14 1 0 1 1 1 1 2 1 1 2 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 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 1 0 0 2 2 1 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 1 1 1 0 1 1 1 0 1 1 1 2 2 8 1 1 2 4 10 19 47 5 3 2 3 3 1 1 4 43 37 7 2 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 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 2 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 1 0 0 0 1; 1HNMR: 80 79 dd 1H J 15 75 \| 79 79 m 1H \| 79 78 q 2H J 89 \| 76 75 dtd 2H J 15 75 233 \| 75 74 m 1H \| 58 57 dd 1H J 22 167 \| 56 56 dd 1H J 20 112	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1NC(=O)c2c(I)cccc21	ir: 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 4 1 1 1 1 2 4 4 2 3 21 36 9 1 5 2 1 0 1 1 1 0 1 1 1 0 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 2 1 1 1 1 1 1 2 2 3 1 1 1 1 1 1 1 1 1 2 6 1 1 1 1 1 1 1 1 0 20 0 1 1 1 1 3 1 1 1 1 1 1 1 1 1 0 5 1 1 2 0 100 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 5 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 12 74 \| 79 79 dd 1H J 13 73 \| 75 74 t 1H J 74	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccccc1NC(=O)Nc1ccc(CC(=O)O)c(F)c1F	ir: 1 1 1 1 7 7 3 7 5 6 5 4 8 4 4 7 4 5 13 14 34 25 45 14 16 12 2 8 5 3 3 2 2 2 1 2 3 4 3 3 13 21 14 71 70 46 46 23 7 7 4 8 5 6 4 20 11 8 3 4 1 3 1 1 1 1 1 1 0 1 2 2 2 1 3 7 7 18 27 30 8 5 5 3 4 2 3 3 2 3 7 3 2 3 4 4 1 1 3 5 7 5 13 6 2 3 3 2 2 4 5 22 4 2 4 2 2 4 5 5 3 6 3 1 1 2 2 2 3 5 3 2 1 1 1 3 11 21 11 4 2 3 7 2 6 10 19 19 15 16 20 83 69 81 14 10 12 3 5 11 10 9 2 2 1 0 1 1 0 0 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 1 1 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 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 3 1 1 2 1 1 2 4 6 3 14 33 29 27 5 2 2 3 2 8 23 39 7 4 4 2 2 2 4 2 3 7 6 12 14 100 67 6 4 8 4 3 2 2 1 0 1 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 d 1H J 35 \| 81 80 s 1H \| 75 74 m 2H \| 73 73 ddd 1H J 11 70 79 \| 73 72 m 3H \| 36 36 dd 2H J 7 33 \| 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.
O=C(O)c1ccc2cncc(Br)c2c1	ir: 2 2 2 2 2 2 1 2 2 2 0 10 5 7 1 12 12 6 3 14 72 58 17 3 0 5 7 29 6 9 2 1 1 2 2 1 2 3 2 2 1 2 2 1 1 3 2 1 2 3 4 4 5 4 2 2 2 2 2 3 3 4 1 1 2 2 2 1 7 9 8 10 9 1 3 7 22 97 100 4 6 7 4 2 3 5 5 2 2 2 0 11 13 2 1 1 2 2 2 3 7 4 1 2 9 6 1 2 3 2 2 3 11 5 3 8 6 2 0 2 3 1 1 2 2 3 2 2 2 1 1 2 2 2 2 2 2 2 1 2 4 6 2 2 3 6 8 4 2 1 1 2 2 1 2 17 2 1 2 2 2 1 1 2 2 1 1 8 7 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 4 3 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 5 5 9 10 3 2 1 2 3 2 1 2 12 25 16 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 91 90 t 1H J 19 \| 88 88 d 1H J 15 \| 88 88 d 1H J 16 \| 82 82 dd 1H J 18 87 \| 81 81 dd 1H J 15 89	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)COC1=CC(=O)C(C)(C)C1	ir: 2 2 3 2 2 2 3 3 2 3 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 3 3 3 3 2 2 4 3 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 3 2 3 3 3 3 3 4 4 3 3 3 3 2 3 3 2 2 3 3 3 2 3 6 7 7 6 4 4 3 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 3 4 3 3 2 3 3 3 3 3 4 3 3 4 3 3 2 3 3 3 4 4 3 2 3 4 3 5 4 3 3 2 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 0 100 46 7 4 3 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 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 3 3 2 3 3 2 3 3 3 3 3 3 4 4 6 9 9 3 3 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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; 1HNMR: 56 55 t 1H J 9 \| 38 37 d 2H J 53 \| 20 20 d 2H J 9 \| 19 18 dtt 1H J 55 75 148 \| 12 12 s 5H \| 10 9 d 6H J 74	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C2CN(c3cnnc4cc(OC)c(OCc5ccccc5)cc34)CCO2)cc1	ir: 4 3 1 2 2 2 2 3 3 4 2 5 6 5 4 6 4 3 3 4 5 5 2 1 3 2 2 2 5 2 11 4 5 3 3 3 2 3 5 19 14 5 4 4 3 2 1 2 1 4 7 7 9 8 12 17 27 5 5 4 5 4 6 6 2 9 4 5 15 23 9 14 4 2 2 2 2 2 7 14 4 9 3 4 2 2 4 5 8 5 2 3 2 2 3 3 8 16 4 4 1 1 1 2 1 4 4 1 0 1 1 2 2 2 2 1 2 2 2 3 2 3 2 2 3 2 2 4 3 5 6 2 1 1 6 13 0 2 1 1 1 3 15 25 5 3 1 3 22 14 9 4 4 4 2 4 6 2 2 1 2 2 4 1 1 1 1 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 2 3 2 7 11 17 13 45 100 23 4 5 2 0 2 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 84 83 s 1H \| 76 76 s 1H \| 74 73 m 4H \| 73 73 m 1H \| 73 73 s 1H \| 73 72 m 2H \| 70 69 m 2H \| 51 51 d 2H J 9 \| 51 51 m 1H \| 41 40 dd 1H J 33 125 \| 40 39 ddd 1H J 37 58 103 \| 39 39 s 2H \| 39 37 m 2H \| 38 38 s 3H \| 36 35 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@@H]1CCCN1C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1	ir: 3 2 2 2 2 1 1 2 2 1 1 2 3 4 2 2 7 6 7 3 2 2 3 1 1 1 1 1 1 1 3 3 3 27 5 18 3 6 16 12 4 2 1 0 1 2 1 0 1 4 2 2 7 30 100 32 5 20 5 4 3 8 2 5 4 0 2 4 3 6 1 4 2 0 2 4 2 1 2 2 2 27 6 4 4 10 14 10 3 1 2 4 1 2 3 2 7 6 9 22 14 2 3 5 7 4 3 2 2 4 17 13 49 9 8 3 3 4 4 3 3 4 3 14 17 3 2 5 8 7 32 8 2 1 3 1 1 2 2 1 0 2 3 3 31 8 16 5 6 5 3 9 6 5 1 1 1 1 1 1 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 5 3 6 2 3 2 5 3 6 21 9 10 77 29 1 3 4 5 1 2 2 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 79 78 m 2H \| 78 78 m 2H \| 78 77 m 2H \| 77 76 dq 2H J 14 109 \| 41 40 tddt 1H J 19 38 57 76 \| 37 36 m 1H \| 36 35 m 1H \| 29 28 dd 1H J 54 109 \| 27 26 m 1H \| 27 26 m 2H \| 26 25 ddtt 1H J 18 37 54 71 \| 20 17 m 7H \| 16 15 m 2H \| 14 13 m 1H \| 9 8 td 3H J 15 77	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C2(CO)CC2)cc1	ir: 2 2 4 2 2 2 1 2 4 2 1 2 1 4 4 2 2 2 3 5 3 3 1 2 1 2 2 2 1 0 0 1 2 1 2 9 7 2 2 5 5 2 1 1 1 1 1 1 1 1 2 2 3 2 15 14 19 3 2 2 3 3 4 5 1 2 2 1 2 8 17 2 2 2 1 1 2 2 2 2 3 3 3 3 23 50 60 45 13 8 4 3 3 3 3 2 2 1 1 1 1 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 1 1 1 2 1 1 2 2 2 3 3 1 1 3 2 2 1 1 1 0 0 1 1 0 0 1 1 1 0 1 2 6 12 6 12 16 7 3 2 1 1 1 1 1 1 1 2 1 1 1 1 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 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 5 1 2 4 3 11 17 51 11 7 5 3 5 5 7 100 39 1 2 1 1 2 3 2 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 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 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; 1HNMR: 72 72 m 2H \| 68 68 m 2H \| 38 38 s 2H \| 37 37 d 2H J 44 \| 17 16 t 1H J 45 \| 12 11 m 2H \| 9 9 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2nccc(Oc3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)c2cc1OC	ir: 0 1 1 1 1 1 2 1 1 1 2 2 0 1 1 5 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 0 0 1 1 0 1 0 0 1 0 1 1 1 0 1 1 1 1 1 4 4 5 15 5 35 46 2 2 1 3 3 1 2 1 1 1 5 14 9 3 2 4 6 5 2 1 1 1 1 1 1 0 0 1 1 1 5 1 1 1 1 0 1 0 1 1 6 2 1 1 0 1 1 1 1 1 1 1 0 1 1 2 4 1 5 3 2 1 2 1 1 1 1 1 2 2 2 1 1 1 1 2 2 0 1 1 1 0 1 1 0 0 1 1 1 4 31 25 14 46 7 13 3 2 10 6 4 3 15 1 1 1 0 0 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 3 4 6 8 15 100 14 3 4 2 1 0 2 2 1 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 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 49 \| 77 76 s 1H \| 74 74 m 3H \| 71 71 m 2H \| 70 70 m 2H \| 69 69 d 1H J 49 \| 68 68 m 2H \| 39 39 s 3H \| 39 38 s 3H \| 13 13 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(CC=C(C)C)C(C)=O	ir: 4 4 15 18 7 8 8 3 4 4 2 2 3 2 3 3 3 2 1 2 2 5 8 7 9 3 2 1 1 1 2 1 1 0 1 1 1 0 1 3 2 2 1 1 1 1 1 1 1 1 1 1 2 0 1 1 1 1 2 2 2 0 10 4 6 4 7 3 6 4 7 5 2 3 4 3 2 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 6 4 4 2 1 2 2 2 2 5 8 4 2 1 2 3 1 2 3 3 4 5 9 6 6 11 2 4 11 9 19 7 7 8 3 3 5 2 2 2 7 2 1 4 5 3 13 10 100 9 5 2 1 2 1 0 1 1 1 0 1 3 4 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 2 1 3 2 2 1 2 3 2 2 2 6 8 4 6 17 21 16 11 2 3 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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; 1HNMR: 52 51 tdt 1H J 16 34 75 \| 37 37 s 2H \| 37 36 tp 1H J 15 84 \| 25 24 m 1H \| 23 22 m 1H \| 22 22 d 3H J 17 \| 17 16 dh 3H J 12 24 \| 16 16 hept 3H J 12	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1-n1ncc(C(=O)O)c1C(F)(F)F	ir: 2 2 1 1 2 1 1 1 1 3 6 3 7 2 1 1 2 17 6 3 13 100 12 3 4 1 1 2 1 1 1 1 12 1 0 1 1 1 1 2 8 1 3 7 16 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 4 1 1 1 1 2 7 9 8 24 4 2 2 1 3 4 5 3 4 3 1 1 1 1 1 0 1 1 1 27 9 1 1 19 2 10 1 1 1 1 1 1 1 1 2 1 2 1 1 2 1 1 4 10 1 1 1 5 1 1 1 1 1 0 1 1 0 24 1 8 20 12 1 1 2 2 3 1 4 16 4 1 1 2 3 1 2 3 8 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 2 1 4 57 13 5 2 1 1 0 1 1 8 56 8 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 82 82 s 1H \| 77 76 dd 1H J 13 73 \| 74 73 td 1H J 12 71 \| 73 72 td 1H J 14 71 \| 71 70 dd 1H J 12 71 \| 39 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(=Cc1cc(OC)cc(OC)c1)c1ccc(Oc2ccc(C=O)cc2)cc1	ir: 2 4 3 3 1 1 2 2 2 2 3 3 4 1 1 1 1 1 1 1 1 3 2 2 1 2 2 0 1 2 2 1 3 2 4 2 5 2 1 2 2 2 1 1 1 1 1 1 1 2 2 2 6 12 12 7 12 6 1 1 1 6 1 3 3 4 6 0 6 29 3 9 3 3 1 3 2 1 1 1 1 1 1 1 1 3 1 5 3 2 1 2 1 1 0 5 7 2 2 2 3 5 4 2 3 2 1 1 1 1 0 7 1 1 1 2 1 1 2 3 2 2 3 4 7 6 8 3 3 4 5 2 1 1 1 1 1 1 1 1 1 1 4 4 19 4 3 11 5 8 4 19 6 3 6 7 2 2 1 2 12 12 3 3 1 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 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 1 1 2 0 1 1 1 0 1 1 1 0 2 3 2 1 4 10 16 100 30 9 5 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 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 99 99 s 1H \| 80 80 m 2H \| 77 77 s 1H \| 76 75 m 2H \| 73 73 m 2H \| 70 70 m 2H \| 68 67 d 2H J 22 \| 64 64 t 1H J 22 \| 38 38 s 5H \| 37 37 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC12CC3C[C@H](C1)CC(C(=O)NC1CCN(CCc4ccc(F)cc4)C1)(C3)C2	ir: 0 1 2 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 2 1 1 1 1 1 1 0 2 1 1 5 7 9 6 2 1 1 1 1 1 2 1 1 1 2 3 2 1 1 1 2 5 3 3 4 16 6 1 1 1 1 1 2 3 3 3 1 5 3 1 0 1 1 1 0 1 4 5 2 3 2 2 1 2 2 1 1 3 2 0 1 1 2 1 2 1 1 2 3 4 2 1 2 2 1 2 2 2 2 3 1 1 1 0 1 2 2 3 7 5 3 4 5 2 6 3 2 6 0 26 43 8 2 1 1 1 1 1 2 3 13 7 9 1 4 1 1 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 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 1 1 0 0 1 0 0 1 1 1 2 4 1 1 1 1 1 1 2 2 4 5 7 3 2 1 1 1 1 1 0 1 1 1 5 9 13 5 4 4 4 1 0 6 100 41 9 6 4 4 2 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 m 2H \| 71 70 m 2H \| 58 57 d 1H J 75 \| 42 41 dtt 1H J 22 31 74 \| 29 26 m 7H \| 26 25 m 1H \| 26 25 s 2H \| 22 19 m 8H \| 19 18 d 1H J 152 \| 18 18 dd 1H J 53 137 \| 18 17 m 1H \| 18 17 m 2H \| 16 14 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCSc1ccccc1-c1nc2cc(C(F)(F)F)cnc2n1C	ir: 2 2 1 2 3 3 1 4 4 8 11 5 3 1 2 2 2 1 1 2 3 8 7 4 21 19 4 2 2 4 4 6 2 3 2 2 2 4 9 41 83 56 13 33 37 1 2 7 3 2 2 3 2 0 2 4 2 1 2 3 1 0 2 3 3 2 7 10 11 3 2 3 1 1 2 3 3 1 2 3 2 1 2 2 2 6 5 3 2 1 3 5 4 2 11 19 5 2 59 100 3 3 13 5 2 2 3 3 8 10 9 13 2 3 6 6 2 6 6 9 3 3 5 9 7 27 25 7 4 6 41 5 1 3 5 11 12 32 7 2 15 15 4 3 2 14 9 13 29 5 2 1 2 2 3 21 23 7 3 9 3 6 5 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 2 2 3 2 2 2 3 4 3 5 3 3 3 6 14 16 8 18 69 26 5 5 4 1 0 2 2 1 1 1 2 1 0 1 2 1 0 2 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 85 85 p 1H J 13 \| 79 78 dq 1H J 10 20 \| 78 78 m 1H \| 74 73 m 3H \| 40 40 s 2H \| 29 29 t 2H J 53 \| 17 16 qt 2H J 53 71 \| 10 10 t 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)S(=O)(=O)c1ccccc1Nc1nc(Cl)nc(Cl)c1C=O	ir: 1 2 2 4 3 2 2 3 8 11 3 3 2 12 9 4 2 3 2 2 2 2 14 9 2 2 2 2 5 7 3 3 5 2 2 3 4 22 13 11 31 76 7 100 26 16 6 4 4 5 4 0 2 4 3 3 5 5 2 1 6 11 9 5 7 7 2 1 2 3 2 2 3 3 1 3 3 2 2 1 3 5 4 2 5 34 19 14 8 2 2 1 2 2 1 2 3 4 2 1 2 2 3 7 15 6 10 8 18 6 1 2 3 8 1 2 3 2 1 5 9 9 5 3 3 1 2 2 2 1 1 2 2 2 5 5 5 3 2 74 10 4 9 5 3 2 19 19 4 30 49 8 4 8 17 7 18 44 67 18 6 30 27 12 4 1 2 3 2 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 2 4 4 3 7 7 7 13 11 14 4 2 2 2 2 2 1 2 2 1 1 2 2 2 1 2 4 3 8 16 24 31 25 8 12 7 5 3 2 2 2 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 93 93 s 1H \| 79 78 dd 1H J 14 90 \| 77 76 td 1H J 14 77 \| 74 74 dd 1H J 14 79 \| 73 73 ddd 1H J 14 75 88 \| 35 34 dt 1H J 85 170 \| 13 13 d 7H J 86	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1c(N2CCOCC2)sc(C=O)c1-c1ccc(Cl)cc1Cl	ir: 12 8 8 10 10 14 8 9 8 8 8 8 8 7 7 10 12 7 8 8 10 7 9 8 7 7 9 8 25 46 18 14 7 11 9 9 7 8 8 8 23 15 12 8 9 20 8 8 8 10 9 6 9 37 8 81 22 10 8 7 8 9 8 8 14 12 34 33 12 10 10 23 37 36 13 8 8 6 8 8 7 15 10 9 8 8 7 13 15 7 8 10 16 16 10 11 10 11 16 19 22 25 39 10 7 9 8 25 10 9 9 9 12 10 8 8 7 10 13 15 6 8 8 9 7 8 9 8 9 8 7 9 12 8 7 7 7 7 13 9 7 9 14 10 8 9 10 21 18 11 10 13 20 8 7 7 7 36 11 8 10 23 8 6 7 7 7 6 7 7 7 6 7 8 7 6 7 9 7 5 7 11 0 72 6 4 8 8 7 6 7 7 7 6 7 7 7 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 7 8 9 9 8 8 7 8 8 8 8 10 30 10 38 100 52 11 9 9 8 9 7 7 7 7 7 7 7 7 7 7 7 7 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7; 1HNMR: 100 100 s 1H \| 76 75 d 1H J 19 \| 74 74 m 2H \| 38 37 m 4H \| 33 32 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C/C=C/C(=O)[C@H]1[C@H](C)C=CCC12CCCC2	ir: 1 0 0 0 0 0 0 2 1 2 3 5 1 0 0 0 0 2 3 5 2 6 4 2 1 1 1 5 25 6 3 7 34 21 68 4 2 4 10 5 4 4 7 4 8 13 3 2 1 1 0 2 2 1 1 1 2 1 1 1 6 1 1 2 1 2 2 2 3 2 0 4 1 3 4 6 2 1 1 4 11 10 39 49 1 8 3 3 7 2 1 3 2 1 1 1 0 1 4 1 6 3 5 4 5 8 10 6 9 24 8 25 9 8 9 8 3 7 11 9 16 15 9 13 11 19 3 3 7 9 5 9 10 9 14 5 3 9 19 22 4 13 21 38 16 13 6 2 3 2 2 1 2 0 1 5 2 1 0 1 2 1 3 15 4 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 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 1 1 1 1 1 1 1 5 4 3 2 3 5 8 5 7 10 4 8 8 12 25 57 67 100 18 7 3 4 2 3 3 2 1 1 1 1 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 0 0 0 0; 1HNMR: 68 67 dq 1H J 57 139 \| 61 60 dp 1H J 15 137 \| 57 57 dddq 1H J 10 19 69 89 \| 55 54 m 1H \| 25 24 m 1H \| 23 22 dt 1H J 17 92 \| 21 20 dt 2H J 10 48 \| 19 18 dd 3H J 16 58 \| 18 17 m 2H \| 18 16 m 4H \| 15 14 m 2H \| 10 10 dd 3H J 10 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)Nc1ccc2sc(C(=O)Nc3cc(Cl)cc(Nc4ccc(F)cc4F)c3)cc2c1	ir: 1 2 5 6 7 7 5 5 7 7 4 4 2 2 4 5 6 3 3 6 5 4 5 8 1 4 4 2 4 6 4 3 5 6 4 5 5 4 3 5 19 18 6 1 1 2 2 3 1 1 1 0 2 4 12 9 10 2 12 3 1 2 2 0 2 11 11 18 10 15 3 2 2 2 1 0 0 1 1 1 1 1 1 1 0 1 3 22 27 4 0 1 2 3 2 3 3 2 1 1 1 26 1 12 7 3 1 1 1 1 4 1 1 1 1 3 2 5 4 3 4 3 13 1 2 3 1 1 2 3 4 2 1 3 4 3 2 1 2 16 1 1 1 1 3 2 16 3 8 53 1 8 8 6 2 3 2 1 1 9 10 56 2 9 18 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 1 2 0 0 1 0 0 0 1 1 0 1 1 3 3 5 8 6 51 18 9 2 3 1 1 1 2 0 1 1 0 0 1 1 1 2 1 1 4 2 9 7 36 100 51 37 8 2 0 2 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 92 s 1H \| 81 81 m 2H \| 79 79 t 1H J 22 \| 76 76 d 1H J 16 \| 75 75 t 1H J 22 \| 74 74 dd 1H J 22 79 \| 73 73 m 2H \| 73 72 t 1H J 21 \| 72 72 dt 1H J 47 76 \| 71 70 td 1H J 27 121 \| 70 69 ddd 1H J 27 76 103 \| 30 29 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)N1CCC(Nc2ncc(O)cn2)CC1	ir: 17 9 6 9 6 7 17 7 5 14 16 16 29 31 16 21 11 8 6 4 7 6 4 4 3 3 11 11 3 4 3 3 5 2 12 42 49 51 21 8 5 2 2 4 3 2 3 3 4 2 2 3 2 2 3 5 3 4 4 4 3 2 4 5 3 1 3 3 4 4 3 4 2 3 3 3 2 2 3 2 2 3 3 2 17 23 53 28 11 2 5 11 34 16 3 6 21 2 3 3 2 2 4 5 6 4 9 6 17 6 12 10 2 3 4 3 2 6 12 12 22 10 13 13 16 12 6 11 19 19 19 5 4 5 5 4 10 5 7 9 27 40 5 3 3 3 6 32 47 11 18 16 15 10 3 3 2 1 3 75 1 5 2 0 1 3 2 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 2 3 2 4 3 4 5 2 3 3 5 2 2 3 3 3 5 11 14 9 3 2 2 1 2 3 6 6 15 100 44 25 5 4 3 2 2 3 2 2 2 5 6 8 11 9 25 33 20 14 4 3 3 2 2 3 3 3 2 2 2 2 1 2 2 2 1 2 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 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 83 83 s 1H \| 80 80 s 2H \| 59 59 d 1H J 71 \| 40 39 dp 1H J 52 71 \| 38 37 ddd 2H J 59 85 130 \| 34 33 ddd 2H J 59 86 128 \| 22 21 m 2H \| 19 18 m 2H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOc1nc(N)c2nc(OC)n(CC3CCCCO3)c2n1	ir: 3 5 6 4 3 4 4 6 9 8 8 6 4 7 3 10 4 3 3 2 4 3 4 9 4 11 7 2 7 7 7 6 6 12 11 7 4 5 10 13 7 5 25 13 9 9 7 5 7 6 9 9 7 6 4 2 8 20 6 5 3 3 2 11 5 3 3 7 5 15 8 5 8 9 5 8 12 14 10 7 3 5 6 5 2 3 2 4 7 2 2 3 9 7 4 2 4 2 4 3 3 9 7 14 12 18 7 13 19 25 47 60 47 38 24 30 19 31 38 20 37 27 11 11 6 7 8 4 7 4 5 3 3 8 7 16 14 2 2 2 1 3 3 5 8 50 6 4 3 1 2 2 3 7 1 1 1 1 1 3 1 7 7 11 4 4 1 1 1 5 24 3 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 1 1 0 1 0 0 1 0 0 0 1 0 0 1 1 0 1 0 0 1 1 0 1 1 1 1 1 1 0 1 1 1 1 0 1 0 0 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 2 2 8 7 7 10 21 21 21 24 15 29 2 18 11 26 68 64 21 11 16 33 10 4 1 4 3 2 1 2 3 2 1 2 6 27 34 6 3 2 3 2 9 100 18 3 3 1 1 1 1 0 1 2 2 1 1 2 1 1 3 2 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 0 0 0 0 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; 1HNMR: 70 70 s 2H \| 46 45 dd 1H J 54 173 \| 44 43 m 3H \| 41 41 tt 1H J 43 54 \| 40 39 s 2H \| 38 37 m 1H \| 37 36 m 1H \| 20 18 tt 3H J 69 82 \| 18 17 m 1H \| 17 16 m 4H \| 15 14 h 2H J 69 \| 10 9 t 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(CC)c1ccc(Br)c2nc(Oc3c(C)cc(Cl)cc3Cl)n(C)c12	ir: 1 3 4 5 1 3 4 2 1 7 4 5 26 10 7 3 4 3 5 3 1 3 5 4 3 11 7 7 4 9 7 4 3 5 4 3 3 4 3 1 2 5 4 2 5 4 5 3 3 5 13 40 31 18 18 4 3 6 4 0 4 7 3 12 35 5 15 28 10 9 14 34 10 7 3 8 6 5 2 2 20 6 3 2 7 4 2 2 12 10 1 2 4 3 1 4 9 32 18 3 7 6 5 15 3 34 5 7 8 3 2 5 5 8 5 6 7 5 13 9 27 13 5 7 11 8 5 9 22 22 5 10 6 6 23 73 100 3 3 3 8 5 53 6 6 2 19 4 6 1 1 4 4 2 5 16 3 0 2 37 5 1 2 4 2 0 2 4 2 0 2 4 2 1 2 4 3 0 2 4 2 1 3 4 2 1 3 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 4 2 1 2 4 2 0 2 4 2 0 2 3 2 0 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 3 5 4 6 3 5 5 3 4 6 6 4 6 6 7 23 44 66 29 27 28 19 6 7 5 5 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 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 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 76 75 d 1H J 92 \| 74 74 d 1H J 22 \| 72 71 dd 1H J 7 92 \| 71 71 d 1H J 26 \| 37 37 s 3H \| 30 29 m 1H \| 23 23 s 3H \| 18 17 dqd 2H J 61 69 130 \| 16 15 dqd 2H J 60 69 130 \| 9 8 td 6H J 15 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1nc(-c2ccc(C(F)(F)F)nc2)cc(C(F)(F)F)[nH]1	ir: 1 1 3 3 4 1 2 1 1 1 1 1 1 2 1 1 1 1 9 3 3 1 1 4 1 1 1 1 5 3 1 0 1 1 1 1 11 9 2 1 1 1 1 0 2 6 4 2 14 29 70 7 7 20 17 6 1 1 1 1 1 0 1 1 1 0 1 10 1 1 6 12 6 12 3 3 3 1 1 1 1 0 1 1 1 1 1 1 9 3 1 2 0 1 2 2 0 1 100 12 5 4 30 3 2 1 0 1 2 2 3 14 66 6 4 3 6 1 2 1 5 3 2 1 2 4 9 13 13 6 2 1 1 1 1 2 1 12 2 1 1 1 4 2 1 1 1 1 1 2 11 1 1 3 1 2 6 11 3 6 48 7 3 4 21 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 2 2 2 3 10 13 7 7 2 2 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 4 42 18 7 4 2 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 1 0 1 0 0 0 1 0 0; 1HNMR: 98 98 s 1H \| 90 89 d 1H J 20 \| 81 80 dd 1H J 20 101 \| 80 79 dq 1H J 21 103 \| 65 65 q 1H J 17	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCc1c(C)[nH]c(C(=O)OC(=O)c2ccccc2)c1C	ir: 2 9 6 11 4 19 14 8 5 10 9 22 100 17 13 7 3 8 14 11 8 6 6 7 15 7 12 19 54 7 28 4 3 11 9 3 3 9 9 6 11 69 16 13 4 13 9 6 38 36 10 0 4 9 5 0 5 9 5 2 6 9 7 14 8 11 6 6 13 24 6 5 7 11 4 5 7 7 17 6 7 7 2 1 8 7 2 3 6 6 3 3 8 7 8 6 11 18 3 7 18 11 4 6 18 31 4 7 9 7 4 13 19 8 6 6 9 6 8 34 84 24 12 57 31 15 6 9 17 7 2 9 13 9 36 7 7 6 11 17 10 13 16 44 73 31 58 23 12 34 6 21 43 4 5 7 6 1 4 8 9 3 4 7 4 1 4 7 4 0 4 7 4 1 4 7 3 1 4 7 3 1 4 6 3 1 4 6 3 1 5 6 3 2 5 6 2 2 5 5 2 2 5 5 2 2 5 5 2 3 6 4 1 3 6 4 1 3 6 4 1 3 6 4 1 4 7 4 1 4 7 3 1 4 6 3 1 4 6 3 1 4 6 3 2 5 6 3 2 5 6 2 2 5 5 2 2 5 5 2 2 5 5 2 2 5 5 2 3 7 8 3 5 8 9 2 6 8 5 2 6 10 10 18 20 35 11 57 27 10 7 6 7 8 5 4 5 6 4 2 5 5 3 3 6 10 4 3 5 6 8 15 8 9 17 18 8 7 4 4 6 4 3 3 5 4 2 3 5 4 2 3 5 4 2 3 6 4 2 3 6 4 2 4 6 4 2 4 6 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 5 5 3 3 5 5 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 4 6; 1HNMR: 89 88 s 1H \| 80 80 m 2H \| 77 76 m 1H \| 76 75 m 2H \| 37 36 s 3H \| 29 28 m 5H \| 24 23 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.
COCC(C)(C)C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C	ir: 6 14 9 13 7 6 10 6 9 8 24 10 5 7 12 12 10 9 8 6 7 10 6 6 4 6 7 3 3 6 6 3 5 8 7 3 3 6 5 4 5 7 7 3 4 8 5 2 4 7 5 2 4 7 6 2 6 13 15 3 7 10 8 4 7 8 6 27 23 12 4 2 6 7 4 3 5 6 4 6 6 6 3 3 6 6 3 3 6 6 3 3 7 6 3 6 8 8 5 8 14 11 7 5 7 8 10 12 9 5 2 5 7 5 2 5 9 13 17 11 17 11 5 11 8 8 5 7 14 13 39 100 26 6 4 7 7 4 3 6 7 3 3 7 6 2 3 7 6 0 25 46 7 4 4 6 5 3 4 6 5 2 4 6 4 2 4 6 4 2 4 7 4 2 4 6 4 2 4 6 4 2 5 6 4 2 5 6 3 2 5 6 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 2 3 6 5 2 3 6 5 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 5 6 4 2 5 6 3 2 5 6 3 3 5 5 3 3 5 5 3 3 5 5 3 3 6 5 3 3 6 5 3 4 7 10 7 7 7 7 3 5 9 5 4 7 9 12 23 22 18 10 4 5 7 4 2 4 6 4 3 5 6 4 3 5 6 4 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 4 5 4 3 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 3 4 5 4 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 4 3 4 5 4 3 4 5 4 3 4 6 4 2 4 6; 1HNMR: 43 42 tdd 1H J 31 49 68 \| 40 40 dd 1H J 31 104 \| 39 38 dd 1H J 49 105 \| 34 34 d 1H J 110 \| 33 32 d 1H J 110 \| 32 32 s 3H \| 19 19 dd 1H J 68 127 \| 17 16 dd 1H J 69 127 \| 16 16 s 3H \| 15 14 d 11H J 123 \| 10 10 s 3H \| 9 9 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)CCc2ccc(Cl)cn2)C1=O	ir: 4 9 13 12 4 4 3 4 2 3 5 2 1 3 3 2 2 3 4 3 3 6 9 4 2 2 12 8 3 7 6 3 3 13 10 25 14 5 4 3 8 5 3 3 8 10 9 2 3 8 6 4 10 24 21 14 14 10 11 9 5 4 3 9 6 5 3 4 10 29 19 10 89 100 12 2 7 5 3 1 3 5 10 15 12 9 30 13 11 11 2 6 6 6 5 4 4 5 1 2 3 4 4 4 19 10 8 82 33 19 13 14 6 8 1 4 4 5 5 7 5 6 4 3 12 4 4 7 4 7 5 3 4 4 3 11 19 5 3 1 2 1 1 2 2 2 4 18 42 13 4 5 3 1 1 2 2 2 28 31 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 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 5 5 6 5 4 2 2 3 4 4 5 17 18 9 16 16 9 2 1 2 2 1 1 1 2 1 0 1 2 1 1 2 2 1 3 18 40 16 2 3 3 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 85 85 d 1H J 19 \| 75 75 dd 1H J 20 82 \| 72 71 dt 1H J 11 83 \| 47 46 d 1H J 100 \| 46 46 q 1H J 77 \| 42 41 dddd 1H J 18 36 54 101 \| 37 36 m 4H \| 37 35 m 5H \| 35 34 m 1H \| 34 32 m 2H \| 31 30 tt 2H J 9 103 \| 23 22 dddd 1H J 35 55 73 119 \| 18 17 ddt 1H J 54 71 117 \| 13 13 d 3H J 77	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCON=CNCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C	ir: 3 4 8 6 7 2 3 3 6 13 17 8 12 4 11 15 11 4 15 6 5 2 1 2 2 3 4 7 2 16 26 23 13 7 3 10 4 7 4 5 5 1 1 4 2 0 1 1 1 1 2 1 1 2 2 1 2 1 1 1 1 5 3 4 1 1 2 2 1 1 4 8 4 5 5 6 2 0 1 2 0 0 0 1 0 0 1 1 2 2 3 2 1 1 1 1 4 3 3 3 1 1 1 3 1 2 4 6 12 7 3 5 6 9 15 11 7 9 4 9 21 25 7 8 9 11 19 20 15 22 4 8 6 7 4 3 3 3 1 1 2 3 6 16 43 100 26 3 2 45 3 2 2 2 1 0 1 3 2 29 3 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 3 3 4 1 1 2 3 1 1 2 4 2 3 8 13 15 10 2 2 1 1 1 1 0 0 0 1 0 1 2 3 2 1 2 2 1 1 2 1 2 1 13 20 76 45 24 18 4 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 72 dt 1H J 9 75 \| 61 61 dt 1H J 44 73 \| 54 53 d 1H J 78 \| 42 42 dt 1H J 61 79 \| 42 41 q 2H J 60 \| 34 33 qd 2H J 9 46 \| 18 17 dtd 1H J 60 84 144 \| 17 15 m 3H \| 15 13 m 1H \| 14 14 s 18H \| 14 12 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCn1c(=O)c2[nH]c(C34C5C6C3C3C4C5C63C(=O)O)nc2n(CCC)c1=O	ir: 23 15 6 11 9 12 6 5 2 4 4 2 1 4 3 5 3 4 4 1 2 3 4 3 5 2 2 3 2 2 2 1 3 7 7 1 7 4 4 3 5 7 15 33 11 27 10 15 4 5 5 23 5 9 27 8 12 8 4 2 12 10 8 6 3 6 4 1 3 11 7 3 7 13 10 4 3 3 1 2 2 6 11 15 23 26 14 13 8 4 4 18 7 7 4 7 13 9 7 9 13 10 6 2 6 10 16 48 100 31 40 45 19 13 13 10 14 37 79 32 14 10 14 20 25 13 7 5 7 18 9 9 6 7 5 3 5 2 1 3 4 3 3 4 9 11 14 66 8 3 9 97 5 4 3 2 1 1 1 2 1 0 1 2 2 3 3 6 2 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 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 2 3 4 4 2 10 6 10 6 7 8 9 6 26 19 42 32 64 28 13 5 5 5 5 4 4 5 3 55 21 12 31 25 15 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 2 2 10 5 1 1 2 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 0 1 1 1 0 1 1; 1HNMR: 41 41 t 2H J 73 \| 39 39 t 2H J 70 \| 19 18 m 7H \| 18 18 d 1H J 75 \| 18 17 m 1H \| 17 16 m 2H \| 11 10 t 3H J 77 \| 10 9 t 3H J 79	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
[N-]=[N+]=N[C@@H]1CCC=CCC[C@H]1O	ir: 7 7 15 7 17 15 11 8 10 7 6 4 6 3 6 5 7 5 3 4 4 4 3 2 3 1 2 3 3 3 2 3 3 3 1 5 7 31 8 6 3 1 3 3 3 4 3 3 3 3 3 5 2 1 2 2 2 1 2 3 1 1 2 2 5 2 2 3 7 17 23 8 3 8 10 3 15 10 3 5 3 5 7 6 4 4 4 8 10 55 100 43 9 6 6 4 2 4 14 9 2 3 7 6 2 2 3 3 0 2 3 3 2 7 14 8 5 6 4 13 6 10 8 3 3 6 6 2 2 5 3 4 4 4 4 2 1 3 5 2 1 2 2 2 1 2 2 1 1 2 1 0 1 2 2 2 3 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 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 6 5 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 3 4 3 2 2 3 2 2 2 4 5 18 39 19 22 6 1 2 2 2 2 24 28 7 0 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 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 0 1 2 1 0 1 2 1 0; 1HNMR: 55 54 m 2H \| 34 33 m 1H \| 33 33 m 1H \| 33 32 d 1H J 44 \| 23 21 m 2H \| 21 19 m 3H \| 19 18 dtdd 1H J 9 60 85 126 \| 18 17 dtdd 1H J 9 81 91 114 \| 17 16 dtdd 1H J 9 60 84 126	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC=C(CCNc1cc(OC)nc2ccccc12)C(N)=O	ir: 10 19 17 9 3 16 10 17 20 42 15 8 5 7 10 7 14 20 17 22 12 11 8 4 2 14 12 12 7 7 4 5 3 3 2 1 2 4 5 1 2 7 13 57 18 10 11 16 19 22 5 4 3 4 4 5 5 4 2 2 3 4 8 22 16 9 12 11 9 10 11 8 13 2 10 6 6 2 2 3 4 2 3 3 2 5 4 5 5 3 2 2 3 3 4 2 2 2 2 2 2 2 3 4 5 3 3 5 5 4 5 6 4 6 13 6 7 5 9 18 15 26 7 5 3 5 3 2 2 3 5 2 2 4 5 4 14 5 6 6 15 5 6 7 61 27 11 5 6 33 8 4 2 6 6 1 24 61 12 2 12 61 43 23 6 55 2 6 3 0 2 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 2 2 2 2 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 2 2 2 1 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 3 4 3 3 3 3 3 4 3 5 3 6 16 12 18 40 28 14 4 4 2 3 2 2 2 3 3 3 2 2 3 5 4 31 6 5 10 11 13 11 27 30 18 10 4 18 100 36 10 4 2 3 3 2 2 2 2 2 1 1 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 2 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 81 80 m 1H \| 79 78 dd 1H J 16 74 \| 77 76 td 1H J 13 72 \| 74 73 ddd 1H J 13 68 88 \| 67 67 t 1H J 50 \| 65 65 s 2H \| 63 63 s 1H \| 62 62 tt 1H J 10 60 \| 40 39 s 2H \| 35 34 td 2H J 50 60 \| 26 26 tq 2H J 11 59 \| 22 21 m 2H \| 15 14 qtd 2H J 9 66 78 \| 9 9 t 3H J 79	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(Br)ccc1NC(=O)COCc1ccccc1	ir: 8 3 8 12 5 3 5 5 18 20 4 2 2 1 3 1 2 1 2 4 5 6 2 13 5 3 3 2 2 3 10 27 6 2 3 3 2 3 4 9 52 5 4 2 9 7 24 28 5 5 2 3 22 24 41 18 14 20 7 1 2 12 5 4 9 5 4 21 5 6 1 1 4 11 2 2 4 5 5 1 3 2 0 0 2 7 0 1 10 3 2 1 3 5 1 2 4 17 2 3 7 45 2 1 1 1 1 1 1 1 1 1 2 6 9 5 3 4 3 6 7 11 11 3 4 3 2 2 2 1 1 1 2 3 3 46 4 2 6 41 4 3 10 16 7 18 6 24 23 95 9 13 13 16 100 23 17 5 2 3 2 1 2 22 3 1 1 2 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 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 1 1 1 0 1 1 1 0 1 2 1 1 1 1 2 3 1 2 1 0 2 3 4 3 16 15 30 23 27 15 5 4 2 3 2 2 2 1 1 6 1 2 1 1 1 2 3 2 2 7 21 29 19 20 4 4 2 3 1 1 2 2 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 82 82 d 1H J 25 \| 81 80 d 1H J 83 \| 76 76 dd 1H J 25 83 \| 74 72 m 6H \| 46 45 d 2H J 9 \| 42 42 s 2H \| 39 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(Br)cc2c1c(Cl)cn2C(C)C	ir: 15 7 0 9 15 26 20 11 9 6 1 6 9 8 1 6 9 12 12 8 11 4 2 6 8 9 3 7 6 3 4 8 7 2 5 13 7 4 7 8 6 1 4 7 6 2 4 7 5 1 3 10 7 3 5 9 5 1 5 10 13 23 16 25 11 41 51 33 35 3 7 10 4 2 10 13 9 6 9 8 3 4 8 11 30 5 9 7 3 13 7 9 17 49 12 33 7 5 8 6 1 3 8 5 2 9 18 12 6 5 9 6 2 7 19 11 21 35 23 21 8 18 22 11 8 8 13 8 12 14 32 12 3 7 8 4 3 9 21 18 9 9 10 9 21 58 13 5 5 7 12 22 6 22 13 3 4 9 6 2 4 23 8 2 4 7 5 1 4 8 5 1 4 8 4 1 4 7 4 2 5 7 3 2 5 7 3 2 5 6 3 2 5 6 3 2 5 6 2 2 6 6 2 3 6 5 2 3 6 5 2 3 6 5 2 3 7 5 1 3 7 4 1 4 7 4 1 4 7 4 1 4 7 4 1 4 7 4 2 5 7 3 2 5 6 3 2 5 6 3 2 5 6 3 2 5 6 2 3 6 5 3 3 6 6 3 3 6 6 6 10 8 5 2 4 7 6 3 5 10 6 7 11 23 64 9 17 100 53 38 30 26 13 17 6 8 4 3 5 7 4 2 5 8 4 2 5 6 3 3 5 6 3 3 6 5 3 3 6 5 2 3 6 5 2 3 6 5 2 3 6 4 2 4 6 4 2 4 7 4 1 4 7 4 2 4 6 4 2 4 6 4 2 5 6 3 2 5 6 3 2 5 6 3 2 5 5 3 3 5 5 3 3 5 5 3 3 6 5 2 3 6 5 2 3 6 5 2 4 6 4 2 4 6 4 2 4 6 4 2; 1HNMR: 81 80 d 1H J 22 \| 76 75 d 1H J 22 \| 73 73 d 1H J 7 \| 46 45 pd 1H J 7 45 \| 39 39 s 2H \| 14 14 d 6H J 44	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@@H]1CCN(S(=O)(=O)c2c(Cl)ccc(N)c2O)C1	ir: 4 3 1 4 1 1 3 3 3 5 2 2 4 1 2 2 3 1 2 1 2 1 4 4 6 2 5 4 12 12 7 13 10 16 7 4 3 4 2 1 1 4 6 3 1 1 1 1 1 1 1 2 2 5 14 2 1 1 1 1 1 1 2 1 1 1 1 5 2 1 2 5 2 1 1 1 4 3 6 2 2 1 1 2 6 7 8 3 4 2 1 0 1 1 1 5 11 5 3 2 3 4 1 2 2 2 3 5 5 9 1 2 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 7 1 3 1 1 0 0 0 0 0 0 1 2 2 1 1 3 3 17 5 15 2 10 3 2 4 5 8 14 3 0 0 0 3 7 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 1 0 0 0 0 0 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 1 0 0 1 1 1 1 2 1 1 2 4 7 2 4 4 6 4 8 9 12 7 4 0 1 1 1 1 1 1 1 0 1 6 25 2 1 1 3 5 4 2 1 0 2 12 100 10 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 98 98 s 1H \| 73 73 d 1H J 73 \| 70 70 d 1H J 73 \| 52 51 s 2H \| 45 44 dtq 1H J 20 40 79 \| 44 43 d 1H J 75 \| 36 35 m 2H \| 35 34 m 3H \| 21 20 dddd 1H J 23 64 82 118 \| 19 18 dddd 1H J 40 62 80 119 \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1cc(N2CCNCC2)c2nccnc2c1	ir: 3 2 2 2 2 2 2 3 5 15 11 3 3 11 5 2 2 3 1 2 2 12 9 2 2 1 1 2 2 3 6 4 2 2 2 2 2 2 2 1 2 2 2 8 19 47 98 12 4 0 6 9 5 29 58 17 14 2 5 5 2 1 11 27 2 1 10 31 7 9 3 14 2 2 3 5 1 10 24 1 2 3 4 8 26 16 12 16 12 15 2 4 4 4 10 15 5 7 23 10 8 12 3 2 2 4 6 6 22 100 30 18 27 19 14 23 10 7 5 3 1 3 4 4 2 2 3 2 3 50 5 2 1 4 4 2 2 2 2 3 19 12 21 15 4 3 13 10 4 2 2 1 2 2 2 5 4 3 2 1 19 13 4 1 2 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 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 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 4 3 8 6 68 17 7 5 3 2 2 2 2 2 1 2 2 2 3 12 13 3 3 52 69 16 5 1 2 3 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 93 93 d 1H J 35 \| 85 85 d 1H J 35 \| 78 78 dd 1H J 12 85 \| 77 76 m 1H \| 71 71 dd 1H J 11 86 \| 34 33 m 4H \| 30 30 m 4H \| 20 19 p 1H J 33	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1(c2ccc(-c3ccc(-c4sc(Cl)cc4C(N)=O)cc3OC)cc2)CC1	ir: 8 3 5 3 1 5 5 4 3 6 7 14 15 3 4 2 2 2 2 3 1 3 10 7 8 5 4 2 1 3 2 4 16 3 2 2 4 2 4 3 7 5 6 14 9 13 6 3 2 6 10 10 11 8 6 9 10 1 2 3 4 19 6 0 3 4 3 2 3 2 3 13 9 18 6 13 3 2 2 1 4 3 1 1 3 2 2 2 65 42 3 2 2 2 4 15 6 2 2 3 3 2 1 2 2 2 2 2 2 5 14 13 11 14 6 10 24 19 7 5 5 5 7 8 4 6 6 8 5 5 2 2 3 2 1 2 9 2 2 2 3 2 8 29 7 2 1 16 5 4 5 12 5 5 15 26 15 3 5 6 7 1 3 2 2 1 1 5 1 1 1 2 1 1 1 3 1 1 1 5 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 3 1 2 7 6 4 3 3 2 2 4 2 5 3 3 16 11 9 39 16 43 100 15 18 8 19 5 11 3 2 2 2 2 2 2 2 2 3 4 16 1 1 2 2 1 1 2 2 0 0 6 74 6 4 0 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 77 d 1H J 79 \| 75 75 dd 1H J 17 80 \| 75 74 m 2H \| 74 74 m 3H \| 73 73 d 1H J 17 \| 67 67 s 2H \| 43 42 q 2H J 60 \| 39 38 s 2H \| 17 16 m 2H \| 14 13 m 2H \| 12 12 t 3H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(O)c2c(n1)c(C)nn2C	ir: 1 2 9 14 4 2 1 3 2 2 2 4 3 4 3 5 4 2 3 5 9 8 6 2 2 1 1 2 2 1 2 3 4 9 9 17 34 17 14 5 3 2 2 2 2 1 1 2 2 1 1 2 1 2 2 2 2 1 2 2 2 2 2 2 2 3 3 3 3 3 4 3 3 4 6 11 8 18 6 3 2 2 2 2 1 1 1 2 2 2 2 2 1 1 2 1 1 1 2 2 3 4 2 1 1 1 2 1 2 2 2 4 1 2 2 4 4 2 2 3 1 2 2 2 2 2 2 2 2 2 10 5 2 1 2 13 11 3 8 6 3 1 2 5 60 100 4 1 1 1 1 2 7 2 15 11 0 3 2 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 1 2 2 1 2 2 2 2 2 2 3 2 2 2 2 1 2 2 1 1 2 3 11 20 23 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 40 40 s 3H \| 26 26 s 3H \| 25 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Brc1cc(Br)cc(CNC2CC2)c1	ir: 2 1 1 1 2 1 1 2 2 2 1 1 2 1 3 2 2 1 1 1 2 1 2 3 2 1 2 2 3 7 15 8 5 5 8 19 34 0 3 15 38 18 17 32 46 6 5 7 7 4 6 3 2 1 2 4 23 13 6 7 3 2 4 4 9 41 23 7 9 12 5 3 4 1 2 2 1 1 2 2 1 1 2 2 2 1 12 8 12 5 9 8 3 12 13 7 3 5 15 11 4 2 4 3 1 1 2 2 1 3 4 3 10 26 48 12 4 5 8 4 6 9 20 9 38 46 6 2 2 9 10 9 3 3 4 1 1 2 2 1 1 2 2 1 1 2 3 2 5 4 11 9 5 5 3 1 6 4 5 1 5 7 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 1 1 2 1 1 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 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 3 3 8 7 7 6 12 18 100 22 12 10 10 5 4 2 1 2 2 2 2 2 3 3 1 4 17 36 71 11 1 3 3 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0; 1HNMR: 75 75 t 1H J 22 \| 74 74 dt 2H J 9 20 \| 39 38 m 2H \| 39 38 s 1H \| 26 25 dp 1H J 43 59 \| 8 7 m 2H \| 6 5 m 2H	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](c2ccc(NC(=O)C(=O)NN)cc2)CC1	ir: 4 3 1 1 2 2 1 4 3 4 4 2 4 5 6 6 2 2 0 1 1 1 3 1 1 0 1 1 3 0 2 3 2 2 3 11 26 16 47 18 6 6 2 2 4 4 3 2 3 11 4 3 3 3 10 17 5 9 3 7 6 29 14 21 7 4 8 3 6 4 5 4 2 2 10 1 1 2 1 1 1 1 1 2 4 1 1 6 9 7 7 10 2 2 1 1 4 3 11 2 2 2 2 3 18 3 5 7 5 4 7 4 8 4 5 2 1 3 1 2 3 2 1 1 2 1 3 2 2 1 0 4 5 13 44 47 5 9 8 0 1 4 7 9 25 6 3 0 1 14 53 5 15 3 15 3 1 0 2 1 1 1 1 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 1 1 1 1 1 1 2 1 0 2 1 1 1 1 2 2 4 3 5 9 22 6 2 2 2 3 1 1 1 2 1 1 1 2 4 20 4 3 2 3 3 7 30 100 64 60 9 4 4 1 1 1 1 1 1 1 1 0 0 1 1 2 2 1 1 1 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 s 1H \| 85 84 t 1H J 42 \| 76 76 m 2H \| 72 71 m 2H \| 50 49 d 2H J 42 \| 37 36 s 2H \| 26 25 m 1H \| 24 23 tt 1H J 47 74 \| 20 18 m 5H \| 18 17 m 2H \| 16 15 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Nc1cn2cc(S(=O)(=O)c3ccccc3)ccc2n1	ir: 3 4 2 2 5 3 3 4 2 4 18 8 6 4 3 1 3 3 10 9 3 2 1 1 1 1 2 4 10 7 47 7 2 3 2 1 1 11 3 2 15 3 2 4 8 10 2 3 2 2 1 1 1 2 1 0 1 2 4 0 16 4 17 12 10 5 3 24 18 4 2 1 1 2 2 1 2 3 3 1 2 3 1 1 30 20 100 5 0 0 2 3 1 1 1 2 1 2 9 3 2 9 1 5 1 2 1 2 16 3 1 1 1 1 1 1 2 2 2 2 4 14 6 2 1 7 4 3 2 1 1 1 1 2 7 2 1 2 2 4 1 1 6 2 3 6 3 1 2 29 7 4 2 7 2 2 2 3 7 12 2 1 2 2 1 0 1 3 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 2 5 35 30 28 19 22 5 2 2 1 2 2 2 1 1 2 2 1 1 2 1 2 3 2 4 19 6 3 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; 1HNMR: 95 95 d 1H J 12 \| 94 94 s 1H \| 81 81 dd 1H J 13 91 \| 80 79 dq 2H J 16 86 \| 79 78 m 2H \| 77 77 m 3H \| 36 36 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)C12CCC(C(=O)OC)(CC1)CC2	ir: 7 1 1 1 0 1 3 5 5 4 10 2 1 1 1 1 1 1 1 1 1 3 12 10 3 3 2 0 1 2 2 1 5 20 22 40 7 1 1 2 1 1 2 5 17 6 2 1 1 2 1 1 1 1 3 2 1 1 1 1 1 1 1 1 1 2 3 1 1 1 1 1 1 1 8 3 2 1 2 7 2 1 1 1 2 2 6 3 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 2 6 4 6 22 14 3 3 1 0 2 3 3 7 6 17 6 4 8 17 5 3 4 3 1 1 1 2 1 4 15 6 2 1 2 3 5 7 18 85 100 25 50 6 4 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 2 3 2 1 2 2 6 14 7 4 3 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 2 9 30 17 16 16 25 12 6 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 61 60 q 1H J 52 \| 37 36 s 2H \| 27 27 d 3H J 53 \| 20 17 m 13H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C/C(=C\C(=O)O)C[C@@H]1OC[C@H](CC2=C([C@@H](C)[C@H](C)O)O2)[C@@H](O)[C@H]1O	ir: 35 11 20 26 9 9 22 10 11 25 5 13 13 14 11 5 4 2 6 6 11 20 43 45 36 11 6 3 3 14 7 11 3 3 4 2 2 2 2 2 3 7 3 4 2 5 3 3 3 3 3 1 3 3 4 2 5 4 4 3 5 4 2 4 2 7 5 7 4 4 5 11 7 5 4 6 22 38 40 43 26 18 4 7 7 29 42 54 100 39 25 19 5 2 3 4 5 3 4 3 5 3 7 2 6 10 15 7 3 4 2 4 7 3 3 4 5 3 5 6 7 6 6 5 3 2 3 2 4 3 3 3 2 1 1 2 1 1 1 1 1 0 1 1 2 9 6 3 1 0 0 1 1 1 0 1 2 16 2 1 1 0 1 1 1 0 1 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 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 2 1 3 2 2 2 3 2 5 4 2 6 5 3 5 9 9 10 9 12 2 3 1 2 2 5 24 26 70 22 3 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 96 95 s 1H \| 57 57 h 1H J 14 \| 42 42 d 1H J 66 \| 41 40 ddqd 1H J 15 58 73 87 \| 40 39 m 3H \| 37 36 m 1H \| 36 35 m 1H \| 35 34 d 1H J 60 \| 29 29 d 1H J 57 \| 29 27 m 2H \| 26 25 m 3H \| 24 23 ddd 1H J 13 63 154 \| 20 20 d 3H J 15 \| 13 12 dd 3H J 15 72 \| 11 10 dd 3H J 15 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(OCc2ccccn2)cn1	ir: 1 2 4 2 6 3 3 3 2 2 2 2 1 2 2 1 1 2 3 1 2 2 6 4 2 3 3 5 4 3 4 5 4 6 6 4 6 8 10 13 41 18 15 6 16 10 5 1 3 4 2 0 2 3 8 4 4 4 3 1 1 3 1 2 3 2 2 0 9 8 12 2 2 2 1 2 2 3 3 2 3 3 2 1 2 2 1 2 3 12 4 2 5 2 0 1 4 8 1 2 4 2 1 2 2 2 2 2 2 1 1 1 2 1 1 4 2 1 1 2 2 2 2 3 8 2 2 2 2 3 9 25 3 5 8 9 24 41 32 100 9 3 3 13 8 2 3 4 6 10 37 8 16 8 6 5 10 9 4 3 2 3 4 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 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 0 1 2 1 1 1 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 2 0 2 2 1 1 2 5 4 3 6 14 16 17 17 10 5 3 2 2 2 1 2 2 2 1 2 2 2 1 1 3 2 4 8 11 12 26 37 6 5 3 2 2 2 1 1 2 1 2 2 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 96 96 s 1H \| 86 86 dd 1H J 17 42 \| 83 83 d 1H J 19 \| 80 79 m 2H \| 79 78 td 1H J 17 74 \| 76 75 m 2H \| 74 73 m 2H \| 73 72 m 2H \| 53 53 d 2H J 10 \| 31 30 dp 1H J 47 73 \| 24 23 d 3H J 11 \| 10 9 m 2H \| 7 6 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(OCC2CCCN2)nc1	ir: 3 13 29 10 6 3 2 5 3 1 2 2 3 3 2 2 3 3 2 3 2 1 1 3 4 2 1 2 2 4 3 2 2 2 24 34 15 2 3 2 2 2 3 3 3 1 4 3 3 3 9 8 6 37 29 2 5 4 4 4 3 3 8 7 4 7 9 19 21 24 44 21 2 1 7 8 5 2 4 6 4 2 2 2 1 1 2 2 3 4 9 3 1 1 2 2 1 1 3 3 7 8 5 3 9 15 14 14 6 7 4 6 11 7 7 12 17 6 7 3 4 3 7 25 10 4 3 2 2 2 4 2 1 4 3 1 0 93 100 3 2 2 2 1 2 6 3 1 3 55 42 2 3 4 3 2 2 2 2 1 3 37 38 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 3 2 2 2 4 2 2 6 6 1 9 12 10 3 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 2 10 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 88 d 1H J 19 \| 81 81 dd 1H J 19 83 \| 71 70 d 1H J 82 \| 43 42 dd 1H J 39 133 \| 40 39 dd 1H J 38 134 \| 39 39 s 2H \| 35 34 dp 1H J 38 60 \| 33 33 dt 1H J 24 59 \| 30 29 dddd 1H J 15 28 49 132 \| 29 28 m 1H \| 20 19 m 1H \| 19 17 m 1H \| 17 16 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCn1nc2c(c1-c1ccc(Cl)cc1)CCNCC2	ir: 3 2 1 2 2 4 7 9 3 5 3 8 18 24 0 2 2 4 2 2 3 3 3 4 5 14 4 2 5 2 6 1 2 5 8 26 21 11 5 4 23 4 3 9 43 6 4 12 5 4 4 1 13 1 4 14 96 3 2 1 3 4 3 41 15 4 7 5 7 4 3 2 0 1 2 4 1 2 6 2 2 2 2 1 2 12 12 19 5 4 6 11 20 13 9 5 1 2 2 1 3 3 2 1 1 1 2 2 1 1 2 3 4 18 12 8 9 31 51 8 9 6 6 10 8 4 2 3 2 12 12 5 2 5 7 4 3 9 5 3 2 2 4 24 11 3 4 5 11 41 8 8 5 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 2 2 1 2 3 5 17 6 21 28 55 19 0 3 4 3 3 4 2 2 1 2 1 1 2 3 5 4 9 21 100 11 1 3 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 75 74 m 2H \| 74 74 m 2H \| 46 45 tt 1H J 46 55 \| 43 43 t 2H J 37 \| 31 30 m 4H \| 30 29 m 2H \| 29 29 t 2H J 37 \| 28 27 t 2H J 53 \| 23 23 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c([C@@H](O)CN2CCC(NC(=O)c3ccc(-n4cnnn4)nn3)CC2)ccc2c1COC2=O	ir: 5 7 15 11 17 27 22 19 19 34 23 18 10 13 26 33 7 13 15 5 10 11 8 13 8 18 40 13 14 7 8 19 42 70 62 29 7 8 10 14 24 10 74 29 30 20 10 0 3 10 6 1 14 11 13 18 16 7 7 3 9 13 7 2 4 10 8 19 23 22 20 5 4 7 7 4 11 11 5 9 10 32 16 44 13 36 19 20 34 22 10 7 15 31 11 6 13 7 2 10 19 7 3 7 8 8 2 4 25 8 4 35 8 22 12 13 25 41 24 9 8 12 7 9 22 6 11 13 15 9 11 7 18 21 4 5 5 4 3 6 11 16 9 13 51 46 48 19 11 5 6 11 19 12 12 8 5 1 2 9 37 7 5 6 4 0 3 5 3 0 3 5 3 0 3 5 3 1 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 4 4 2 1 4 4 2 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 3 2 3 5 2 1 4 5 2 1 3 4 2 1 4 4 2 2 4 4 1 2 4 4 2 2 4 3 1 2 5 4 2 3 5 5 3 5 8 6 2 4 7 5 6 31 14 19 39 35 18 8 4 8 9 44 28 27 10 6 3 4 5 4 4 6 6 5 7 7 17 17 22 100 22 9 5 4 4 2 2 4 3 2 2 3 3 2 2 4 3 2 2 4 3 1 3 4 3 2 3 4 3 1 3 4 3 2 3 4 3 2 3 4 3 1 3 4 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 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 3 4; 1HNMR: 93 93 s 1H \| 90 89 m 2H \| 78 78 d 1H J 90 \| 74 74 d 1H J 88 \| 72 71 m 1H \| 53 53 s 2H \| 49 48 dtd 1H J 7 50 57 \| 39 38 m 2H \| 32 31 dd 1H J 50 120 \| 30 29 m 3H \| 28 27 ddd 2H J 55 82 126 \| 24 24 s 2H \| 20 19 dddd 2H J 45 55 82 127 \| 18 17 dddd 2H J 44 55 81 128	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C(=O)Nc1cccc(OCCCC(=O)O)c1)c1ccc2nc(Nc3ccccc3)oc2c1	ir: 1 2 2 2 1 7 4 3 5 8 4 2 2 2 0 3 4 3 5 9 14 29 37 54 43 5 4 4 4 7 3 4 2 3 3 7 6 6 5 7 6 42 14 6 4 6 7 54 8 2 2 2 1 2 4 12 2 3 1 1 2 1 1 1 1 2 4 11 16 14 4 4 4 3 2 0 6 3 20 15 5 6 2 1 0 1 2 4 14 3 2 7 7 2 3 3 4 3 1 1 2 2 3 6 11 15 0 2 4 2 2 2 5 5 3 4 3 2 3 3 2 6 2 3 1 2 3 2 4 2 2 4 1 3 3 57 4 2 2 5 86 7 9 17 14 21 21 13 100 11 4 7 6 7 65 3 11 7 2 1 2 4 18 12 2 1 1 1 1 0 0 1 0 1 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 1 1 0 1 0 1 0 1 0 0 1 1 0 0 0 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 2 1 1 1 2 2 4 3 3 3 5 7 30 28 29 7 6 3 4 3 4 5 69 76 12 6 3 2 2 3 1 1 1 6 2 3 12 59 31 22 11 6 2 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 1 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 1 0 0 0 1; 1HNMR: 91 91 s 1H \| 83 82 s 1H \| 75 75 m 4H \| 75 74 m 1H \| 74 73 m 4H \| 73 72 t 1H J 78 \| 69 68 m 2H \| 41 40 t 2H J 61 \| 39 39 m 1H \| 26 25 t 2H J 93 \| 22 21 tt 2H J 61 92 \| 15 14 d 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COP(=O)(CC(=O)c1cc(Cl)ccc1C(F)(F)F)OC	ir: 7 3 5 4 17 5 6 1 4 8 2 1 1 1 5 2 2 2 3 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 0 1 5 3 3 7 3 4 17 4 1 2 2 11 4 2 3 3 4 19 11 4 2 2 1 1 0 1 2 1 1 9 100 12 33 17 1 5 10 22 6 5 3 18 2 10 50 27 6 1 1 5 2 1 2 3 2 2 3 2 3 2 3 7 32 10 1 2 3 3 3 56 7 4 1 2 3 4 4 4 11 18 20 18 11 7 10 11 5 5 13 25 5 1 3 1 1 1 1 1 2 7 17 9 12 15 9 4 2 6 2 1 1 1 6 4 1 1 2 2 1 1 1 1 1 1 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 1 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 2 3 7 3 3 0 2 2 2 1 3 3 16 17 12 18 20 5 2 0 1 1 1 0 1 1 1 0 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 0 0 0 0 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 d 1H J 24 \| 76 76 dq 1H J 25 75 \| 75 74 dd 1H J 24 75 \| 40 39 d 2H J 119 \| 38 38 d 6H J 108	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](O)c1cccc2ccccc12	ir: 0 0 0 1 0 1 1 0 1 1 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 41 40 0 1 3 1 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 1 1 1 1 2 1 1 1 0 1 1 2 0 0 2 1 1 1 2 9 32 19 0 1 10 2 1 1 1 0 0 0 1 0 0 1 3 1 1 1 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 1 3 1 1 2 1 0 0 0 0 0 0 0 0 2 7 0 1 3 3 2 1 0 0 0 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 0 1 0 0 0 0 0 0 0 0 1 0 2 1 1 4 19 12 4 2 1 1 1 3 100 31 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 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; 1HNMR: 81 80 m 1H \| 78 78 m 2H \| 76 75 ddd 1H J 14 71 82 \| 75 75 ddd 1H J 13 71 82 \| 74 74 t 1H J 80 \| 73 73 dq 1H J 8 81 \| 52 51 m 1H \| 37 37 d 1H J 51 \| 16 15 d 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2c(c1)C(=O)N(c1cc([N+](=O)[O-])ccc1C)C2=O	ir: 3 4 7 4 3 23 15 5 7 5 11 4 1 6 5 3 8 9 5 14 9 24 18 9 4 8 6 3 4 4 5 1 3 8 5 2 11 25 12 3 4 4 10 4 8 52 36 3 6 9 8 0 4 39 20 12 5 6 5 2 4 6 9 5 4 6 4 49 25 13 5 9 14 14 2 0 5 8 32 3 5 5 1 2 4 5 2 2 7 4 1 3 9 19 21 13 6 6 3 9 23 9 4 4 5 3 2 2 5 4 2 5 6 9 11 6 6 3 4 9 3 9 6 17 14 5 7 19 16 16 8 6 7 39 83 37 6 2 1 5 4 2 8 8 23 6 4 4 11 13 24 8 36 28 88 21 5 4 5 12 5 6 5 7 3 2 3 4 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 2 1 3 4 3 2 3 4 2 2 3 4 2 2 3 3 2 2 4 4 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 5 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 3 3 2 2 5 5 3 3 4 4 4 4 6 6 4 6 7 8 9 16 16 74 100 53 19 11 11 8 8 5 4 4 4 4 2 4 5 3 2 3 4 2 2 3 4 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 1 3 4 3 1 3 4; 1HNMR: 83 83 d 1H J 22 \| 80 79 m 2H \| 79 79 m 1H \| 76 75 dq 1H J 10 76 \| 74 74 ddd 1H J 10 24 82 \| 25 24 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(Cc1cn(S(=O)(=O)c2cccnc2)c2cc(CO)ccc12)C(=O)OC(C)(C)C	ir: 5 3 6 7 11 12 9 8 6 10 11 26 9 7 4 6 8 4 5 7 3 1 8 5 3 1 4 3 5 4 5 4 8 52 54 20 2 10 6 4 3 2 1 2 1 1 1 3 2 10 6 5 4 39 7 6 2 1 2 2 2 3 14 10 12 14 17 17 8 13 8 5 4 3 4 15 6 6 4 3 9 9 7 9 15 45 86 16 9 7 8 8 4 1 4 3 1 3 24 42 6 5 5 4 2 2 7 13 4 3 3 2 3 22 3 4 2 4 6 7 16 13 29 28 11 8 10 8 9 17 10 11 4 4 5 3 2 2 4 3 2 1 2 1 1 2 8 2 2 3 50 39 12 32 6 4 7 10 14 3 1 2 1 3 2 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 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 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 2 1 1 2 5 2 2 2 2 2 2 6 6 4 3 5 11 13 6 15 26 29 8 16 9 8 4 7 100 67 3 2 2 2 1 2 2 1 1 1 2 1 1 1 2 2 2 3 3 2 1 1 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 89 89 t 1H J 17 \| 87 87 ddd 1H J 14 21 37 \| 82 82 dt 1H J 19 73 \| 78 78 t 1H J 9 \| 77 77 d 1H J 82 \| 77 76 dq 1H J 7 22 \| 76 75 dd 1H J 40 75 \| 72 72 ddt 1H J 9 20 81 \| 47 47 dt 2H J 9 57 \| 46 46 d 2H J 9 \| 30 30 s 3H \| 25 25 t 1H J 56 \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]([C@H](O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1	ir: 3 8 4 4 4 5 22 11 12 5 3 2 5 8 5 4 4 3 2 2 1 2 7 5 4 7 8 9 5 15 15 53 32 16 4 8 7 7 18 22 47 48 9 9 12 9 6 4 3 3 4 3 2 8 4 1 4 2 6 2 2 1 2 5 2 5 8 10 25 25 6 3 3 11 11 4 6 16 14 7 8 6 6 13 14 91 86 40 30 57 69 27 12 6 4 4 8 17 15 11 7 6 4 5 2 2 1 2 2 1 1 1 2 4 2 3 4 4 5 5 9 6 1 3 6 4 5 7 5 4 4 10 9 14 22 73 24 9 4 2 8 9 21 82 35 9 15 9 5 2 1 9 18 2 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 1 0 0 0 0 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 1 0 1 1 1 1 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 1 1 2 3 2 1 3 2 2 3 5 5 19 24 47 81 100 97 7 10 7 7 3 6 28 17 4 2 1 1 0 1 1 0 0 1 1 0 0 1 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; 1HNMR: 74 72 m 8H \| 73 73 s 7H \| 47 46 tt 1H J 16 60 \| 39 39 d 1H J 60 \| 38 37 d 2H J 124 \| 36 36 d 2H J 124 \| 33 32 p 1H J 67 \| 11 11 dd 3H J 15 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccccc1)N1CCC[C@H]1CF	ir: 2 5 9 3 2 4 10 15 5 5 5 2 1 3 5 2 2 3 4 2 2 3 6 3 3 4 6 8 5 9 8 11 13 37 71 55 34 28 18 10 10 16 23 30 6 6 3 1 4 5 4 2 7 8 4 1 5 6 7 10 4 5 4 10 12 4 7 23 21 27 5 0 5 4 4 3 6 5 3 4 5 5 4 5 4 4 2 2 4 4 3 5 4 5 3 5 6 4 1 2 5 4 3 6 7 9 9 6 16 15 21 22 22 5 3 3 11 8 10 12 6 9 9 6 12 15 7 13 72 62 13 26 76 38 51 55 8 3 2 6 5 7 15 38 10 17 38 96 30 18 7 8 9 4 3 5 3 1 2 9 13 2 2 4 3 1 2 4 3 1 2 5 2 1 3 5 2 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 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 3 3 2 2 3 3 1 2 3 3 2 2 4 3 2 2 4 3 2 4 5 5 9 5 8 5 5 8 9 8 18 58 20 28 100 44 15 9 4 6 8 4 2 5 4 3 1 3 4 2 2 3 3 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 2 1 2 4 2 1 2 4 2 1 2 4 2 1 3 3 2 1 3 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 1 2 3 3 1 2 3 3 1 2 3 2 1 2 4; 1HNMR: 76 76 m 2H \| 75 74 m 3H \| 48 47 dd 0H J 38 91 \| 47 46 dd 0H J 38 92 \| 45 44 dd 0H J 37 91 \| 44 43 dd 0H J 39 92 \| 40 39 m 1H \| 37 36 dddd 1H J 17 31 49 119 \| 36 36 ddd 1H J 32 49 119 \| 21 20 dddd 1H J 25 41 81 161 \| 20 19 dddtd 1H J 15 29 49 78 110 \| 19 18 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1n(CC(F)(F)F)c2ccccc2n1C1CCNCC1	ir: 2 1 2 2 1 1 1 1 2 1 4 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 4 1 1 1 3 1 2 1 1 1 1 1 1 2 7 16 17 3 3 2 2 1 0 1 1 5 2 3 1 1 1 4 1 1 1 1 1 1 1 1 1 2 4 2 2 2 4 2 1 1 1 1 1 1 1 1 1 1 2 1 4 1 1 2 2 1 1 1 1 1 1 1 11 1 1 1 4 1 1 1 1 1 1 4 2 1 3 5 8 4 2 3 1 1 1 1 2 5 6 3 12 2 2 2 2 2 2 2 2 8 1 1 1 1 3 1 1 2 1 1 1 1 1 1 2 4 0 68 0 1 1 2 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 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 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 2 3 1 6 13 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 7 100 15 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 75 m 1H \| 74 73 m 1H \| 72 71 m 2H \| 47 46 q 2H J 128 \| 45 44 p 1H J 65 \| 34 33 p 1H J 43 \| 31 30 dddd 2H J 28 42 56 134 \| 29 28 dddd 2H J 29 42 55 134 \| 21 21 dddd 2H J 28 55 64 128 \| 19 18 dddd 2H J 29 56 66 130	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCc1cc(Br)c(OCc2cccc(O)c2)c(Br)c1	ir: 1 1 0 3 2 2 3 3 4 5 8 4 7 5 1 5 8 4 17 35 37 49 77 28 19 6 2 2 1 1 3 11 2 1 1 2 7 5 4 9 2 1 1 1 1 1 1 12 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 16 8 3 6 9 5 2 2 1 3 3 2 27 18 19 35 48 26 11 7 8 4 10 8 8 4 4 22 2 4 1 1 2 2 6 2 1 10 1 6 1 1 1 1 1 1 1 1 2 3 1 2 1 2 2 3 4 4 3 5 4 3 1 1 2 2 2 3 1 4 4 2 2 1 3 2 10 9 8 6 10 11 4 2 1 0 0 1 2 1 1 10 1 0 0 1 5 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 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 1 1 1 1 2 1 1 1 1 1 2 1 5 8 6 6 100 15 5 2 3 1 1 2 22 49 31 12 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 s 1H \| 73 73 t 2H J 9 \| 72 71 dd 1H J 76 85 \| 71 70 ddq 1H J 10 20 75 \| 68 67 td 1H J 11 21 \| 67 67 ddd 1H J 11 21 84 \| 51 51 t 2H J 9 \| 30 29 m 2H \| 27 26 t 2H J 86	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1nc(Cl)c2c(n1)N([C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)CC2	ir: 1 1 2 3 8 3 3 2 3 3 9 7 3 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 2 3 2 13 33 1 3 2 0 1 2 2 0 1 2 5 3 2 1 1 0 2 2 2 0 1 5 1 1 2 2 2 1 1 1 0 0 1 2 1 0 1 1 0 0 4 3 1 0 1 1 1 1 1 1 0 1 1 4 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 1 3 1 2 5 7 8 6 9 3 4 3 7 8 2 4 3 2 1 6 2 3 6 13 10 3 3 4 1 1 1 1 1 6 28 2 0 0 2 2 1 2 100 37 26 2 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 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 4 1 1 2 3 2 1 2 1 1 2 2 3 28 8 2 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 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 41 40 ddd 1H J 55 65 134 \| 40 39 m 2H \| 37 36 m 2H \| 35 35 ddd 1H J 38 56 124 \| 31 29 m 2H \| 26 25 s 3H \| 21 21 ddd 1H J 35 53 117 \| 19 19 ddd 1H J 36 55 119 \| 15 14 s 8H \| 14 14 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1ccc2ncccc2c1	ir: 2 2 1 3 1 1 0 1 1 1 0 1 8 5 7 3 5 2 1 5 17 7 7 2 2 1 1 6 2 2 4 2 6 1 3 1 1 0 10 8 4 21 3 2 2 1 15 1 5 5 3 3 3 2 18 24 3 100 1 3 10 1 5 3 1 0 2 10 6 9 16 3 2 1 2 1 4 5 3 3 1 1 1 1 3 2 4 4 1 1 9 4 4 5 1 1 7 17 8 3 2 7 8 7 2 3 1 1 1 3 13 4 1 1 1 1 1 3 2 4 4 5 13 11 25 4 3 27 2 1 2 1 4 2 2 1 4 9 21 20 76 24 29 23 3 2 3 1 14 7 13 8 28 33 51 13 15 61 6 1 1 2 1 0 1 3 2 10 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 3 3 2 4 12 12 14 36 8 42 31 9 7 3 1 2 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 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 89 89 dd 1H J 17 41 \| 84 83 dd 1H J 14 22 \| 83 82 dt 1H J 20 82 \| 81 81 d 1H J 82 \| 81 80 dd 1H J 15 82 \| 76 75 dd 1H J 41 83 \| 27 26 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1c(F)cc(-c2cc(C(F)(F)F)nn2-c2ccc(F)cc2)cc1F	ir: 2 2 3 2 3 1 0 1 2 5 4 1 4 7 2 7 5 2 4 4 9 4 2 1 6 4 1 2 1 1 3 1 2 2 1 2 1 8 3 2 1 1 1 4 1 0 1 5 4 1 4 3 3 2 32 94 5 5 5 2 2 3 2 4 4 3 10 29 21 17 8 13 21 7 12 2 1 1 2 4 8 4 4 2 3 2 7 10 1 1 3 4 2 1 2 3 1 3 85 11 5 7 0 1 2 1 2 2 7 1 2 2 2 3 7 14 6 2 6 1 2 4 13 8 5 1 2 1 1 2 2 2 17 3 3 2 7 2 1 1 1 1 6 1 1 1 1 1 4 17 2 2 10 7 20 17 4 1 1 1 1 1 1 0 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 2 1 2 3 15 5 9 37 100 18 13 8 2 0 2 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 76 76 m 2H \| 74 73 m 2H \| 73 72 q 1H J 17 \| 71 70 m 2H \| 25 25 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OCOP(=O)(C[C@H]1O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)OCOC(C)=O	ir: 3 2 1 1 2 1 1 1 1 3 1 2 3 2 3 3 3 1 3 10 12 1 1 1 1 1 1 1 1 2 1 1 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 2 1 0 1 1 1 0 1 1 1 1 6 2 1 1 2 7 2 4 5 7 7 13 14 14 8 7 3 5 2 2 4 12 34 1 1 1 1 1 1 0 1 0 0 0 1 0 0 0 1 2 1 5 12 8 3 3 4 3 3 1 1 1 2 2 2 2 2 1 7 5 3 5 4 10 6 16 11 5 6 4 3 4 1 1 3 1 1 1 1 0 0 1 1 1 2 3 100 3 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 3 2 2 1 2 2 3 3 4 4 15 6 4 3 1 1 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 0 0 0 0 0 0 0 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: 56 56 m 4H \| 52 52 ddt 1H J 26 64 77 \| 52 51 m 2H \| 44 43 tdt 1H J 26 70 84 \| 41 40 qdt 1H J 26 40 66 \| 24 23 ddd 1H J 83 119 130 \| 22 21 ddd 1H J 84 119 128 \| 21 21 s 5H \| 21 20 m 9H \| 13 13 d 3H J 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1nc(C(N)=O)cc1C	ir: 4 9 3 3 3 3 3 3 2 4 5 2 2 6 20 57 69 11 0 14 15 42 72 100 35 14 3 5 5 1 1 6 5 2 4 5 9 7 7 5 3 4 6 30 74 1 5 6 5 0 3 7 4 1 3 5 3 0 3 8 3 2 3 5 3 1 6 6 8 6 12 13 11 12 39 37 14 6 5 6 2 1 5 5 2 1 4 5 1 7 20 27 22 5 11 7 3 4 3 3 2 3 6 9 3 3 3 2 2 4 4 4 3 14 22 24 4 4 9 18 12 4 8 5 13 15 19 8 8 8 29 18 3 4 4 3 7 5 4 3 2 4 9 19 5 4 4 53 77 6 3 1 1 3 2 1 3 5 66 16 3 5 2 1 2 4 2 1 2 4 2 0 2 4 2 0 2 3 2 1 3 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 2 1 1 3 3 1 2 3 2 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 2 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 3 5 5 3 2 3 4 5 4 3 5 4 7 6 11 13 3 7 8 17 33 10 3 2 2 3 4 3 1 3 4 2 1 3 5 13 79 4 3 3 2 3 3 2 2 4 4 4 90 58 3 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 3 3 2 1 2 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; 1HNMR: 70 70 s 2H \| 62 62 s 1H \| 40 40 q 2H J 49 \| 23 22 s 3H \| 15 14 t 3H J 49	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1c2ccccc2C(=O)N1Cc1nnc[nH]c1=O	ir: 13 12 12 6 2 1 3 28 56 5 4 1 1 2 5 5 3 4 2 1 2 3 7 3 4 2 1 2 3 16 6 9 6 7 7 23 83 100 78 78 34 65 27 12 14 4 6 5 16 91 49 30 8 5 3 2 2 1 1 1 3 3 3 4 1 1 1 2 1 1 8 2 4 3 2 2 1 1 1 4 1 2 6 8 8 11 9 4 4 5 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 4 2 4 6 9 46 27 5 8 9 11 63 33 6 2 1 4 4 13 99 19 3 4 5 26 32 28 9 14 3 4 4 3 2 1 1 2 7 2 6 88 17 20 12 6 4 64 58 13 2 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 2 2 3 2 4 5 15 18 19 5 2 3 3 2 1 2 1 1 1 2 2 1 2 1 2 3 2 8 6 8 20 19 91 24 11 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 dd 3H J 31 50 \| 77 77 dd 2H J 31 50 \| 76 76 d 1H J 73 \| 57 56 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCCCCc1ccc(C(=O)O)cc1	ir: 2 4 2 2 4 2 1 1 5 6 6 7 26 21 4 3 5 14 9 24 46 100 83 17 4 10 26 42 19 13 12 6 7 2 4 1 0 8 2 1 2 4 2 0 1 2 2 1 1 2 1 2 2 5 3 0 8 7 3 2 2 2 1 0 1 2 1 0 2 5 2 1 3 6 10 11 6 15 74 39 2 3 4 3 2 3 3 6 7 1 4 3 1 2 3 2 2 4 4 9 2 1 1 1 1 1 2 1 1 2 2 3 4 7 12 22 24 5 4 7 4 10 5 5 7 12 6 3 6 6 6 6 4 2 2 2 1 2 3 3 4 8 31 23 17 23 16 6 8 21 21 20 13 1 1 2 1 0 0 1 1 0 3 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 2 2 2 2 1 2 3 1 0 1 2 3 12 12 9 10 26 11 5 4 1 2 1 2 2 5 22 1 1 1 1 1 0 1 1 1 0 2 4 8 16 10 6 3 1 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 80 80 m 2H \| 72 72 dt 2H J 9 82 \| 47 47 t 1H J 49 \| 31 31 q 2H J 53 \| 26 26 tt 2H J 9 77 \| 16 15 m 5H \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N1CCC2(CC1)Cc1ccc([N+](=O)[O-])cc1C2=O	ir: 1 3 3 8 2 2 4 2 2 4 2 17 4 22 10 11 6 7 2 2 2 8 5 5 4 6 6 1 3 6 2 2 1 3 5 16 7 4 4 2 1 2 2 1 1 2 2 2 2 2 2 2 7 3 4 4 3 28 7 6 2 2 1 2 2 2 2 11 9 6 4 2 2 2 1 1 2 2 2 1 4 2 2 6 6 3 4 1 2 4 6 2 3 16 3 2 2 5 1 1 2 2 4 4 2 2 1 3 3 3 8 4 5 2 2 4 7 13 12 7 7 9 8 7 11 11 8 5 6 2 2 2 6 4 2 9 10 8 1 2 3 2 2 2 3 4 3 100 15 2 3 41 5 3 1 2 2 1 2 1 14 0 2 3 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 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 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 3 1 2 2 3 8 2 4 3 2 2 6 6 6 18 17 36 12 25 3 3 2 3 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 86 85 d 1H J 21 \| 82 81 dd 1H J 21 76 \| 75 74 dt 1H J 9 76 \| 38 37 ddd 2H J 37 64 126 \| 34 34 ddd 2H J 35 62 126 \| 28 27 d 2H J 9 \| 24 23 ddd 2H J 36 63 130 \| 21 21 s 2H \| 21 20 ddd 2H J 36 63 130	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(C(=O)NN=C(C)c2nn(C)c(-c3ccc(C(C)(C)C)cc3)c2O)cc1O	ir: 2 7 9 3 6 8 8 17 7 5 11 6 2 15 11 10 11 8 12 17 22 21 28 8 11 8 8 3 2 4 2 1 3 4 7 35 16 7 1 5 4 17 19 7 17 3 2 0 1 2 1 0 2 7 16 14 5 2 1 2 2 3 4 1 2 1 4 5 3 1 4 2 1 2 8 3 1 1 2 2 5 3 6 3 3 9 11 23 7 4 2 2 4 5 19 9 20 13 8 4 5 3 2 3 8 11 17 14 4 3 2 1 4 27 7 8 4 6 6 10 6 2 2 2 2 1 2 3 2 5 6 4 7 4 1 1 0 1 6 1 1 5 3 4 3 14 33 32 12 21 13 8 6 20 18 4 10 1 1 0 0 0 1 0 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 1 0 0 0 0 0 0 0 0 0 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 1 2 1 1 0 0 0 0 0 1 1 2 1 8 12 10 8 12 88 17 3 5 6 58 100 12 5 4 5 1 0 1 1 1 0 1 1 2 1 2 2 4 23 7 6 2 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; 1HNMR: 82 82 s 1H \| 78 78 d 1H J 86 \| 78 77 dd 1H J 20 86 \| 75 75 m 4H \| 74 74 m 3H \| 40 40 s 3H \| 39 39 s 3H \| 24 24 s 3H \| 13 13 s 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1cc([C@H]2CCN[C@@H](Cc3cc(F)cc(F)c3)C2)o[nH]1	ir: 9 3 7 9 8 6 11 10 6 3 14 10 6 7 8 6 11 15 8 9 13 7 12 9 13 11 10 14 13 26 55 6 20 17 9 9 9 7 11 14 29 17 18 14 6 5 10 12 9 5 5 6 3 1 6 10 10 12 19 30 33 40 71 57 19 47 52 20 26 11 22 8 7 2 4 3 5 3 1 1 13 2 2 2 1 1 1 1 1 2 2 1 19 44 6 14 12 11 11 7 8 5 16 12 14 5 4 2 8 8 24 19 70 47 39 40 27 26 10 22 11 21 7 13 25 35 28 28 19 15 11 14 15 8 4 5 10 4 10 4 2 2 4 1 2 12 27 16 4 3 2 3 4 1 0 2 1 2 14 77 39 100 12 10 3 0 2 2 1 0 1 1 0 0 1 1 2 1 1 1 0 1 1 1 0 0 1 1 1 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 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 2 1 2 2 2 2 1 3 5 4 7 7 3 5 4 6 6 12 21 32 41 57 31 31 32 19 11 3 5 6 3 2 1 6 5 2 8 5 11 24 27 54 40 33 28 62 18 7 11 6 3 3 4 3 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 0 0 0 1 0 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; 1HNMR: 69 68 tt 1H J 22 121 \| 68 67 ddt 2H J 8 17 121 \| 57 56 d 1H J 18 \| 32 31 pdd 1H J 26 45 70 \| 30 29 m 2H \| 29 28 ddt 1H J 8 70 130 \| 28 27 dddd 1H J 27 37 55 136 \| 27 26 ddt 1H J 9 69 132 \| 26 25 m 1H \| 20 19 m 2H \| 18 17 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C(=O)C(=O)N(C)[C@@H]1C[C@H]2CN(Cc3ccc(F)cc3)C(=O)c3c(O)c(=O)nc1n32	ir: 6 6 10 9 6 3 11 11 6 23 15 10 3 4 5 4 2 5 6 5 3 5 9 16 19 11 24 26 70 32 15 9 19 48 13 24 16 9 10 11 60 5 13 74 33 13 7 19 11 6 14 13 16 9 19 9 12 14 6 2 3 5 3 4 4 4 2 1 13 14 6 9 6 14 19 8 3 3 2 2 4 5 4 7 10 9 10 8 5 4 9 5 10 10 15 29 23 36 4 9 12 19 54 15 79 25 23 34 13 5 1 4 7 4 5 6 11 8 5 18 25 15 8 17 11 8 10 5 14 6 19 19 6 7 3 6 3 4 4 100 13 5 14 14 69 55 7 17 15 7 4 11 16 4 2 5 4 1 2 14 1 3 1 2 1 0 1 2 1 0 1 3 1 0 2 3 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 1 1 3 2 1 2 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 4 3 3 3 3 4 3 4 5 4 7 5 5 8 14 48 12 45 33 15 9 8 82 82 5 4 6 4 3 2 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 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2; 1HNMR: 94 93 s 1H \| 73 73 ddt 2H J 9 34 81 \| 71 70 m 2H \| 47 46 m 2H \| 45 45 dt 1H J 8 128 \| 44 44 ddddd 1H J 8 25 42 50 59 \| 40 40 dd 1H J 24 112 \| 34 33 dd 1H J 51 110 \| 30 30 d 9H J 19 \| 20 19 ddd 1H J 53 61 112 \| 18 17 ddd 1H J 42 72 112	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC1(N2CCC3(CC2)C(=O)NCC3c2ccccc2)CCCCC1	ir: 2 10 8 5 2 5 10 6 15 20 22 64 20 12 9 3 4 5 3 2 2 6 4 6 6 3 8 6 30 39 63 39 65 11 22 10 3 4 7 4 10 10 17 5 7 6 2 2 3 4 5 14 2 4 2 1 4 4 2 3 5 5 3 3 7 7 4 8 5 14 11 4 4 5 3 5 6 7 3 7 3 3 4 7 12 7 18 8 4 4 4 2 6 6 4 7 7 6 15 6 5 7 7 9 10 13 11 5 8 8 11 8 8 12 19 7 16 6 16 8 10 13 0 8 7 4 3 9 11 22 17 7 8 7 13 24 12 7 3 6 5 4 12 16 8 3 7 4 4 4 6 12 37 74 9 5 5 2 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 3 2 1 2 3 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 3 2 1 2 3 2 1 2 3 1 1 2 3 2 1 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 4 2 3 5 7 5 7 11 4 4 5 12 5 14 19 42 14 100 11 5 4 3 3 3 3 2 3 3 2 2 2 3 2 3 3 3 2 2 3 5 13 39 42 10 5 3 3 3 2 2 3 2 1 2 3 3 2 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 73 72 s 5H \| 61 60 t 1H J 52 \| 37 36 ddd 1H J 32 51 130 \| 34 33 ddd 1H J 33 53 130 \| 32 32 t 1H J 32 \| 30 29 ddd 2H J 34 60 123 \| 28 27 ddd 2H J 34 60 123 \| 23 23 ddd 2H J 34 60 136 \| 20 19 m 4H \| 18 17 ddd 2H J 30 60 123 \| 17 16 m 2H \| 16 15 m 3H \| 15 14 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cnc2ccc(NCc3ccc(Cl)c(Cl)c3)nn12	ir: 24 5 4 14 1 5 4 4 3 10 7 5 7 5 8 9 10 13 9 13 8 22 30 5 8 13 5 6 9 4 6 9 7 19 11 4 13 10 10 3 16 14 25 12 5 3 7 5 4 5 5 5 23 100 51 26 23 40 17 5 3 3 6 18 24 24 30 7 4 2 3 3 2 3 4 4 3 4 5 12 5 5 3 1 1 4 6 3 2 3 3 37 19 5 4 3 3 26 66 15 13 10 6 3 4 5 18 9 6 9 16 7 2 10 15 99 53 19 1 13 24 18 13 14 28 10 7 4 2 2 3 7 8 6 2 2 2 29 19 24 3 4 12 12 4 1 4 54 24 12 8 25 45 34 10 1 2 3 1 0 9 4 1 1 1 2 1 1 2 3 21 3 2 3 1 1 1 2 1 0 1 1 0 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 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 2 1 0 2 2 1 2 1 1 2 2 2 3 3 5 14 6 2 3 5 3 5 13 27 67 66 57 76 47 37 14 6 11 7 4 2 3 7 6 6 7 7 17 53 12 15 23 42 46 52 27 4 5 3 3 5 6 3 3 2 4 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 0 1 1 1 0 0 1 0 0 0 0 0 1 1 1 1 1 1 1 1 0 1 0 1 0 1 0 1 1 0 0 1 0 0 0 0 0 0 0 1 1 0 0; 1HNMR: 76 76 d 1H J 88 \| 75 75 m 1H \| 74 74 dtd 2H J 12 21 46 \| 72 71 d 1H J 90 \| 71 71 s 1H \| 68 68 t 1H J 49 \| 52 52 s 2H \| 47 46 dt 2H J 8 48	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCOc1cnc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(OC)n1	ir: 4 10 8 6 11 6 6 4 5 5 4 7 16 20 12 7 5 5 5 3 3 3 4 4 4 8 4 3 3 3 3 3 5 4 5 8 7 5 4 4 5 3 4 7 5 4 10 25 7 5 6 13 5 7 9 15 10 4 7 9 5 7 5 4 3 10 33 15 15 6 4 3 4 4 4 4 6 5 4 3 4 3 4 4 100 34 4 4 8 9 18 11 6 5 14 8 7 3 3 3 3 3 3 3 3 5 5 5 10 5 8 23 17 7 4 3 2 6 8 9 0 41 8 7 6 4 2 4 4 4 11 5 6 22 5 3 4 4 6 4 3 4 5 29 4 3 11 4 4 5 3 3 3 3 3 4 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 6 3 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 6 10 7 6 4 3 3 3 3 3 3 3 3 3 3 3 3 4 6 3 3 3 3 3 3 4 6 12 55 23 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 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 90 90 s 1H \| 79 78 dd 1H J 12 87 \| 76 75 dd 1H J 13 79 \| 75 74 dd 1H J 79 86 \| 71 71 s 1H \| 51 50 d 2H J 24 \| 41 41 s 3H \| 26 26 t 1H J 26	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2nc(CO[C@H]3CCC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)C3)c(C)o2)cc1	ir: 1 2 0 1 1 2 3 2 1 5 12 6 6 9 6 6 11 5 7 26 35 100 9 4 4 9 4 4 4 1 4 2 2 3 4 4 10 6 8 5 12 15 7 2 1 3 3 1 1 4 7 7 4 16 7 4 2 3 2 2 2 4 2 5 1 10 3 2 6 6 3 3 3 2 7 4 16 24 34 9 14 6 5 5 5 6 3 2 1 3 3 2 1 1 1 6 2 2 1 2 1 1 0 2 4 2 7 5 8 7 5 4 3 4 2 2 3 8 3 5 5 6 10 4 12 5 7 4 5 5 7 8 2 0 1 1 3 2 1 2 1 5 4 25 7 16 64 13 14 4 3 2 2 1 1 1 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 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 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 2 1 1 1 2 1 2 3 1 2 5 3 5 3 7 4 26 19 6 1 1 1 1 0 1 4 12 54 9 2 1 1 0 1 1 1 2 5 8 8 16 7 14 9 7 0 1 1 1 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 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: 79 79 m 2H \| 77 76 d 1H J 95 \| 73 72 dq 2H J 8 83 \| 47 47 d 1H J 148 \| 46 45 d 1H J 148 \| 43 42 ddp 1H J 15 66 95 \| 40 40 m 1H \| 25 25 ddddd 1H J 25 41 53 66 79 \| 24 23 d 5H J 10 \| 21 19 m 2H \| 19 15 m 8H \| 10 9 ddd 6H J 15 65 94	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C)(C)C(=O)c1ccc(Cl)c(Cl)c1	ir: 5 6 6 4 5 3 2 2 2 3 6 6 1 2 4 5 2 1 0 0 0 1 1 0 0 0 0 0 0 0 1 2 3 1 2 2 1 1 16 17 4 2 2 1 1 1 0 0 0 0 0 0 2 2 14 8 3 1 1 1 2 1 1 1 1 4 3 2 2 1 4 4 4 3 3 1 2 0 1 0 1 2 3 2 9 4 1 1 0 0 1 1 2 6 2 1 2 1 0 0 0 0 0 0 0 0 0 1 1 1 1 7 12 4 6 10 15 7 9 8 5 5 18 9 12 3 1 2 2 3 3 3 1 1 0 1 1 5 3 1 1 1 3 2 1 6 100 4 8 11 2 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 1 1 0 1 0 1 1 1 1 1 4 7 21 6 6 17 22 13 5 1 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 d 1H J 22 \| 78 77 dd 1H J 20 81 \| 77 77 d 1H J 81 \| 42 42 q 2H J 61 \| 14 14 s 5H \| 13 12 t 3H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cncc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(C)nc3cc(F)cc(F)c23)c1	ir: 2 1 1 2 3 3 3 2 2 2 2 5 2 4 3 2 4 3 2 5 4 5 3 1 2 1 3 3 3 6 2 3 2 3 15 4 2 4 13 3 4 4 1 1 1 0 1 1 1 1 1 1 5 1 1 1 2 1 1 2 1 0 2 3 2 3 5 22 18 16 3 1 5 5 1 1 1 1 1 1 3 2 1 1 1 3 1 1 1 1 1 2 2 5 1 1 1 1 5 2 1 1 1 1 1 1 1 1 1 1 1 2 4 2 4 2 14 1 4 5 8 3 3 2 11 5 2 3 5 2 1 1 1 3 1 3 2 2 2 6 2 6 2 1 1 1 1 1 1 2 2 2 1 1 2 2 1 3 2 4 17 6 2 15 100 3 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 3 4 3 2 18 11 6 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 2 3 9 10 9 2 4 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 s 1H \| 84 84 t 1H J 17 \| 82 82 s 1H \| 81 81 t 1H J 17 \| 75 74 t 1H J 17 \| 74 73 dd 1H J 22 121 \| 70 69 td 1H J 21 121 \| 64 63 s 1H \| 39 39 s 3H \| 38 38 dd 4H J 49 56 \| 36 36 dd 4H J 47 56 \| 25 25 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.
CC(C)CC(O)c1ccc(CNC(=O)OC(C)(C)C)cn1	ir: 9 11 6 4 9 7 13 8 13 5 6 3 4 3 1 3 4 3 3 3 3 4 5 4 4 2 15 15 12 10 3 3 2 2 5 7 11 6 8 5 3 2 3 2 2 4 2 4 3 4 4 7 6 11 21 4 3 1 2 1 1 2 2 2 1 1 1 2 2 5 3 2 2 1 1 1 2 2 1 2 1 1 1 2 6 13 15 17 30 5 7 10 2 3 6 4 2 3 2 2 1 2 8 2 1 2 1 2 2 3 1 1 2 2 2 1 2 2 2 5 2 6 1 6 5 3 8 3 3 6 4 2 7 5 6 5 12 28 4 2 1 5 6 12 45 25 4 2 10 28 23 4 4 2 1 2 1 0 1 4 100 4 1 0 1 1 1 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 1 1 3 4 3 8 15 4 5 7 5 5 4 3 3 3 13 71 13 6 3 2 1 1 1 1 1 1 1 1 3 3 6 18 16 8 6 2 1 1 0 1 1 0 1 1 1 0 0 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 0 0 0 0 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 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0; 1HNMR: 85 85 dt 1H J 9 20 \| 77 76 ddt 1H J 8 18 81 \| 74 74 dd 1H J 7 82 \| 61 60 t 1H J 65 \| 48 48 m 1H \| 46 46 dt 2H J 9 65 \| 36 35 d 1H J 49 \| 20 19 ddd 1H J 71 90 152 \| 18 16 m 2H \| 14 14 s 8H \| 10 10 d 3H J 64 \| 9 9 d 3H J 65	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(Cc1ccccc1)c1cnnn1-c1ccccc1	ir: 4 2 0 2 5 7 2 3 4 2 1 3 4 1 1 5 4 1 0 3 4 1 1 3 3 1 1 4 4 2 3 6 18 17 3 5 3 1 2 10 8 31 13 11 5 3 4 4 3 0 2 4 3 0 3 4 3 1 3 6 15 12 10 26 7 4 4 5 11 10 11 8 3 2 6 22 5 4 11 3 25 10 5 4 2 1 3 3 1 14 5 4 1 1 3 5 2 6 7 3 0 1 3 2 0 2 3 2 0 2 4 3 1 3 4 2 0 3 7 5 2 6 7 4 6 5 7 6 1 4 10 19 14 27 8 43 16 6 5 2 2 3 8 10 10 7 4 4 1 3 3 7 5 3 3 1 2 3 2 1 1 3 2 0 2 3 2 1 2 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 2 1 1 3 3 1 1 2 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 3 1 1 3 2 1 2 4 4 2 2 4 3 0 3 5 7 2 17 97 30 6 3 4 4 1 3 4 2 2 3 4 5 15 48 11 7 2 4 5 2 100 13 0 3 2 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 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 2 2 2 1 2 3 2 1; 1HNMR: 81 81 s 1H \| 75 75 m 2H \| 75 74 m 2H \| 73 72 m 1H \| 72 72 m 3H \| 72 71 ddt 2H J 9 16 71 \| 45 44 m 1H \| 32 31 ddt 1H J 9 64 142 \| 30 29 ddt 1H J 9 64 141 \| 26 25 d 2H J 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(NC(=O)C(C)(C)O)cc(OCc2ccccc2)c1	ir: 8 3 4 2 2 2 4 3 0 2 2 1 1 1 1 2 4 2 1 1 2 1 1 1 1 2 2 5 3 9 5 13 2 1 2 2 3 11 13 15 17 32 15 2 5 5 3 2 1 1 1 0 1 1 1 1 1 2 2 4 5 2 3 15 5 4 4 7 5 7 6 4 10 7 4 6 9 15 7 4 5 2 4 2 4 6 6 12 5 7 2 2 1 3 9 3 2 3 2 5 9 23 23 14 4 4 0 2 1 2 4 3 1 2 1 1 1 1 1 2 4 1 1 1 1 1 2 8 3 4 4 2 2 2 9 9 4 1 1 0 0 1 4 31 12 85 9 10 6 1 2 2 3 1 1 1 1 0 0 2 14 7 6 25 6 1 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 0 1 1 1 1 1 1 2 3 2 1 2 2 1 1 3 1 2 5 8 2 4 6 4 8 12 9 22 95 37 7 7 6 14 9 26 100 21 20 16 5 4 4 2 1 3 3 1 2 6 9 11 25 13 11 3 4 3 3 2 3 1 1 1 1 1 1 0 1 1 1 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 s 1H \| 74 74 ddt 2H J 9 15 67 \| 74 73 m 2H \| 73 73 m 1H \| 72 72 d 2H J 22 \| 67 66 t 1H J 25 \| 50 49 d 2H J 9 \| 46 46 s 1H \| 23 23 s 3H \| 14 14 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(F)c([N+](=O)[O-])cc1C(C)=O	ir: 29 15 1 12 26 15 0 16 24 9 2 16 22 9 4 23 23 19 13 29 33 18 8 18 20 7 4 19 21 8 11 26 19 9 10 28 25 15 40 100 23 9 13 25 17 3 10 22 14 1 10 23 13 0 11 24 12 0 12 25 15 3 15 25 14 13 77 90 90 25 25 39 18 8 19 21 9 5 17 19 13 14 19 19 6 6 18 17 5 6 18 16 5 8 19 16 9 16 23 15 4 9 21 15 4 15 53 18 6 15 22 12 0 14 24 15 2 19 32 23 13 30 44 36 46 88 39 22 6 17 41 18 6 19 27 40 19 20 18 9 7 19 24 8 8 18 17 11 11 31 62 80 19 25 83 28 23 30 24 8 15 21 15 35 57 22 14 3 11 21 12 1 12 22 11 3 13 21 10 3 13 20 10 4 14 19 9 4 15 18 8 5 15 18 7 6 16 17 7 6 17 16 6 7 17 15 5 8 18 15 5 9 19 14 4 9 19 13 3 10 20 13 3 11 20 12 2 11 21 11 3 12 20 10 3 12 20 10 4 13 19 9 4 14 18 9 5 15 17 8 6 15 17 7 7 16 16 7 7 16 15 7 8 18 15 6 9 19 16 8 11 22 17 5 10 20 13 5 11 21 15 16 28 45 37 38 53 94 29 11 14 21 12 5 15 19 10 4 14 18 10 5 14 19 9 6 14 17 8 7 15 16 8 7 17 16 7 8 16 15 7 9 17 14 6 9 17 14 5 10 18 13 5 10 18 12 4 11 19 12 4 11 19 11 4 12 19 11 4 12 18 10 5 13 17 10 6 13 17 9 6 14 16 9 7 14 16 8 7 15 15 8 8 15 15 7 8 16 14 7 9 16 14 6 9 17 13 6 10 17 12 5 10 18 12 5 11 18 12 4; 1HNMR: 85 85 d 1H J 46 \| 69 69 d 1H J 121 \| 39 39 s 3H \| 26 26 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(c2cc(C3C4CC5CC(C4)CC3C5)nc(N)n2)CC1	ir: 3 6 4 6 3 6 4 3 3 4 3 4 10 11 6 3 6 4 4 7 7 2 6 9 9 5 6 8 10 6 3 5 5 21 12 15 15 34 50 31 15 9 12 9 6 4 4 3 5 3 3 6 2 1 2 2 6 4 4 3 2 5 2 13 6 8 12 5 6 2 2 2 4 1 3 3 3 9 26 5 7 5 2 7 9 7 5 3 2 2 1 1 1 1 1 2 2 6 4 2 4 1 4 4 2 2 2 3 3 3 7 5 4 6 4 2 3 2 1 3 3 3 2 3 4 3 3 3 3 1 2 2 1 3 1 6 5 4 3 8 5 6 5 8 16 100 84 51 41 10 5 4 1 4 2 1 1 4 5 14 20 30 9 5 5 5 3 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 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 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 1 1 1 0 2 2 2 2 2 2 3 1 2 6 6 3 2 6 7 5 2 1 1 1 1 1 1 1 1 2 1 3 3 4 13 22 20 18 9 3 5 2 1 2 1 2 2 20 55 2 2 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 1 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; 1HNMR: 61 60 d 1H J 7 \| 59 59 s 2H \| 37 36 m 4H \| 30 29 m 1H \| 29 29 s 3H \| 25 24 m 4H \| 22 21 m 2H \| 20 19 m 6H \| 17 17 t 2H J 55 \| 17 16 dt 4H J 59 128	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC#Cc1ccc(C(F)(F)F)cc1	ir: 2 7 11 5 2 7 11 6 2 6 10 4 0 23 28 25 6 6 7 4 4 6 7 4 4 7 7 4 5 11 10 9 6 7 7 4 4 7 7 5 6 8 7 3 5 8 6 3 5 8 6 3 5 10 8 27 29 42 6 6 6 9 5 3 6 8 12 11 6 9 6 5 9 8 5 4 6 7 4 4 7 7 4 4 8 11 11 12 10 7 3 4 9 9 4 5 6 16 3 100 42 13 5 6 8 6 3 5 8 6 6 11 10 18 5 9 9 6 4 7 9 7 5 7 7 25 17 43 11 5 2 7 8 4 3 7 8 4 3 7 7 4 4 8 7 4 5 43 46 7 10 10 8 6 6 8 6 3 5 8 6 3 5 8 6 3 5 8 6 2 5 8 5 3 6 8 5 3 6 8 5 3 6 8 5 3 6 8 6 4 6 7 4 4 7 7 4 4 7 7 4 4 7 7 4 4 7 6 4 4 7 6 3 5 7 6 3 5 8 6 3 5 8 6 3 5 8 5 3 5 8 5 3 6 8 5 3 6 8 5 3 6 7 5 3 6 7 4 4 6 7 4 4 7 7 4 4 7 7 4 4 7 7 4 5 7 6 4 5 8 7 4 5 8 6 3 5 8 6 4 6 10 7 2 12 25 52 34 31 7 12 8 7 8 5 5 6 7 5 4 6 7 5 4 6 7 5 4 6 6 4 4 6 6 4 4 6 6 4 5 7 6 4 5 7 6 4 5 7 6 4 5 7 6 4 5 7 6 3 5 7 5 3 5 7 5 3 6 7 5 4 6 7 5 4 6 7 5 4 6 7 5 4 6 7 5 4 6 6 4 4 6 6 4 4 6 6 4 5 7 6 4 5 7 6 4 5 7 6 4 5 7 6 4 5 7 5 4 5 7; 1HNMR: 77 76 dq 2H J 14 106 \| 76 75 m 2H \| 20 20 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](N=[N+]=[N-])[C@@H](Cc1ccc(Cl)cn1)c1ccccc1	ir: 4 4 9 15 16 6 5 4 5 6 7 3 9 6 9 3 2 4 4 3 2 6 5 6 4 4 4 4 5 6 15 31 47 20 10 5 13 25 5 2 7 100 22 0 3 5 4 1 3 5 3 0 7 19 20 10 13 9 4 3 3 5 2 2 4 5 10 10 6 69 4 3 4 5 4 1 5 5 7 15 23 7 8 6 11 8 6 3 5 12 10 8 5 6 13 17 11 17 12 10 8 6 2 12 14 9 13 9 5 3 1 3 5 5 1 3 7 3 11 8 12 10 8 6 4 2 2 6 6 6 5 8 11 19 9 20 19 50 25 7 8 3 15 31 30 17 11 16 10 19 3 21 23 4 3 4 3 5 26 51 3 0 2 5 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 4 3 1 2 9 29 1 1 4 3 1 2 3 2 1 2 3 2 1 2 3 2 0 2 4 2 0 2 4 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 2 2 3 3 1 2 3 3 1 2 4 4 3 3 4 3 6 6 4 6 4 11 12 9 29 23 33 42 91 70 55 7 5 7 7 4 1 4 5 2 1 3 4 2 1 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 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 85 85 d 1H J 19 \| 75 75 dd 1H J 19 80 \| 73 73 m 2H \| 73 72 m 3H \| 72 71 dt 1H J 9 80 \| 39 38 p 1H J 76 \| 34 33 ddd 1H J 8 72 147 \| 32 31 m 1H \| 31 31 m 1H \| 12 11 dd 3H J 15 77	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@]12C[C@@H]3CC[C@H]4CC(=O)CC[C@@H]4[C@H]3C[C@H]1CC[C@H]2O	ir: 5 4 1 2 5 2 1 2 3 2 1 1 3 3 11 4 4 2 4 2 2 1 1 2 2 1 1 1 1 1 2 2 1 0 1 2 1 0 1 1 1 1 1 1 1 2 1 3 3 1 2 2 1 4 1 2 1 1 2 3 1 1 2 2 2 1 1 3 4 2 5 2 2 3 2 2 2 4 2 1 1 2 1 6 11 13 9 49 7 5 13 9 6 3 3 5 2 2 2 4 0 4 22 10 34 2 4 3 4 4 6 4 2 5 3 3 2 4 3 6 6 6 10 11 9 7 5 3 3 1 3 2 2 1 2 2 1 1 2 2 2 2 2 7 38 2 2 1 1 3 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 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 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 2 4 3 6 7 13 3 4 7 6 1 4 7 20 11 3 4 2 2 3 3 2 14 46 100 7 8 2 4 3 2 1 2 2 2 1 2 2 2 1 2 2 1 2 2 2 2 2 2 2 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 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 37 37 tdt 1H J 15 33 53 \| 26 26 dd 1H J 45 157 \| 26 25 ddd 1H J 61 89 150 \| 25 23 m 3H \| 19 17 m 5H \| 16 14 m 10H \| 14 12 m 4H \| 9 9 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C[C@H](O)C(=O)OCc1ccccc1	ir: 17 13 7 3 3 3 6 5 1 2 3 8 8 2 1 1 1 1 4 4 1 1 1 2 2 2 2 2 2 6 5 2 4 1 2 2 2 2 4 40 35 6 4 1 1 1 0 1 2 1 1 1 1 1 1 1 1 1 3 2 1 0 1 3 1 1 3 3 3 2 2 1 1 3 4 3 2 3 3 1 2 2 1 0 2 5 6 13 31 22 35 5 2 2 2 2 3 8 6 4 3 1 1 1 1 1 3 4 4 2 2 2 2 2 2 1 5 10 6 6 4 2 3 2 1 2 3 2 1 1 2 1 1 8 12 8 16 4 1 1 1 2 14 19 9 17 9 2 1 1 1 1 4 2 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 5 2 5 7 9 10 17 17 7 3 2 2 3 24 100 28 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 1 0 1 1 0 0 1 0 0 0 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 0 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 \| 52 51 m 2H \| 42 42 td 1H J 58 80 \| 39 38 d 1H J 59 \| 19 18 dtt 1H J 67 81 134 \| 18 17 dt 1H J 80 137 \| 15 15 dt 1H J 81 137 \| 10 10 d 3H J 67 \| 9 9 d 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)C(O)C(N)c1ccccc1	ir: 1 2 4 3 3 6 9 9 13 11 9 6 17 15 15 14 17 31 16 20 17 24 31 75 37 44 45 37 25 32 100 80 15 5 11 4 5 7 3 2 31 47 3 5 8 11 7 6 4 15 16 3 2 8 3 5 3 3 12 4 4 2 5 6 7 7 10 19 78 40 49 22 30 11 15 40 85 39 24 16 22 30 25 8 9 7 4 25 16 30 28 18 38 19 10 5 3 4 9 4 6 3 2 2 4 2 1 5 17 8 0 3 10 17 9 3 3 4 6 6 3 3 2 7 9 5 4 10 10 34 25 44 55 10 12 50 25 5 2 4 3 13 9 11 34 69 11 6 6 1 1 7 6 6 5 6 58 84 15 2 5 3 2 2 2 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 2 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 2 4 4 3 3 3 3 3 5 7 22 22 15 7 3 3 3 8 44 35 9 3 3 4 5 10 23 10 29 37 10 12 14 81 62 0 3 3 2 2 4 34 35 5 2 2 0 0 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 73 72 m 5H \| 69 69 s 2H \| 45 44 q 1H J 66 \| 42 42 dd 1H J 48 68 \| 37 37 d 1H J 48 \| 33 33 d 2H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1cc2cc(O)c(Cl)c(Cl)c2s1	ir: 4 4 1 3 4 3 1 4 6 3 1 2 2 3 1 4 2 2 1 1 2 2 2 5 3 4 2 2 3 1 2 4 3 3 2 1 2 1 1 1 1 1 2 2 2 2 4 9 8 3 1 2 2 1 2 2 1 1 1 2 2 1 2 3 2 2 2 3 6 8 3 4 7 3 3 2 2 2 2 1 6 4 8 12 29 35 88 37 12 12 9 5 8 2 4 2 1 1 2 2 0 1 4 12 1 1 1 1 1 1 11 10 3 2 2 2 1 1 2 1 1 1 1 1 1 1 2 2 2 1 1 1 20 5 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 4 2 0 1 1 1 0 1 1 1 0 7 23 1 1 1 2 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 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 2 1 1 1 3 2 3 2 3 2 2 2 2 2 1 4 42 14 38 7 5 3 3 20 100 33 4 3 2 2 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 72 s 1H \| 70 70 m 2H \| 50 49 t 1H J 51 \| 46 46 dd 2H J 9 51	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2occ(C=O)c(=O)c2c1	ir: 23 14 3 15 21 9 0 11 18 8 1 12 23 10 20 42 40 12 4 13 16 6 3 13 15 5 17 20 14 5 9 23 29 6 6 16 14 6 15 23 21 5 9 23 41 21 38 44 14 3 10 22 13 14 20 28 20 7 14 20 10 1 11 18 8 2 11 20 11 8 18 23 17 9 20 30 13 7 19 16 7 5 16 16 11 7 15 19 12 8 17 13 4 6 15 13 3 10 19 15 5 7 17 25 6 12 32 33 21 23 36 26 6 16 31 37 11 20 17 9 4 14 19 22 11 17 18 12 7 15 16 22 4 12 15 13 17 47 46 20 5 13 14 5 8 27 45 43 80 29 61 5 12 17 21 16 84 91 74 44 13 23 14 12 8 17 10 1 9 17 9 1 9 17 8 1 10 16 8 2 10 16 7 3 11 15 7 3 11 15 6 4 12 14 6 4 13 13 5 5 13 13 5 5 14 12 4 6 14 12 4 7 15 11 3 7 15 10 3 8 16 10 2 8 16 9 2 9 17 9 2 9 16 8 2 10 15 8 3 11 15 7 3 11 14 7 4 11 14 6 4 12 13 6 5 12 13 5 6 13 12 5 6 13 12 5 7 14 12 6 10 16 11 4 8 16 11 4 9 17 14 7 13 20 15 20 29 100 42 26 39 39 11 5 11 17 9 5 11 14 7 4 12 14 7 5 12 13 7 5 12 13 6 6 13 12 5 6 13 12 5 7 13 11 5 7 14 11 4 7 14 10 4 8 14 10 3 8 15 9 3 9 15 9 3 9 15 8 3 10 14 8 4 10 14 8 4 11 13 7 5 11 13 7 5 11 12 6 6 12 12 6 6 12 11 6 7 12 11 5 7 13 11 5 7 13 10 4 8 14 10 4 8 14 9 4 9 14 9 3; 1HNMR: 82 81 d 1H J 14 \| 80 80 d 1H J 21 \| 76 76 m 1H \| 76 75 d 1H J 83 \| 24 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1C[C@H](c2ccc(Cl)c(NC(=O)C(F)(F)F)c2)CN1	ir: 8 2 2 5 13 27 6 6 10 8 1 6 5 3 1 4 5 12 7 17 17 20 13 11 7 3 5 4 9 3 2 4 5 7 13 6 11 9 31 24 100 30 2 17 9 4 4 4 7 2 2 5 5 40 34 7 39 7 3 4 4 1 4 4 4 5 12 11 11 10 13 7 3 1 9 5 20 4 3 3 2 3 4 4 2 2 3 3 2 3 3 3 4 6 15 7 8 11 52 15 5 6 6 3 0 3 4 2 0 3 9 8 34 8 8 7 12 5 8 11 5 7 7 7 5 8 9 7 4 22 17 5 3 5 5 3 16 5 4 3 1 3 4 3 3 5 93 38 23 9 13 26 56 58 44 27 23 10 4 1 2 4 8 10 3 4 2 1 2 4 2 0 2 4 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 3 1 1 3 3 1 2 3 3 2 2 3 2 1 2 3 3 1 4 3 11 3 3 4 4 9 3 6 20 10 14 26 35 18 5 6 3 2 3 4 3 2 3 5 2 1 4 5 3 3 8 13 20 25 31 67 53 21 17 13 5 5 5 3 2 2 3 2 1 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 1 2 3 1 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 2 3 2 1 2 2 2 1 2 3 2 1 2 3 2 1; 1HNMR: 88 88 q 1H J 9 \| 75 75 dd 1H J 7 21 \| 74 73 d 1H J 88 \| 71 70 m 1H \| 59 59 t 1H J 37 \| 38 38 ddd 1H J 22 37 128 \| 36 35 dt 1H J 41 130 \| 35 34 m 1H \| 25 24 dd 1H J 46 161 \| 23 22 dd 1H J 65 162	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(-c2coc(-c3ccc(Cl)cc3)n2)cc1	ir: 3 3 3 3 3 3 4 4 7 7 15 7 9 7 11 3 3 4 2 3 4 4 3 18 36 20 17 24 9 5 5 8 8 18 8 4 4 5 6 3 4 20 100 5 6 3 4 8 6 2 5 10 11 0 21 0 7 17 9 3 4 5 11 9 15 16 12 3 6 50 4 4 6 11 3 3 7 7 24 40 4 10 5 5 12 7 4 3 3 17 3 3 4 6 4 16 3 3 3 3 4 3 4 3 6 13 4 5 5 18 7 5 5 5 5 3 4 6 17 7 15 5 6 6 16 17 18 6 6 4 9 27 29 49 9 5 4 3 3 3 3 5 7 6 29 45 30 25 15 13 17 7 10 3 17 4 4 3 4 2 10 3 3 3 3 3 3 3 3 5 4 3 3 2 2 3 3 2 3 2 2 2 2 3 2 2 2 2 2 3 3 3 2 2 2 3 3 2 2 3 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 3 2 2 2 3 2 2 2 2 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 3 2 2 3 3 3 3 4 3 3 2 3 3 3 4 5 4 3 3 3 7 8 11 16 32 66 77 37 18 12 7 3 5 5 3 2 3 3 4 3 3 3 2 2 3 3 3 2 3 3 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; 1HNMR: 86 86 s 1H \| 81 80 m 2H \| 79 79 m 2H \| 77 77 m 2H \| 74 74 m 2H \| 44 44 q 2H J 64 \| 14 14 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(C(CCN2CC3CCC2CC3)(c2ccccc2)c2nnn[nH]2)cc1	ir: 3 3 3 7 10 3 2 7 3 8 3 3 4 2 4 3 4 4 1 3 3 2 3 3 3 2 1 4 4 4 4 7 18 7 18 41 5 3 3 2 100 10 40 41 82 62 63 8 8 9 5 4 6 3 6 7 4 2 3 4 2 3 4 4 6 2 3 3 10 7 8 12 9 3 4 4 2 4 5 6 6 15 25 5 2 2 3 3 8 31 11 4 2 3 15 11 4 4 4 5 2 6 6 7 5 4 4 8 12 9 8 9 9 9 6 5 3 4 5 3 3 12 9 9 4 5 8 4 3 5 9 3 4 10 10 62 4 6 8 14 3 4 6 6 28 36 8 3 4 3 4 16 90 44 11 0 2 5 3 1 4 6 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 2 3 2 1 2 3 1 1 2 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4 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 2 2 2 2 2 2 3 2 2 3 2 2 2 3 2 2 2 3 3 3 4 6 3 2 4 4 4 6 3 6 12 21 35 71 95 20 6 6 3 2 4 4 2 2 3 4 3 2 2 3 2 1 3 3 5 4 6 6 5 25 80 36 12 15 5 5 2 2 4 3 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 2 3 2 1 2 3 2 1 2 3 2 1 2 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 1 2 3 2 1; 1HNMR: 76 75 m 4H \| 75 74 m 2H \| 74 73 m 4H \| 28 28 m 5H \| 24 23 t 2H J 72 \| 18 17 m 6H \| 15 14 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

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