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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=C1CC(c2ccccc2O)=Nc2ccc(-c3ccc(F)cc3)cc2N1	ir: 1 1 3 1 0 10 7 6 5 2 3 2 4 2 2 3 17 3 3 6 2 3 4 2 1 4 2 1 1 2 5 6 5 72 12 0 1 2 2 0 1 2 43 4 2 1 6 4 2 1 3 16 5 73 10 7 12 4 1 1 2 2 1 0 1 2 2 4 16 4 7 1 2 4 2 2 2 3 25 66 6 1 3 2 19 5 2 2 3 4 2 1 1 1 1 2 2 3 2 6 2 8 1 1 1 1 0 1 1 1 1 1 1 1 4 2 2 2 7 2 3 3 6 3 1 4 7 4 5 2 1 2 4 18 7 4 4 4 3 2 1 3 3 41 5 21 6 14 5 12 13 5 13 6 4 41 20 2 1 4 4 1 1 1 1 4 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 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 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 1 1 1 2 1 1 2 1 1 2 2 1 1 1 2 2 4 16 9 11 100 19 9 3 2 3 2 1 7 20 22 1 2 1 1 1 1 1 1 1 2 2 5 6 10 7 8 3 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 95 95 s 1H \| 92 91 s 1H \| 79 79 d 1H J 18 \| 77 76 dd 1H J 15 75 \| 75 74 m 4H \| 74 73 td 1H J 15 81 \| 72 71 m 2H \| 70 70 td 1H J 13 77 \| 69 68 dd 1H J 14 82 \| 37 36 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccc(NC(=O)c2c(C)nsc2N)cn1	ir: 2 4 2 3 4 7 2 6 5 2 2 2 1 2 2 2 3 3 4 7 7 5 7 16 16 8 5 3 5 3 1 3 2 2 4 6 3 1 2 1 1 1 1 2 2 1 2 3 9 11 26 13 25 10 21 18 4 5 2 1 1 2 1 2 2 2 3 1 2 15 5 3 3 6 4 3 1 2 1 1 1 21 2 1 1 1 1 1 2 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 2 12 5 1 1 4 7 1 1 1 1 2 1 1 1 1 1 1 0 2 4 2 2 1 2 0 1 2 4 2 0 1 3 17 23 2 1 9 28 2 1 0 1 1 9 19 23 14 19 100 7 6 10 13 20 17 5 4 3 1 1 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 1 1 1 1 2 5 4 2 3 5 7 2 1 2 1 1 1 0 0 1 0 1 1 1 1 1 1 5 6 1 1 1 3 4 11 13 11 4 1 20 12 6 2 1 1 1 1 0 0 0 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 d 1H J 19 \| 79 79 dd 1H J 20 88 \| 68 68 d 1H J 88 \| 58 58 s 2H \| 44 43 q 2H J 67 \| 26 26 s 3H \| 14 14 t 4H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cnc(Cc2ccc(Cl)cc2)[nH]1	ir: 4 5 2 4 3 4 10 6 4 5 5 6 4 4 3 2 4 2 3 2 1 1 1 1 1 1 1 2 4 3 3 2 1 3 3 1 2 6 26 93 8 2 1 2 3 2 3 5 5 5 6 12 14 14 15 19 17 9 4 3 2 4 3 5 3 2 6 3 4 5 2 3 6 5 3 6 12 9 3 3 4 3 12 11 13 10 8 7 13 12 11 11 13 11 15 27 13 8 4 5 3 3 5 3 7 4 58 31 14 6 7 4 3 16 17 11 11 10 6 9 9 15 19 13 17 12 7 8 12 16 13 11 16 7 4 3 3 1 2 2 4 1 3 10 22 8 35 23 11 8 12 4 9 3 3 2 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 2 2 2 4 5 3 2 4 4 7 10 6 3 5 8 12 18 42 35 54 100 41 36 27 7 7 3 5 4 8 13 15 10 9 8 6 6 5 4 3 22 7 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 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 0 1 1 1 0 1 1 1 0; 1HNMR: 82 82 s 1H \| 73 73 s 1H \| 73 73 s 4H \| 43 42 q 2H J 64 \| 39 39 s 2H \| 14 13 t 4H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(CC(C)NCC(O)c2cccc(C(F)(F)F)c2)c(Cl)c1	ir: 3 9 8 4 5 11 6 9 9 8 5 3 2 3 5 6 9 6 4 3 17 3 5 2 2 1 1 4 5 2 3 8 15 4 5 5 2 3 2 4 7 9 5 12 10 10 16 38 6 2 2 3 2 2 12 22 2 2 1 1 2 1 1 3 1 2 3 5 5 4 2 4 2 3 3 9 3 1 3 5 9 5 3 1 2 6 5 25 19 4 12 13 4 1 4 8 1 3 11 3 3 1 1 0 3 1 3 10 12 8 4 8 39 12 8 9 33 10 7 7 3 2 1 8 11 11 2 2 6 4 9 2 1 1 1 3 4 1 1 2 14 11 14 10 11 1 1 2 1 1 1 9 8 4 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 3 1 0 1 1 1 3 4 7 5 4 31 15 6 3 4 2 4 78 100 5 3 1 1 1 1 2 1 2 4 11 41 8 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 d 1H J 21 \| 78 78 dd 1H J 22 86 \| 77 76 dt 1H J 12 24 \| 76 75 ddd 1H J 13 22 103 \| 75 74 dd 1H J 77 104 \| 74 73 ddt 1H J 9 21 77 \| 72 71 dt 1H J 9 86 \| 57 57 d 1H J 49 \| 46 45 dt 1H J 43 51 \| 41 40 dt 1H J 64 75 \| 39 39 s 2H \| 32 31 dh 1H J 57 77 \| 30 29 m 2H \| 28 27 m 2H \| 11 11 d 3H J 57	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCNC(=O)/C=C\C(=O)O	ir: 1 0 0 0 1 0 0 1 1 0 0 2 3 2 1 1 1 1 1 1 2 3 20 11 2 1 1 1 1 2 1 1 3 6 10 3 2 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 3 3 4 1 1 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 5 1 6 0 0 1 0 0 1 1 1 0 1 1 0 1 1 0 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 4 2 1 1 1 1 0 0 0 1 0 0 0 1 0 1 1 1 0 0 1 1 0 0 1 1 3 1 13 2 8 2 2 1 0 0 1 1 0 0 1 0 0 0 1 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 1 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 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 1 3 1 5 2 2 1 0 1 1 1 1 1 7 36 100 5 1 1 1 0 0 1 1 0 0 1 1 1 1 2 2 8 5 2 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 t 1H J 56 \| 62 62 d 1H J 112 \| 62 61 d 1H J 112 \| 59 58 m 1H \| 53 52 dq 1H J 11 164 \| 51 51 dtd 1H J 7 15 108 \| 40 39 tt 2H J 14 53	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)C1CCC(OS(C)(=O)=O)CC1	ir: 3 8 5 10 6 18 13 12 6 5 13 18 5 8 2 3 1 3 3 1 1 1 1 3 2 1 1 2 1 1 1 1 1 2 8 10 3 1 1 3 1 2 2 3 1 1 1 6 6 1 3 4 2 1 4 2 2 4 7 4 2 3 2 3 5 1 2 4 2 1 15 100 56 18 12 10 5 5 7 5 2 1 2 1 2 1 10 16 31 12 9 4 3 2 1 1 3 3 7 6 12 19 12 9 5 6 3 3 4 7 19 10 24 14 1 5 3 14 13 5 7 18 5 8 4 3 2 5 7 5 11 8 6 5 3 2 2 0 1 1 1 1 1 1 4 7 13 55 3 1 1 1 1 0 0 0 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 3 2 5 4 3 3 2 2 4 2 3 4 2 5 11 16 55 31 26 6 5 4 6 1 1 2 1 1 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 47 47 p 1H J 59 \| 31 30 s 3H \| 24 23 p 1H J 62 \| 21 20 ddt 2H J 61 88 132 \| 19 18 ddt 2H J 60 88 128 \| 18 17 ddt 2H J 62 89 132 \| 16 15 ddt 2H J 60 86 128 \| 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@H](C)Nc1cc(Cl)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1	ir: 1 2 2 2 1 4 8 3 5 4 4 1 2 3 1 9 13 21 7 1 6 6 2 1 1 4 9 4 1 2 1 1 1 4 5 23 12 7 3 3 2 2 3 1 1 1 1 1 1 1 1 2 1 2 13 100 25 12 4 2 3 1 2 2 10 8 14 6 11 7 6 2 2 2 2 1 2 2 2 3 1 3 1 1 1 1 4 1 1 1 1 1 1 4 1 2 10 2 1 1 1 2 1 1 1 1 2 3 2 7 0 5 0 1 2 2 3 5 2 2 3 9 2 7 5 2 2 8 7 5 3 2 1 1 1 1 1 1 1 1 1 2 2 3 33 16 49 29 48 1 9 8 3 3 2 4 2 0 2 6 2 2 1 12 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 2 1 3 1 2 2 4 11 14 43 24 6 4 2 1 2 1 1 1 1 1 1 1 1 1 1 0 0 1 2 1 1 2 4 20 46 9 4 2 3 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 m 2H \| 74 74 d 1H J 22 \| 72 72 tt 2H J 16 88 \| 71 70 dq 4H J 16 90 \| 65 65 d 1H J 22 \| 58 57 d 1H J 79 \| 45 44 dq 1H J 66 81 \| 37 37 s 2H \| 14 14 d 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2nc(Cc3ccc(F)cc3)ncc2CO)cc1	ir: 0 2 3 2 2 3 4 4 1 5 2 12 2 1 1 1 4 2 5 2 0 1 1 1 1 1 1 1 1 3 3 2 7 3 2 2 15 10 8 5 3 4 8 15 13 5 2 2 3 5 3 2 8 46 39 35 15 3 2 4 1 0 1 2 1 0 1 2 5 8 2 1 1 1 1 1 1 2 1 1 2 2 2 5 7 18 16 17 8 25 11 9 7 7 8 7 11 5 9 2 1 2 1 1 2 2 2 1 1 1 7 2 1 1 1 1 1 1 2 3 1 3 2 5 4 4 6 5 12 6 2 10 22 11 3 1 2 0 1 1 1 2 14 41 62 10 6 19 8 15 5 1 10 1 1 1 2 100 1 0 0 2 5 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 2 4 4 1 3 3 4 2 3 4 3 5 4 6 13 8 42 33 14 8 8 6 8 14 52 99 43 19 7 3 5 2 2 2 3 3 3 2 3 1 1 3 3 2 2 3 2 4 2 2 2 2 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 87 t 1H J 9 \| 77 76 m 2H \| 74 73 m 4H \| 71 70 m 2H \| 47 46 dd 2H J 9 66 \| 43 42 t 2H J 8 \| 41 40 t 1H J 66 \| 24 23 d 3H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cc1cccc(CC(=O)O)c1	ir: 1 3 3 4 1 2 5 4 1 7 2 7 18 7 5 1 1 4 5 8 18 66 47 11 7 8 3 2 2 2 2 3 5 6 2 2 1 1 0 1 3 3 4 2 5 7 3 8 6 2 2 2 1 1 1 2 1 1 1 1 0 0 1 4 2 2 8 32 11 3 1 1 1 1 4 3 4 20 85 55 8 4 2 2 0 3 3 9 3 5 4 5 4 1 2 1 3 2 1 4 1 10 11 14 4 1 1 1 0 1 0 1 0 1 1 1 0 1 3 8 7 11 10 6 4 3 4 6 11 8 5 2 2 1 1 1 1 1 1 5 24 35 13 82 100 39 10 4 1 1 1 0 4 1 3 3 1 1 1 0 2 2 0 0 0 1 0 0 0 0 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 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 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 1 0 1 1 1 1 1 1 1 1 1 1 1 5 1 1 1 1 1 3 11 11 5 13 23 15 6 1 2 1 2 1 3 13 26 5 2 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; 1HNMR: 72 72 m 4H \| 42 41 q 2H J 66 \| 36 36 t 2H J 7 \| 36 35 d 2H J 8 \| 13 12 t 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(N2CCNCC2)ccc1Nc1nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c2c1C(N)=O	ir: 3 3 3 3 2 3 3 2 2 3 3 3 3 4 3 14 2 5 3 5 3 4 4 3 3 3 3 3 3 4 3 4 3 3 3 3 3 3 3 2 3 5 5 4 3 5 12 7 4 9 3 4 4 5 18 7 5 3 3 4 3 3 2 4 4 3 2 2 3 3 3 2 3 3 3 2 2 3 3 3 2 2 3 2 2 3 4 3 3 3 3 3 3 4 3 3 3 3 5 3 3 3 3 5 3 3 3 3 5 12 4 3 3 3 5 6 4 3 2 3 3 3 3 3 3 3 3 7 3 6 3 3 2 3 2 3 11 5 4 4 3 3 2 3 3 3 3 3 4 3 3 2 7 3 3 4 5 10 5 6 3 100 4 0 2 4 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 2 2 3 3 3 3 5 7 3 3 3 3 3 2 2 2 2 2 2 2 2 3 3 3 5 5 4 8 4 7 7 4 12 11 4 3 4 4 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 90 90 s 1H \| 83 82 d 1H J 62 \| 77 77 s 2H \| 73 73 m 2H \| 72 71 dd 1H J 76 87 \| 70 69 d 1H J 87 \| 68 68 dd 1H J 21 87 \| 67 67 m 1H \| 45 44 s 2H \| 33 33 m 5H \| 30 29 m 5H \| 22 22 s 3H \| 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.
CCc1nn(Cc2cc(C)n(C)n2)c2cccc(N)c12	ir: 2 2 3 2 1 2 2 1 2 4 2 2 2 1 1 3 4 4 3 2 1 2 2 4 2 2 2 3 2 2 1 2 1 1 1 1 1 1 3 1 1 1 1 1 1 1 2 5 9 1 2 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 3 2 1 2 4 1 2 5 1 1 1 1 1 3 3 1 1 1 1 1 1 1 3 3 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 4 2 1 3 2 1 2 1 1 1 2 3 1 2 3 2 2 4 3 3 2 7 1 1 1 1 2 2 1 1 1 1 6 2 5 2 2 2 2 2 4 8 3 2 13 3 10 1 2 5 10 17 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 3 4 4 5 3 2 7 7 18 2 1 1 1 1 0 1 1 1 0 1 1 1 0 2 8 13 2 1 1 1 1 1 2 0 1 5 10 100 5 0 1 2 1 0 0 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; 1HNMR: 76 76 dd 1H J 13 77 \| 73 72 t 1H J 75 \| 67 67 dd 1H J 11 73 \| 61 61 s 1H \| 56 55 d 2H J 9 \| 54 53 s 2H \| 37 37 s 3H \| 28 28 q 2H J 68 \| 22 22 s 3H \| 14 13 t 3H J 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Br)ccc1OCC(=O)N(C)C	ir: 2 1 3 4 9 3 2 1 1 1 1 2 2 2 4 5 7 3 3 2 2 1 0 2 1 7 1 1 1 9 6 1 3 2 1 2 3 3 2 2 2 2 1 2 1 1 0 1 1 0 1 1 4 7 10 3 3 2 2 0 3 1 1 2 4 1 10 6 9 5 3 3 1 1 1 1 1 1 0 1 1 4 2 7 3 0 1 2 1 1 0 1 3 2 0 1 1 2 1 2 2 1 1 0 0 0 0 1 1 1 3 3 1 1 1 1 1 1 1 2 3 2 4 4 6 2 4 8 3 3 3 4 3 4 5 1 1 1 1 1 1 1 4 2 1 2 10 100 9 8 1 1 7 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 2 2 0 1 1 1 1 1 2 9 5 10 34 31 8 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 m 1H \| 71 71 d 1H J 87 \| 70 69 dd 1H J 21 87 \| 47 47 s 2H \| 30 29 s 6H \| 23 22 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1nc(C2CC2)ccc1Nc1cccnc1	ir: 4 14 60 13 10 4 4 3 2 3 5 7 6 2 2 1 1 2 2 2 1 2 4 3 3 2 6 11 20 23 16 10 14 100 48 29 16 19 21 14 14 10 27 17 6 1 5 7 2 2 5 10 12 9 29 82 10 9 12 4 2 1 3 12 23 3 2 2 2 10 13 1 2 3 3 1 2 3 7 3 8 21 3 3 4 6 2 1 4 1 1 1 2 2 4 2 2 2 5 1 1 2 1 1 1 2 3 3 2 4 20 10 49 10 7 15 4 4 2 4 2 4 7 17 28 14 0 4 4 3 1 3 4 4 36 27 12 4 26 90 21 7 1 4 6 7 11 7 10 13 15 42 39 17 56 21 3 4 5 3 1 2 7 4 15 2 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 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 0 1 1 3 1 2 7 6 3 7 8 12 72 16 12 9 6 4 4 3 2 1 2 1 1 1 2 1 3 4 2 4 9 8 20 52 64 37 12 6 9 4 4 2 1 2 1 2 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 94 94 s 1H \| 83 82 m 2H \| 78 78 d 1H J 86 \| 74 73 m 2H \| 72 72 dt 1H J 21 77 \| 44 43 q 2H J 64 \| 22 22 pd 1H J 7 57 \| 15 14 dddd 2H J 7 57 71 99 \| 14 13 t 3H J 64 \| 12 11 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCNCc1nc(-c2ncn3c2[C@@H]2CCN2C(=O)c2cc(F)ccc2-3)no1	ir: 3 3 10 5 5 8 7 2 4 4 4 3 12 5 5 21 6 28 4 2 1 4 20 3 7 10 31 2 2 6 2 2 2 3 9 6 1 5 4 2 5 12 16 27 8 3 3 3 4 58 8 14 15 14 15 18 3 3 8 13 4 2 2 1 4 7 53 10 18 5 3 5 9 2 4 2 1 2 2 1 2 4 4 3 3 2 11 1 2 1 1 3 2 8 2 4 4 12 14 7 6 26 6 3 4 3 7 31 19 13 1 30 100 15 23 26 21 8 4 6 10 6 8 10 21 21 22 17 25 14 8 10 13 50 14 2 2 2 7 14 12 36 2 3 1 2 3 8 43 2 23 5 4 3 5 4 3 6 8 1 1 1 1 1 1 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 1 1 1 1 1 1 3 1 1 4 9 2 1 4 7 5 9 8 17 44 12 4 3 2 2 1 1 0 1 1 1 1 1 1 1 1 6 20 12 100 13 7 2 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; 1HNMR: 86 86 s 1H \| 79 79 dd 1H J 46 81 \| 77 76 dd 1H J 27 121 \| 73 72 m 1H \| 54 54 td 1H J 9 69 \| 43 43 d 2H J 49 \| 41 40 dt 1H J 73 110 \| 39 38 dtd 1H J 11 74 110 \| 33 32 p 1H J 51 \| 28 27 q 2H J 50 \| 26 25 dq 1H J 73 108 \| 23 22 m 1H \| 16 15 qt 2H J 49 73 \| 10 9 t 3H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)O/C(=C2/C(=O)Nc3cc(F)ccc32)C=C1c1ccc(C(=O)O)cc1	ir: 8 8 3 3 7 6 3 5 0 6 18 38 32 4 1 6 14 13 15 24 40 62 100 26 12 16 14 14 28 23 9 19 3 2 2 3 20 5 3 3 3 1 1 2 2 1 1 1 2 2 2 4 3 5 16 37 33 13 8 6 2 1 2 4 2 2 5 18 13 17 11 6 3 2 6 24 25 15 23 27 27 5 2 2 3 2 4 9 7 6 20 4 1 1 2 1 3 3 5 8 25 5 3 1 1 15 3 2 2 3 6 2 3 2 4 17 6 7 5 5 3 7 8 6 5 8 5 5 5 5 5 3 1 3 19 4 1 2 3 4 6 16 37 20 9 6 6 2 2 3 15 19 7 9 3 2 2 6 18 66 7 91 5 5 2 3 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 2 1 1 2 4 2 1 1 2 2 0 2 3 2 4 4 9 20 8 18 94 46 16 5 1 2 5 1 2 4 28 4 2 3 2 1 1 2 2 6 3 3 3 6 47 23 20 5 3 2 4 2 2 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 78 m 2H \| 78 77 dd 1H J 51 83 \| 76 75 dd 1H J 21 121 \| 73 72 m 2H \| 71 70 ddd 1H J 22 84 103 \| 70 69 s 1H \| 15 15 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOCCn1ccnc1C=O	ir: 3 3 4 2 1 2 3 6 2 2 2 1 1 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 3 2 1 1 3 6 8 3 3 7 28 7 4 11 6 4 4 3 2 3 2 3 3 3 2 2 1 2 2 2 3 6 3 3 6 4 13 8 7 16 27 7 1 5 5 7 1 3 4 3 15 6 8 4 7 4 3 2 3 5 11 9 2 5 7 11 18 6 4 7 17 13 15 1 25 5 2 9 6 5 6 9 11 6 6 4 4 4 7 5 4 4 6 16 11 5 4 8 6 3 2 2 7 4 2 5 4 3 1 1 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 3 1 5 5 5 5 4 4 5 2 4 3 8 14 34 25 25 16 47 100 21 8 2 0 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 97 97 s 1H \| 74 73 s 2H \| 43 42 t 2H J 40 \| 38 38 t 2H J 40 \| 37 36 m 2H \| 36 35 m 2H \| 34 34 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N=C(NO)c1ccc(NC(=O)c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)nc1	ir: 1 3 4 7 6 6 6 12 14 13 21 11 34 20 12 8 11 8 7 4 1 3 5 5 3 6 2 4 3 4 5 3 4 4 5 6 6 5 2 7 25 12 45 11 5 4 2 2 1 2 1 1 1 3 15 4 2 2 1 0 2 1 1 1 3 5 4 8 7 4 7 13 3 2 1 1 2 1 3 4 14 9 6 1 2 1 2 1 3 6 1 2 4 4 3 13 46 15 5 1 1 1 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 2 1 4 3 5 5 3 2 1 3 6 19 18 11 32 15 27 3 4 18 7 4 7 27 12 2 1 1 1 1 2 8 31 8 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 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 4 10 13 100 20 6 3 3 3 3 18 51 11 8 2 1 2 3 2 5 32 9 2 2 4 6 12 20 81 17 10 3 2 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 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 92 92 d 1H J 24 \| 92 92 s 1H \| 86 86 d 1H J 19 \| 79 78 dd 1H J 20 79 \| 76 76 d 1H J 80 \| 74 73 m 8H \| 73 73 m 2H \| 72 72 s 1H \| 72 71 d 2H J 24 \| 68 68 d 1H J 24 \| 67 67 t 1H J 22 \| 50 50 t 4H J 9	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)[C@@]1(C(=O)O)CC(=O)C(NC(=O)c2ccccc2)N1C(=O)CCCCCc1ccccc1	ir: 2 1 1 2 1 2 1 2 1 1 1 2 2 4 4 2 4 6 4 4 3 6 6 17 34 31 9 5 5 4 4 4 5 10 10 4 9 20 4 6 11 2 3 3 3 2 3 2 2 2 6 5 2 2 2 3 1 0 1 3 7 1 1 2 1 1 1 2 3 1 2 2 3 1 2 2 1 2 16 28 8 4 1 1 1 1 1 1 2 5 2 2 2 2 2 2 2 2 1 1 1 2 1 2 2 3 2 2 5 6 3 1 1 3 4 5 12 8 14 6 6 5 4 5 4 3 2 3 3 4 2 2 5 10 11 13 3 2 2 3 2 20 62 15 24 16 14 18 2 1 1 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 0 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 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 0 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 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 1 2 2 3 3 5 5 6 9 15 23 12 5 2 1 1 3 2 0 41 100 18 3 1 0 1 1 1 0 1 1 1 1 1 6 12 7 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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; 1HNMR: 99 99 s 1H \| 81 80 d 1H J 73 \| 78 78 m 2H \| 75 75 m 1H \| 75 74 m 2H \| 73 72 m 3H \| 72 71 ddt 2H J 9 17 77 \| 62 61 d 1H J 73 \| 31 30 d 1H J 168 \| 29 28 dd 1H J 18 168 \| 27 26 tt 2H J 9 81 \| 24 23 m 2H \| 23 22 heptd 1H J 18 71 \| 17 15 m 4H \| 15 14 m 2H \| 10 10 dd 6H J 71 196	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCn1ccnc1S	ir: 2 5 4 3 4 3 5 2 2 2 4 2 1 3 4 4 9 7 5 1 0 3 3 2 2 4 4 1 1 3 3 1 1 4 3 1 2 4 8 10 11 6 8 4 3 5 5 4 4 3 2 1 2 3 2 1 2 4 2 2 2 3 4 7 9 7 2 10 7 8 4 8 6 6 19 7 8 8 4 2 3 3 20 45 13 4 2 3 6 3 1 2 4 3 2 4 4 32 7 36 15 20 8 10 6 5 2 5 6 4 11 30 44 18 16 22 15 33 13 31 33 31 44 32 37 12 6 14 8 5 1 7 6 4 2 5 5 3 2 7 5 10 5 15 18 7 9 6 5 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 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 3 3 3 1 2 3 1 1 2 3 1 1 3 3 2 2 3 3 1 1 3 3 2 1 3 3 1 1 4 3 2 6 6 7 5 4 8 13 16 5 17 10 5 11 16 31 44 70 41 50 100 62 28 23 29 4 6 2 1 3 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3; 1HNMR: 71 71 dt 1H J 9 32 \| 71 70 d 1H J 31 \| 44 43 td 2H J 8 61 \| 38 37 s 3H \| 28 27 t 2H J 61 \| 23 23 s 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(O)c(C(C)(C)C)c1	ir: 3 4 3 8 7 3 1 2 1 2 2 2 2 1 1 1 2 2 2 2 2 2 2 10 4 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 5 2 1 1 1 1 1 4 3 1 1 2 3 3 2 1 1 1 1 2 3 2 4 8 4 2 2 2 3 11 2 2 2 1 1 2 3 4 1 1 1 1 2 1 1 1 1 2 3 1 2 2 9 2 1 1 1 1 1 1 2 11 4 5 3 1 2 2 1 1 1 2 2 2 2 1 2 3 2 2 1 1 1 1 1 1 1 5 17 3 3 5 1 1 1 1 1 5 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 4 7 3 3 18 7 1 2 3 1 1 4 100 6 4 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; 1HNMR: 80 80 d 1H J 21 \| 78 77 dd 1H J 22 82 \| 68 68 d 1H J 82 \| 45 45 s 1H \| 39 39 s 3H \| 14 14 s 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(N(C)CC2CCOCC2)c2sc(NC(=O)c3ccc(F)cc3)nc12	ir: 0 3 6 5 2 9 8 7 4 4 5 4 3 6 13 6 3 6 9 18 6 5 5 1 1 5 5 8 5 4 5 1 2 4 3 7 6 9 7 3 8 8 6 3 10 10 35 73 57 11 8 6 16 14 60 63 29 16 15 4 6 10 7 3 7 9 13 8 7 12 8 3 5 11 18 2 11 10 3 3 5 11 37 2 4 3 5 5 15 6 4 3 23 25 4 4 9 6 7 7 7 9 5 4 6 4 5 6 9 12 6 5 11 6 4 4 5 4 4 4 7 6 1 4 7 7 1 5 9 3 1 18 23 6 23 4 4 1 2 6 6 1 9 100 25 32 29 77 82 6 31 49 4 6 27 4 4 3 3 3 5 3 16 7 3 1 3 3 3 2 2 3 2 1 2 4 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 3 4 2 2 5 5 3 3 4 4 3 4 7 6 9 21 28 22 99 43 16 7 6 4 4 3 2 3 4 2 1 3 3 2 2 4 4 2 5 6 4 6 70 27 4 3 2 3 3 1 2 3 3 1 2 3 2 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 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; 1HNMR: 80 79 m 2H \| 74 73 m 2H \| 71 70 d 1H J 88 \| 69 69 d 1H J 90 \| 40 39 s 3H \| 37 37 m 2H \| 35 35 m 2H \| 32 31 m 2H \| 30 30 s 3H \| 19 18 m 4H \| 17 16 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(OCCBr)c(F)c1	ir: 1 0 0 0 1 1 0 0 1 1 1 2 1 1 0 1 2 2 2 1 1 0 0 1 1 0 1 1 1 2 1 2 1 1 3 2 1 1 2 4 4 9 4 5 1 1 0 0 0 1 1 2 34 48 49 28 7 3 4 5 1 1 2 4 4 7 9 11 19 12 6 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 8 6 1 1 1 0 0 2 2 1 4 3 5 13 29 2 1 10 2 1 1 1 1 1 1 1 2 4 8 3 6 6 2 3 3 2 3 4 4 5 2 2 1 1 0 0 0 0 0 0 1 1 1 2 2 8 4 1 1 1 2 13 22 5 12 8 14 2 1 1 1 1 1 8 3 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 1 1 1 1 1 2 2 3 4 5 4 6 2 1 3 3 2 9 9 17 85 100 68 47 2 2 2 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 69 68 m 3H \| 44 43 t 2H J 35 \| 37 37 t 2H J 35	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](CN(C)C)NC(=O)OC(C)(C)C	ir: 5 5 1 2 2 1 1 1 2 6 5 3 1 3 11 2 1 1 0 0 0 0 1 1 2 1 8 2 6 28 2 3 4 2 5 7 3 4 1 1 1 0 0 1 1 4 1 0 0 0 1 1 1 2 1 1 1 1 0 1 1 1 3 1 4 4 2 5 1 1 1 1 3 1 1 1 1 1 1 2 0 0 1 1 1 2 2 2 4 1 1 2 3 2 1 1 2 3 3 2 2 1 1 1 1 1 2 1 1 1 3 2 5 4 3 4 2 1 4 5 5 5 8 2 1 3 3 2 4 5 6 5 2 1 1 1 1 1 1 0 0 2 3 7 92 13 1 3 6 31 22 1 2 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 1 0 1 2 3 4 5 8 9 1 1 1 1 1 1 0 0 0 1 0 1 2 2 0 1 0 1 0 0 0 1 1 3 6 20 100 18 5 2 2 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 52 52 d 1H J 73 \| 37 37 dqt 1H J 43 59 73 \| 27 27 dd 1H J 44 115 \| 25 24 dd 1H J 43 116 \| 22 22 s 5H \| 14 14 s 8H \| 12 12 d 4H J 59	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)NC1CCC(OC(=O)C2CC3C=CC2C3)CC1	ir: 5 6 31 22 9 7 8 9 11 5 5 5 5 6 4 4 6 5 3 4 4 4 5 6 6 10 12 10 4 5 4 6 9 7 5 5 5 5 4 6 4 4 4 6 5 5 21 21 8 8 7 4 5 9 12 16 14 12 10 32 11 10 7 7 17 5 4 6 5 13 19 66 37 8 14 8 8 6 9 8 6 4 6 5 3 4 7 16 26 9 4 7 5 5 4 6 6 6 11 9 6 9 21 32 32 32 25 20 13 9 28 16 14 15 16 19 5 7 10 6 9 9 8 11 9 8 7 7 7 10 12 4 4 6 10 9 6 11 13 9 4 6 7 0 11 100 5 10 6 3 18 7 4 3 4 5 4 4 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 3 4 4 4 4 4 4 3 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 4 4 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 6 5 5 5 5 5 7 7 5 5 10 12 13 16 25 17 22 13 5 5 5 8 5 4 4 4 4 3 4 4 3 3 4 5 4 3 7 12 86 81 7 6 5 4 4 4 4 4 4 4 4 3 3 4 3 3 4 3 3 3 4 4 3 3 4 3 3 3 4 4 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3; 1HNMR: 61 61 ddtt 1H J 9 17 53 62 \| 60 60 dddq 1H J 9 18 46 74 \| 48 47 m 1H \| 43 43 d 1H J 93 \| 34 33 m 1H \| 33 32 dq 1H J 54 95 \| 30 30 s 2H \| 30 29 hdd 1H J 10 18 46 \| 26 26 dtd 1H J 17 56 72 \| 22 21 m 1H \| 19 17 m 7H \| 16 15 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(OC(F)F)c(C2CC(=O)C=C(O)C2)c(C)c1Cl	ir: 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 2 2 2 3 2 1 1 4 4 1 1 1 1 2 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 4 1 1 2 1 1 3 1 16 9 2 2 1 6 9 7 2 2 2 3 3 4 4 15 4 11 13 14 4 6 7 3 9 24 3 1 1 0 1 2 1 0 1 2 3 2 1 1 2 1 1 3 2 3 4 1 5 2 2 2 1 1 2 4 7 2 3 4 3 4 3 2 2 2 1 1 1 2 3 2 2 1 2 2 1 1 3 3 10 2 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 2 3 3 100 1 2 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 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 2 1 1 2 4 3 3 14 14 13 8 11 9 2 1 0 1 1 1 62 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 68 68 s 1H \| 67 67 s 0H \| 57 56 p 1H J 9 \| 34 33 p 1H J 72 \| 29 28 ddt 2H J 9 72 150 \| 27 26 dddd 3H J 9 71 154 164 \| 23 23 s 3H \| 23 22 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc32)cc1O	ir: 4 4 2 7 7 13 4 8 11 12 7 16 9 10 5 7 5 5 4 5 4 7 6 5 3 6 9 14 18 16 15 7 4 11 3 5 6 3 5 5 4 5 3 4 3 3 4 3 6 4 4 5 8 26 33 18 100 15 3 0 2 5 3 6 20 22 4 8 5 5 2 4 3 6 5 5 6 4 4 9 5 4 6 34 8 6 4 14 5 3 2 1 1 2 1 1 3 3 3 3 2 2 2 2 2 4 8 5 2 2 1 2 2 1 3 3 2 2 4 7 3 3 2 4 7 10 6 2 2 2 2 2 3 3 8 7 16 9 12 7 9 17 9 6 18 14 10 23 8 3 3 24 9 8 12 10 39 16 8 3 13 25 29 6 2 3 2 9 28 3 3 3 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 4 4 3 7 10 12 12 3 2 2 1 9 24 10 6 4 2 2 2 2 2 3 5 49 11 5 7 14 16 90 11 8 5 8 32 88 9 5 4 2 2 3 2 3 1 2 2 2 1 1 1 1 1 1 2 2 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; 1HNMR: 85 84 s 1H \| 83 83 dt 1H J 52 71 \| 81 80 s 1H \| 80 79 d 1H J 81 \| 79 78 d 1H J 21 \| 78 77 dd 1H J 22 81 \| 77 77 dt 1H J 9 72 \| 68 68 t 1H J 9 \| 49 49 s 2H \| 45 45 dt 2H J 9 53	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C(=O)[C@H](CS(C)(=O)=O)NC1=NC(=O)SC1	ir: 16 8 8 3 3 5 2 4 2 2 3 9 7 6 6 2 3 2 3 1 2 1 1 1 2 2 1 1 1 0 1 1 2 0 1 3 3 1 2 1 1 2 3 2 1 0 1 1 1 1 1 1 4 1 1 1 1 1 2 2 1 1 1 1 0 0 1 1 1 2 3 0 2 2 1 1 2 1 0 0 1 2 1 0 1 3 5 5 11 2 1 2 2 1 1 1 1 1 1 1 5 7 10 14 3 6 15 4 0 1 5 1 1 2 2 1 1 2 1 3 1 6 5 2 9 6 2 3 2 1 3 2 2 7 5 1 1 1 1 1 3 5 5 16 7 12 100 16 3 5 2 0 0 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 1 9 3 1 0 1 4 5 2 1 1 1 1 4 6 23 10 3 2 2 1 1 1 0 0 0 0 0 0 0 1 1 0 2 3 1 1 1 1 1 2 6 11 12 9 2 0 2 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 94 d 1H J 84 \| 49 48 q 1H J 83 \| 39 38 m 2H \| 35 34 dd 1H J 83 147 \| 33 32 dd 1H J 82 148 \| 31 30 s 3H \| 29 29 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCN(N=Cc1ccc(OCc2ccccc2)cc1)C(C)=O	ir: 4 4 4 4 2 4 4 4 3 2 3 2 6 4 14 4 7 8 17 9 9 7 5 2 5 7 6 10 9 22 13 16 14 8 5 4 4 8 22 18 22 10 3 4 2 5 3 1 4 3 4 3 6 7 14 11 14 7 4 3 2 6 4 5 4 9 5 3 14 25 34 6 2 3 5 2 4 4 2 2 2 2 1 1 2 2 6 4 7 5 5 2 4 3 0 1 4 3 10 4 5 6 7 5 6 7 4 10 13 8 10 6 6 3 16 6 11 6 16 10 11 10 8 14 9 9 27 4 13 22 8 2 4 4 4 9 8 10 5 7 10 5 18 55 100 28 14 4 5 3 13 5 25 6 2 3 11 1 1 2 2 1 1 9 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 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 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 2 1 1 1 2 1 1 2 1 1 1 2 2 1 3 3 3 2 3 3 5 3 2 3 3 2 6 3 3 12 43 44 41 54 16 13 7 3 3 3 5 4 2 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 2 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 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 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 76 75 m 2H \| 75 75 s 1H \| 74 74 ddt 2H J 8 14 66 \| 74 73 m 2H \| 73 73 m 1H \| 70 70 m 2H \| 51 50 t 2H J 9 \| 40 39 t 2H J 68 \| 36 36 s 3H \| 28 27 t 2H J 68 \| 23 22 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccnc(Cl)c1N(C)C(=O)c1cccnc1Oc1cc(Cl)ccc1Cl	ir: 2 1 0 3 3 1 0 1 7 3 2 22 3 2 1 7 8 25 10 5 3 2 1 1 2 4 3 4 16 2 1 2 4 15 1 7 11 22 25 2 9 2 8 6 6 2 2 3 1 4 2 3 2 20 11 1 1 1 9 4 2 7 12 4 1 1 16 4 5 4 2 3 2 6 11 4 2 1 1 2 5 3 2 6 3 2 4 2 2 1 2 2 12 6 3 2 2 1 5 14 5 2 4 2 0 1 2 1 0 1 2 1 0 1 2 2 1 2 4 6 5 4 2 1 1 43 23 4 8 7 12 36 3 2 2 1 1 2 3 5 3 3 5 12 3 5 4 18 6 27 4 4 6 5 25 10 2 51 7 3 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 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 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 3 5 5 8 5 7 100 19 7 8 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 82 82 m 2H \| 81 81 dd 1H J 21 81 \| 74 73 d 1H J 73 \| 73 73 d 1H J 21 \| 72 72 dd 1H J 44 81 \| 71 71 dd 1H J 22 73 \| 71 70 dq 1H J 8 51 \| 34 33 s 3H \| 24 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](C(=O)O)[C@@H](c2ccccc2)C1	ir: 5 5 2 6 3 6 4 5 3 12 21 18 24 65 23 11 17 6 21 100 50 49 8 11 7 6 7 14 13 52 27 79 14 7 4 6 3 4 17 2 16 10 5 2 2 1 2 3 2 2 3 3 1 2 1 2 1 1 1 1 3 1 2 5 2 1 5 16 1 17 12 9 6 10 9 22 10 24 70 28 9 13 17 5 6 4 3 3 1 3 5 4 7 3 2 4 4 19 13 15 5 6 10 5 6 10 10 12 14 10 13 4 5 6 2 6 9 6 17 6 9 8 5 11 4 2 4 5 7 27 12 19 6 8 11 29 16 7 2 2 6 13 8 78 63 32 16 6 51 83 3 0 14 2 1 1 1 1 1 1 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 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 1 0 1 1 1 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 0 1 1 1 1 1 1 1 2 4 2 3 2 1 2 6 2 4 3 4 6 20 29 6 22 82 14 9 4 2 1 1 2 2 13 22 16 8 2 1 1 1 1 1 1 1 1 3 7 24 98 30 4 2 1 1 1 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 73 72 m 6H \| 58 58 d 1H J 90 \| 44 43 dddt 1H J 16 31 71 86 \| 40 39 dd 1H J 26 118 \| 39 38 dd 1H J 33 113 \| 37 36 dddd 2H J 17 47 110 284 \| 35 34 m 1H \| 31 30 dddd 1H J 18 33 51 92 \| 20 19 dq 1H J 70 140 \| 14 14 s 8H \| 10 9 ddd 6H J 15 71 190	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCC1CCN(c2cc(-c3ccc4ccccc4c3)cnn2)CC1)C(F)(F)F	ir: 8 6 10 5 3 5 6 3 3 10 15 22 3 11 13 6 3 7 6 8 8 8 8 5 2 11 11 10 7 14 8 5 9 6 27 22 37 22 19 11 15 15 14 9 8 6 4 4 3 6 3 4 5 29 23 0 17 8 5 6 20 8 7 7 9 11 16 13 14 7 5 2 4 6 7 9 7 12 5 11 29 9 4 4 5 4 5 11 11 7 4 6 4 4 4 6 13 10 44 29 11 16 20 20 53 17 12 17 14 6 7 16 45 7 5 7 9 11 7 9 8 5 8 7 5 5 6 5 6 8 3 5 3 6 9 32 9 4 6 7 3 4 11 17 41 42 75 100 19 3 3 6 24 4 16 11 8 32 11 4 4 1 10 4 3 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 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 2 1 2 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 3 2 3 6 5 4 4 4 4 2 6 6 5 8 20 29 57 61 68 26 13 7 5 3 2 2 2 3 2 2 3 6 4 4 3 3 3 4 9 16 47 49 25 14 6 5 3 3 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 88 87 d 1H J 18 \| 80 79 d 2H J 82 \| 79 79 m 2H \| 78 78 m 1H \| 76 75 m 2H \| 74 73 d 1H J 16 \| 73 73 tq 1H J 17 50 \| 39 38 ddd 2H J 63 89 138 \| 34 33 ddd 2H J 61 90 138 \| 32 31 dd 2H J 38 50 \| 21 20 dddd 2H J 53 63 90 130 \| 18 18 m 1H \| 18 17 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCCCNc1ncccc1Cl	ir: 3 3 3 6 2 6 12 5 7 4 4 3 3 4 3 4 4 9 9 7 4 2 8 6 7 5 9 3 6 4 4 2 3 5 6 1 17 15 61 9 7 15 3 3 4 5 7 7 5 3 3 9 4 2 3 3 5 6 10 2 8 5 14 14 7 2 4 4 6 8 7 10 47 39 38 9 7 6 3 4 9 17 10 10 6 3 3 2 2 2 2 2 3 3 3 3 4 4 4 2 2 2 2 2 2 2 2 2 2 2 3 3 4 3 3 3 3 4 4 4 4 7 10 8 11 8 11 8 6 8 8 5 27 24 90 23 7 26 44 15 9 3 3 5 3 1 2 3 3 14 67 10 3 3 17 44 7 6 3 0 1 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 3 2 3 3 5 4 7 56 7 4 3 3 2 2 2 3 2 2 5 12 10 17 26 25 11 13 8 10 29 100 39 49 39 11 8 3 2 4 4 3 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 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; 1HNMR: 82 82 dd 1H J 20 46 \| 75 75 dd 1H J 21 81 \| 71 71 dd 1H J 46 82 \| 56 56 t 1H J 49 \| 36 35 td 2H J 48 59 \| 30 29 td 2H J 9 61 \| 29 28 m 2H \| 18 18 tt 2H J 48 58	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=O)On1nnc2ccccc2c1=O	ir: 4 6 7 7 3 9 6 5 2 4 5 4 4 4 4 2 4 11 18 10 4 3 3 4 5 6 11 6 3 3 12 24 19 6 5 5 4 4 3 2 3 7 24 42 53 9 23 47 12 6 4 2 3 5 3 1 3 4 3 2 6 5 5 9 11 5 4 2 3 4 4 7 4 3 5 5 5 4 2 2 4 3 5 7 5 3 2 2 4 7 5 4 4 4 3 5 8 4 10 11 4 3 2 8 27 15 2 3 4 7 7 4 5 11 18 17 17 10 4 5 7 7 8 17 4 5 5 30 34 10 5 5 3 4 7 5 3 6 8 42 41 4 3 27 18 11 8 14 17 15 3 4 3 3 6 9 2 75 34 55 7 21 12 6 3 0 2 5 3 0 3 5 2 0 2 4 2 1 3 4 2 1 3 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 1 2 3 3 1 2 3 3 1 2 3 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 3 3 5 4 4 3 7 5 3 5 8 5 5 4 11 6 14 9 16 27 100 28 21 7 4 4 4 3 4 3 4 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 84 84 dd 1H J 14 81 \| 81 81 dd 1H J 13 75 \| 79 78 td 1H J 14 73 \| 76 75 ddd 1H J 13 71 82 \| 26 25 q 2H J 80 \| 12 11 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCNc1cc(N2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12	ir: 11 7 5 5 13 2 14 8 31 6 6 8 19 13 10 11 6 5 11 17 41 39 27 24 14 14 4 5 3 7 3 5 2 3 3 2 2 3 2 1 2 4 100 5 4 4 11 23 6 2 2 0 2 1 6 0 3 6 2 1 15 1 1 2 3 2 1 3 2 6 2 2 12 34 9 12 6 4 13 10 4 2 4 3 5 9 8 2 2 1 2 3 2 2 6 9 8 2 16 8 4 2 1 5 2 3 3 5 1 2 5 12 19 12 6 4 3 6 4 6 20 9 9 23 8 8 3 2 5 2 4 4 6 8 2 3 4 3 4 18 7 10 13 18 22 23 10 6 4 1 1 1 2 7 4 4 16 1 1 7 4 3 10 41 58 3 3 2 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 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 3 3 2 1 1 1 1 2 9 3 7 21 15 24 8 2 1 2 1 5 89 34 5 3 3 2 1 2 1 3 2 1 3 4 17 37 45 7 5 4 3 2 1 1 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 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 92 92 d 1H J 16 \| 85 85 t 1H J 21 \| 81 80 s 1H \| 80 80 dd 1H J 13 77 \| 80 79 m 2H \| 78 77 td 1H J 11 75 \| 76 75 td 1H J 16 85 \| 57 57 s 1H \| 38 37 m 4H \| 36 36 m 4H \| 36 35 q 2H J 52 \| 26 26 t 2H J 51	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCC(CC1CC1)c1ccc(C(F)(F)F)nc1)c1c(F)cccc1F	ir: 7 4 2 6 14 6 3 3 4 2 3 4 3 2 3 10 31 9 11 14 12 37 23 13 5 2 3 6 7 11 35 57 9 5 10 20 13 41 21 8 8 20 32 11 18 6 14 43 38 7 5 11 5 19 50 36 2 3 4 2 2 1 2 3 5 3 4 36 6 4 5 14 10 6 2 5 4 3 2 3 4 5 5 2 3 9 8 21 9 3 3 5 12 8 4 6 8 6 14 19 7 17 28 44 12 9 11 5 16 10 3 2 3 2 2 11 18 2 3 3 7 11 12 22 33 17 2 6 4 7 15 5 7 7 3 6 15 50 10 16 11 7 17 8 4 7 9 79 96 70 95 7 4 10 5 0 38 100 20 11 18 16 3 2 2 3 2 1 1 2 1 0 2 2 1 0 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 1 1 1 2 1 1 1 1 2 1 1 2 2 2 2 7 6 4 2 2 7 13 9 10 25 8 27 95 36 12 17 22 7 4 3 4 2 1 2 5 4 3 2 2 1 2 2 5 11 6 35 77 22 13 10 10 8 7 2 2 1 1 2 2 2 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 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; 1HNMR: 83 83 dd 1H J 7 18 \| 76 74 m 3H \| 74 73 t 1H J 62 \| 72 71 m 2H \| 37 36 ddd 1H J 55 62 132 \| 34 34 dt 1H J 59 132 \| 33 32 ddt 1H J 56 66 75 \| 21 20 dt 1H J 72 144 \| 18 17 dt 1H J 72 142 \| 13 12 tp 1H J 59 70 \| 6 5 m 2H \| 4 3 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc2c(c1)N=C(C1CCCCC1)c1ccccc1S2	ir: 1 1 1 1 1 2 4 1 1 1 1 1 1 1 1 2 2 1 1 2 3 3 1 2 3 1 1 1 1 1 1 1 2 2 2 1 2 2 2 3 10 4 100 72 6 0 0 2 1 1 1 2 1 4 2 2 1 0 1 2 1 1 1 1 1 0 2 3 5 3 1 1 1 1 5 4 1 1 1 1 1 11 2 3 2 5 3 1 1 1 1 1 1 1 1 2 1 1 1 1 0 1 4 1 1 2 2 3 2 6 2 5 7 5 2 2 1 2 5 4 1 1 1 1 2 2 3 1 2 2 2 8 16 2 3 6 12 4 2 3 4 2 2 1 10 9 5 4 11 2 1 1 1 1 3 1 1 1 2 3 8 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 2 3 3 4 2 4 10 6 7 37 43 5 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 dd 1H J 15 72 \| 75 74 tdd 2H J 17 59 73 \| 75 74 td 1H J 13 64 \| 74 73 m 3H \| 73 72 td 1H J 18 72 \| 28 28 p 1H J 57 \| 21 20 ddt 2H J 56 76 125 \| 18 17 dddd 2H J 47 56 78 123 \| 17 16 m 2H \| 16 14 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(OCC)c(-c2ccc(F)cc2)c(C2(C)CC2(F)F)c1	ir: 7 8 7 7 8 7 6 6 6 6 6 7 7 7 6 6 6 6 6 6 6 7 6 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 6 6 6 6 6 6 6 7 6 6 6 6 7 13 16 8 15 9 7 6 7 6 6 6 8 6 6 9 10 8 7 6 7 7 8 9 7 6 6 6 6 6 6 6 6 6 7 6 6 6 6 6 6 6 6 6 7 6 6 6 6 6 6 6 6 6 10 7 7 6 7 6 19 8 9 8 13 9 6 7 9 6 6 7 7 8 8 7 9 6 6 6 9 6 5 7 8 8 7 6 6 5 5 7 8 0 50 6 19 8 6 8 6 6 6 6 6 7 6 6 6 6 6 6 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 6 6 6 6 6 6 7 6 5 6 7 6 6 10 10 13 100 15 6 7 9 8 6 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6; 1HNMR: 79 79 d 1H J 22 \| 75 74 d 1H J 22 \| 74 73 m 2H \| 72 72 ddt 2H J 17 84 99 \| 44 43 q 2H J 64 \| 42 41 q 2H J 63 \| 26 25 dt 1H J 120 139 \| 24 23 dt 1H J 119 141 \| 14 13 m 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(NC(=O)c2ccccc2C(c2ccc(O)cc2)c2ccc(O)cc2)c(OC)c1	ir: 3 3 4 4 4 7 7 9 7 6 2 5 11 4 4 9 7 5 6 5 4 4 4 3 4 2 3 5 4 3 3 4 5 5 5 8 8 4 9 13 13 27 19 17 20 11 5 4 4 9 5 18 9 6 8 0 33 16 7 3 3 4 5 5 3 4 5 11 11 5 4 4 4 5 5 4 4 4 5 21 49 10 13 11 5 7 10 9 14 8 9 20 10 5 5 3 3 3 3 3 2 4 6 3 3 3 7 2 3 3 3 2 2 2 2 3 2 2 3 5 3 5 6 5 3 5 4 6 4 9 2 3 3 3 5 6 16 10 20 4 4 6 9 7 4 2 9 18 36 40 46 14 23 6 13 5 4 4 2 7 5 4 3 2 2 3 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 4 5 4 4 3 5 6 4 3 2 3 2 3 2 4 5 3 4 6 5 9 34 42 33 16 6 3 8 5 14 100 19 5 5 4 3 3 2 3 3 3 2 2 3 3 5 33 16 8 5 4 4 3 4 2 3 2 4 4 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 84 84 s 1H \| 83 83 d 1H J 87 \| 78 77 dd 1H J 15 83 \| 75 75 td 1H J 15 78 \| 74 73 m 2H \| 71 71 s 2H \| 71 70 m 4H \| 69 68 dd 1H J 23 87 \| 68 68 m 4H \| 66 66 d 1H J 23 \| 63 62 d 1H J 13 \| 39 39 s 3H \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCCC(C)(C(=O)OCC)S(C)(=O)=O	ir: 11 14 20 25 38 38 17 11 18 10 8 9 10 4 5 2 4 3 5 4 3 3 3 3 2 2 2 2 2 2 2 2 2 3 9 5 3 6 5 3 2 3 2 3 3 3 2 2 2 4 3 3 5 6 5 6 10 23 19 7 6 6 4 1 3 4 2 0 24 26 15 7 3 4 8 24 18 13 8 6 12 8 5 5 5 16 60 28 5 9 3 3 7 15 6 2 7 4 2 3 5 5 4 8 56 43 42 21 6 4 5 8 8 30 13 23 22 21 23 11 13 23 37 12 4 4 3 5 10 7 10 6 7 3 4 4 4 3 2 3 3 2 2 5 7 100 7 2 1 3 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 5 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 6 20 15 6 4 4 9 5 4 4 5 6 6 16 43 47 16 17 12 6 5 3 2 2 2 2 2 2 2 2 2 2 2 3 23 23 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 43 42 m 2H \| 31 31 s 2H \| 27 26 dtd 1H J 26 74 101 \| 26 25 dtd 1H J 25 74 101 \| 23 22 dt 1H J 74 147 \| 21 20 m 2H \| 15 14 s 2H \| 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.
O=C(c1ccccc1)c1cccc2c1N(C(=O)CBr)CCO2	ir: 3 1 1 1 3 2 1 2 2 2 2 5 8 3 1 2 2 1 1 1 2 1 1 2 1 1 2 2 7 4 11 7 7 4 7 73 7 4 3 4 18 8 4 10 2 5 7 8 6 10 9 1 2 1 1 1 3 2 1 2 1 1 1 1 1 1 1 2 4 11 2 1 1 2 1 1 1 2 11 4 1 2 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 2 3 3 7 2 1 4 4 1 1 1 7 1 1 1 2 1 2 4 11 8 4 3 6 19 5 9 13 5 2 2 1 4 5 5 2 2 8 5 8 13 5 4 22 10 5 5 2 100 28 9 4 0 0 3 2 0 1 3 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 2 2 4 2 2 3 2 3 3 3 12 14 31 43 27 8 4 2 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 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: 78 77 td 3H J 16 75 \| 76 75 ddt 1H J 16 66 85 \| 75 75 ddt 2H J 14 65 82 \| 73 72 dd 1H J 78 85 \| 70 69 dd 1H J 17 85 \| 43 42 dd 2H J 47 59 \| 41 40 dd 2H J 48 59 \| 40 40 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2ccc(SCc3nc(N4CCCC4)nn3C)nn2c1C	ir: 2 2 1 2 2 1 1 2 2 3 5 6 6 6 5 5 10 2 2 2 1 1 1 1 1 1 2 1 1 1 3 6 21 3 4 3 5 6 6 4 8 7 15 7 7 2 3 2 4 5 2 1 1 3 6 26 5 3 1 0 3 3 3 4 5 5 5 8 2 4 3 4 3 2 2 4 2 3 1 2 3 4 5 3 5 5 25 10 25 15 4 3 6 9 65 13 2 10 18 3 2 3 1 3 6 11 24 16 14 25 7 6 21 22 5 14 22 24 15 18 11 10 13 11 33 25 20 24 36 18 14 7 4 2 7 2 1 1 2 1 5 5 2 1 1 1 3 1 1 2 4 0 1 1 1 0 1 1 3 1 1 1 1 2 19 6 1 0 1 1 0 0 1 1 1 1 2 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 0 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 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 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 2 1 2 2 4 7 6 4 7 4 9 12 11 21 11 18 17 24 35 41 100 27 36 11 38 62 17 7 3 3 2 3 2 1 1 2 1 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 d 1H J 79 \| 73 72 d 1H J 81 \| 45 45 s 2H \| 39 39 s 3H \| 38 38 m 5H \| 25 25 s 3H \| 24 23 s 3H \| 20 20 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1	ir: 1 0 0 1 1 1 0 1 1 2 1 2 3 4 9 17 6 6 6 7 3 2 3 1 2 2 1 2 2 7 21 8 40 69 15 9 7 2 2 3 1 1 1 1 1 0 1 2 1 0 2 1 1 1 1 3 1 0 1 1 1 1 2 1 1 0 1 2 2 4 5 3 5 1 1 1 2 4 2 2 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 2 1 1 1 1 2 2 3 5 8 4 8 5 2 2 2 1 2 2 2 1 2 2 4 3 2 2 1 1 1 3 3 2 2 2 2 2 3 1 1 1 1 3 2 8 53 30 35 17 4 3 2 0 0 2 2 5 2 17 100 5 3 6 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 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 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 2 2 1 2 1 1 2 2 2 2 2 5 4 2 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 2 3 28 11 4 4 4 30 17 10 18 15 11 4 0 66 30 4 3 4 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 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 1 0 0 1 0 0 0 1 0 0; 1HNMR: 64 64 d 1H J 92 \| 64 63 s 2H \| 37 36 m 1H \| 24 23 ddddd 1H J 25 38 53 64 79 \| 20 19 ddd 1H J 42 53 143 \| 20 19 s 3H \| 19 18 m 2H \| 18 16 m 2H \| 16 15 ddddd 3H J 24 42 52 92 134	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1C(C)O	ir: 14 16 15 13 13 14 12 12 10 14 12 21 20 13 12 12 10 13 19 14 15 27 18 13 14 15 30 30 35 21 22 14 12 12 17 9 13 12 13 12 21 22 10 11 13 12 15 23 100 82 33 15 19 19 19 30 11 12 11 12 14 12 14 11 12 12 15 30 26 18 13 14 14 14 14 16 12 11 13 11 10 11 18 27 13 19 26 30 26 13 39 44 53 25 24 14 30 40 12 12 12 19 9 15 13 11 11 12 15 32 17 29 17 11 10 11 11 12 19 12 11 11 11 13 12 11 14 13 20 10 10 11 20 17 11 11 10 13 16 14 70 18 12 18 45 28 12 10 11 14 14 16 27 16 11 12 47 81 14 0 78 6 11 12 12 9 11 52 22 9 10 11 10 8 10 11 9 8 10 11 10 9 10 11 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 10 10 10 9 10 10 10 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 10 10 11 9 10 11 10 9 10 11 10 9 11 12 12 14 17 17 25 23 34 16 14 14 11 10 14 19 11 10 11 10 10 10 11 11 10 11 11 12 11 10 13 26 33 42 48 20 19 13 11 10 11 11 10 10 10 10 10 10 10 10 10 10 10 10 9 10 10 10 9 10 10 10 9 10 10 10 9 10 10 10 9 10 10 10 9 10 10 9 9 10 10 9 9 10 10 9 10 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 10 10; 1HNMR: 87 86 m 2H \| 81 81 t 1H J 6 \| 73 73 ddd 1H J 15 38 86 \| 73 72 s 1H \| 72 72 ddd 1H J 15 36 90 \| 72 71 t 1H J 88 \| 52 51 m 1H \| 38 38 s 2H \| 35 35 d 1H J 51 \| 16 15 d 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC(CC)CC1c2ccccc2-c2ccccc21	ir: 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 6 9 8 8 6 8 10 9 0 100 3 8 10 8 5 7 8 7 6 7 8 7 6 7 8 7 6 7 8 7 6 7 8 7 7 7 8 7 7 12 14 8 8 8 7 7 7 7 8 7 7 8 11 9 7 7 7 11 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 9 9 9 7 7 7 7 7 7 7 7 8 8 8 8 7 9 24 17 10 11 8 10 9 8 8 7 7 7 8 8 8 15 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 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 8 8 8 10 11 10 8 36 25 12 9 7 8 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 7 7 7 7 7 7 7 7 7 7 7 7 7; 1HNMR: 78 78 m 2H \| 75 75 m 2H \| 75 74 m 4H \| 38 38 m 1H \| 21 20 ddd 1H J 68 82 135 \| 18 17 ddd 1H J 70 84 136 \| 16 15 m 1H \| 15 11 m 9H \| 9 8 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)c1ccc(Br)cc1S(=O)(=O)NCCc1ccccn1	ir: 3 3 29 16 7 2 1 1 2 1 4 2 4 7 22 3 4 2 0 1 2 4 6 2 2 1 2 2 1 1 0 2 2 3 1 2 3 5 12 7 3 3 14 8 5 4 5 2 3 5 5 5 3 17 28 12 10 3 6 2 2 1 3 5 16 29 6 13 26 33 13 7 15 7 4 2 4 2 7 7 8 5 7 7 7 23 16 4 1 2 5 12 6 9 3 4 4 6 4 2 4 9 37 58 34 26 11 8 1 1 5 4 3 8 4 1 2 3 4 2 2 5 5 5 3 2 2 1 0 2 6 1 7 6 6 19 7 18 3 2 1 2 3 16 0 2 2 3 14 3 2 3 10 6 3 1 25 9 2 2 1 2 1 1 1 1 1 1 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 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 1 0 1 1 1 1 2 1 2 1 2 2 1 2 2 1 1 2 3 4 2 6 29 24 8 4 2 2 1 1 1 1 1 1 1 1 1 1 0 2 1 1 4 28 100 8 3 1 1 2 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 84 84 dd 1H J 17 42 \| 79 78 d 1H J 22 \| 76 75 m 2H \| 72 71 ddd 1H J 15 42 75 \| 71 70 m 2H \| 67 67 t 1H J 74 \| 34 34 dt 2H J 57 74 \| 30 29 td 2H J 9 59 \| 29 29 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2CCCc2ccc(I)cc2)cc1	ir: 3 4 5 2 2 6 5 1 4 4 4 11 2 3 3 10 11 2 1 1 1 1 1 2 4 1 2 2 1 2 1 2 3 2 1 1 1 1 1 1 1 2 1 2 4 4 9 10 3 3 7 10 7 13 34 43 16 31 4 3 2 1 1 2 1 2 8 14 6 4 4 2 1 2 2 4 2 1 5 12 10 6 2 3 6 6 7 2 12 6 9 18 18 8 6 6 1 2 9 5 14 1 2 1 0 1 2 6 1 4 2 3 9 10 13 14 12 8 13 13 13 7 8 14 5 4 4 12 2 11 5 12 11 10 6 2 1 3 2 2 2 3 9 17 5 14 13 4 1 5 6 3 15 7 3 2 1 2 1 0 2 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 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 1 7 3 2 2 6 6 6 2 5 6 5 4 8 18 19 17 53 100 68 10 12 6 4 4 3 1 2 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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: 79 79 m 3H \| 76 76 m 2H \| 75 75 d 1H J 21 \| 74 73 m 4H \| 70 69 dq 2H J 9 77 \| 53 53 q 2H J 9 \| 39 39 s 2H \| 28 27 m 4H \| 20 19 tt 2H J 68 81	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)Oc1cc(C#Cc2ccc(-c3ccc(Cl)cc3)cn2)ccc1OCCN1CCCC1	ir: 5 6 17 6 3 5 5 3 1 2 4 1 3 1 2 4 4 2 5 1 2 3 1 2 1 1 4 1 2 2 2 2 3 9 4 6 2 1 1 1 2 1 4 3 1 5 2 14 6 4 9 2 64 100 35 11 8 1 3 0 3 6 2 1 1 1 6 11 23 9 4 4 1 2 1 2 2 4 13 5 2 1 2 3 5 3 5 11 18 3 3 3 2 16 8 2 6 13 67 54 11 40 30 8 12 6 18 5 5 1 1 4 2 3 1 1 2 2 6 11 7 3 2 2 3 6 7 9 5 1 0 1 1 2 4 37 22 3 1 1 1 3 8 6 4 13 13 8 10 20 20 16 14 15 3 2 4 8 23 2 1 1 1 4 10 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 1 0 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 2 2 1 1 1 3 3 11 9 50 39 41 77 31 8 4 3 3 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 d 1H J 19 \| 80 79 dd 1H J 20 70 \| 76 75 m 2H \| 75 75 d 1H J 69 \| 74 73 m 2H \| 73 73 d 1H J 22 \| 72 72 dd 1H J 20 81 \| 69 69 d 1H J 81 \| 42 41 t 2H J 59 \| 32 31 m 4H \| 30 30 t 2H J 59 \| 20 19 p 4H J 20	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCC(=O)c1c(CC(=O)OC)nn(-c2ccc(F)cc2Cl)c1O	ir: 1 1 1 2 6 2 1 2 2 1 2 3 2 1 0 2 3 1 1 1 1 1 1 1 2 2 1 9 4 6 18 20 8 10 4 1 2 2 2 2 8 7 12 5 13 17 2 3 2 1 3 3 14 5 3 6 2 6 3 1 1 1 4 1 1 9 17 6 1 2 4 3 1 1 1 1 1 2 1 0 1 1 0 2 1 1 1 13 26 23 3 4 0 5 9 7 2 2 1 1 1 1 1 2 4 12 10 5 4 1 2 1 1 1 6 1 0 1 2 2 1 2 1 2 5 2 5 2 1 1 1 0 0 4 3 1 1 2 1 5 7 2 2 3 21 7 4 3 1 9 28 11 5 100 20 2 2 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 2 2 1 1 1 1 1 1 2 5 4 6 25 13 4 3 10 29 55 23 1 3 3 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 dd 1H J 47 85 \| 74 74 dd 1H J 21 121 \| 73 72 m 1H \| 48 48 s 2H \| 39 38 s 2H \| 37 37 s 3H \| 34 34 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(O)(c2ccc3c4c(cccc24)CC3)CC1	ir: 8 10 18 15 21 7 4 7 21 10 6 29 31 10 34 15 5 20 12 7 6 4 3 4 4 4 8 4 3 13 4 3 6 3 2 3 3 3 3 4 2 4 9 4 10 8 8 20 28 4 3 7 10 39 16 43 15 6 5 3 8 5 9 15 5 4 4 4 5 23 5 11 4 17 7 8 6 56 52 13 9 4 5 7 46 47 10 4 12 8 7 4 4 4 14 18 27 30 12 22 6 5 13 10 8 9 23 14 7 4 11 10 0 35 4 3 5 5 4 18 14 14 26 68 13 12 19 14 6 13 19 23 17 7 38 16 9 5 4 5 4 9 5 5 8 12 7 6 5 4 21 52 39 9 5 0 6 13 3 2 2 3 4 5 6 6 3 2 2 3 3 1 2 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 3 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 3 3 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 4 3 3 3 4 4 4 8 4 4 6 10 12 11 6 5 5 5 5 20 47 11 25 36 28 18 20 14 6 6 16 100 11 4 4 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 3 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 80 79 dd 1H J 14 70 \| 74 73 dd 1H J 71 77 \| 73 73 d 1H J 82 \| 73 72 dt 1H J 9 78 \| 72 71 m 1H \| 38 37 ddd 2H J 37 65 126 \| 35 34 ddd 2H J 37 65 126 \| 33 32 m 2H \| 32 32 s 3H \| 29 29 s 1H \| 25 24 ddd 2H J 37 65 135 \| 22 21 ddd 2H J 38 65 134 \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=[N+]([O-])c1ccc(C(Cl)c2cc3ccccc3o2)cc1	ir: 8 2 2 2 1 1 1 1 2 2 2 7 5 6 8 3 4 8 2 2 1 1 1 1 1 2 2 2 2 1 1 2 2 3 4 1 2 2 1 1 2 19 17 46 58 10 11 3 4 1 1 1 4 47 16 18 8 0 1 2 2 1 1 1 1 0 1 1 2 1 4 2 1 1 4 3 2 1 1 1 1 1 2 3 1 1 1 3 2 10 8 16 9 8 2 2 5 7 1 1 1 3 21 3 1 1 1 2 1 1 1 1 1 2 3 1 1 1 1 1 2 2 3 8 15 10 9 3 2 2 2 1 1 1 1 4 12 9 1 1 5 8 5 2 1 1 1 3 14 65 3 7 48 12 4 0 1 1 1 3 6 2 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 3 6 2 4 5 1 4 39 100 33 32 4 4 5 4 2 2 2 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 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; 1HNMR: 82 81 m 2H \| 77 77 m 2H \| 76 75 m 1H \| 75 75 dd 1H J 15 79 \| 73 73 ddd 1H J 14 73 89 \| 72 72 ddd 1H J 10 79 90 \| 69 68 dd 1H J 7 22 \| 60 59 d 1H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)n1ccnc1-c1ccc(Br)cc1	ir: 1 1 1 1 0 1 2 7 3 8 2 1 2 5 2 0 0 1 1 0 0 0 1 0 1 0 11 3 0 1 1 0 1 1 1 0 2 29 3 2 0 1 1 0 0 2 1 0 1 1 2 6 23 1 2 4 30 5 7 8 3 15 14 1 2 1 1 1 1 10 3 1 1 1 1 1 0 1 0 0 1 1 19 2 24 1 4 2 3 2 0 1 1 1 1 1 3 22 4 5 28 5 1 1 1 1 1 2 3 4 0 29 8 3 2 2 6 4 13 19 10 8 6 2 8 1 4 16 9 17 15 9 4 2 1 1 1 0 0 1 1 3 16 1 1 1 1 2 5 8 1 1 10 0 1 1 1 0 0 1 0 0 0 0 2 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 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 0 1 0 0 0 1 0 1 1 1 0 0 1 1 0 0 1 1 1 2 3 4 4 2 1 1 0 1 3 1 1 3 6 8 8 100 11 23 20 18 21 11 4 3 1 3 2 0 0 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 m 2H \| 78 77 m 2H \| 75 75 d 1H J 42 \| 74 74 d 1H J 40 \| 16 16 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCN(CCCC)c1ccc(C=CC2=CC(=CC#N)CC(C)(C)C2)c(OC)c1	ir: 3 6 9 7 2 7 15 17 10 9 13 7 7 12 14 5 9 14 12 11 7 14 19 15 3 9 7 5 4 8 6 2 2 7 6 6 7 21 15 5 9 17 6 1 5 6 8 2 5 8 7 9 11 14 15 14 9 20 8 0 9 12 8 14 41 24 59 56 37 14 26 16 21 12 62 100 79 20 9 4 8 12 5 5 8 37 28 13 13 12 7 7 10 9 5 3 8 8 0 14 39 16 13 13 15 8 2 14 15 10 10 9 12 14 25 13 33 21 12 26 19 13 3 9 16 5 4 16 14 7 3 11 10 4 4 18 14 8 6 12 9 15 19 9 9 4 2 23 9 4 7 14 37 17 36 18 10 5 5 16 76 12 7 19 23 4 7 9 7 17 8 8 4 1 5 8 4 2 5 8 4 2 6 14 5 2 5 8 4 2 6 6 3 2 6 6 2 2 6 6 2 2 6 6 2 3 6 5 2 3 6 5 2 3 6 5 1 3 7 5 1 4 7 4 1 4 7 4 1 4 7 4 1 4 7 3 1 5 7 3 2 4 7 3 2 5 6 3 2 6 6 3 2 5 6 3 2 6 6 2 3 6 6 3 4 6 6 3 3 7 10 6 9 16 13 8 8 12 6 3 8 17 21 33 63 42 75 37 64 36 17 8 10 9 5 3 6 6 4 2 5 6 4 2 5 6 3 3 6 6 3 2 6 5 3 3 6 5 3 3 6 5 2 3 6 5 2 3 6 5 2 4 6 5 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 4 2 4 6 4 2 4 6 4 2 4 6; 1HNMR: 74 74 d 1H J 79 \| 72 71 d 1H J 146 \| 70 69 dq 1H J 10 145 \| 67 66 dd 1H J 22 79 \| 64 64 d 1H J 22 \| 63 63 p 1H J 11 \| 53 53 q 1H J 10 \| 39 38 s 2H \| 32 31 t 4H J 64 \| 24 23 t 2H J 9 \| 23 23 t 2H J 9 \| 16 15 p 4H J 66 \| 14 13 h 4H J 73 \| 10 9 s 2H \| 10 9 s 9H \| 9 9 s 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(CNC(=O)OCc1ccccc1)OCC	ir: 76 16 5 5 3 6 5 8 6 4 3 8 9 4 2 2 2 3 3 8 5 4 6 3 8 11 18 28 31 66 30 7 11 14 8 6 3 8 21 4 10 15 4 4 4 4 3 2 2 6 5 2 3 4 5 2 6 4 3 3 3 4 2 3 4 6 29 3 6 7 4 6 7 8 8 12 27 52 12 3 5 5 2 1 3 2 2 2 7 11 2 2 2 2 2 3 3 5 6 3 4 2 2 2 3 3 1 2 3 4 1 3 5 4 0 5 4 5 2 19 55 10 17 13 13 13 7 9 18 7 3 3 3 5 19 17 7 11 5 2 3 8 15 65 30 42 30 11 7 100 1 8 6 2 2 4 3 0 1 3 2 0 1 4 2 0 1 3 1 0 1 3 1 0 2 3 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 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 3 3 2 2 3 4 3 3 5 3 3 3 4 3 10 12 12 27 30 31 16 4 1 3 3 3 2 2 3 1 1 2 2 1 1 2 2 2 2 7 6 5 8 23 68 11 5 4 2 1 2 3 2 1 1 2 2 1 1 2 1 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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; 1HNMR: 74 73 d 4H J 41 \| 73 73 m 1H \| 55 54 t 1H J 69 \| 51 51 s 2H \| 49 49 t 1H J 21 \| 37 36 dq 2H J 62 114 \| 36 35 dq 2H J 63 113 \| 35 34 dd 2H J 21 69 \| 12 12 t 6H J 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nn(C)cc1-c1ccnc(-c2n[nH]c3ccnc(NC(C)C)c23)c1	ir: 1 2 2 5 8 11 11 4 5 6 2 6 2 4 5 4 1 4 2 5 5 6 2 1 1 2 9 11 2 3 2 2 1 2 1 0 0 2 3 1 5 9 6 4 3 2 6 2 2 4 4 2 1 2 8 4 7 5 16 5 4 4 4 3 8 8 16 3 13 5 18 39 7 7 10 8 32 5 6 10 3 2 3 1 1 6 4 9 24 25 12 17 29 17 10 9 5 5 3 1 1 3 11 12 3 8 17 39 15 4 2 6 17 24 14 9 11 14 26 17 19 22 10 13 9 12 6 5 9 14 8 2 1 1 1 2 1 2 7 2 3 19 27 13 14 4 2 7 2 1 1 0 0 0 1 1 4 7 13 4 1 1 0 0 0 0 1 3 1 1 6 9 4 1 11 28 2 2 1 15 3 1 0 0 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 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 1 1 1 0 1 1 0 1 1 2 3 2 8 7 5 3 1 2 3 6 8 10 9 14 11 24 32 17 50 100 36 28 13 5 3 5 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 3 4 10 38 33 5 8 22 11 5 4 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 89 88 d 1H J 45 \| 82 82 m 2H \| 76 76 d 1H J 42 \| 75 75 s 1H \| 75 74 dd 1H J 21 45 \| 66 66 d 1H J 73 \| 43 42 dp 1H J 60 73 \| 39 38 s 3H \| 24 24 s 3H \| 13 12 d 7H J 59	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C=O)cc(CN2CCCC2)c1O	ir: 3 2 1 2 4 3 3 11 20 28 12 10 4 2 1 2 1 3 2 2 2 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 6 4 1 1 1 3 1 2 0 1 3 1 0 1 1 1 1 3 7 3 1 5 8 17 2 2 2 4 3 3 3 2 2 4 5 1 1 2 2 2 1 5 9 2 3 2 15 9 2 2 10 4 2 6 3 4 19 19 7 5 2 3 4 2 1 1 2 15 3 6 3 2 2 2 1 1 2 2 1 0 1 2 1 1 1 2 2 2 5 7 4 0 1 1 1 1 1 1 0 1 2 3 6 1 1 1 0 0 1 1 1 3 3 6 1 1 1 1 0 0 1 1 0 0 1 0 1 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 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 2 1 1 1 1 1 1 0 1 1 1 0 1 2 4 8 3 13 6 2 1 1 1 2 5 100 28 2 3 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 99 99 s 1H \| 76 75 m 2H \| 73 72 d 1H J 24 \| 39 38 s 2H \| 37 37 d 2H J 7 \| 29 28 td 4H J 18 36 \| 19 18 p 4H J 19	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C(=O)O)cc1Sc1ccccc1	ir: 1 1 1 1 2 2 2 2 3 2 0 2 6 7 9 3 8 6 2 8 17 100 72 5 5 1 2 1 4 6 1 1 2 7 5 2 3 3 4 57 85 4 5 1 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 0 1 1 1 1 1 2 6 8 10 3 2 2 1 1 2 11 23 8 22 10 7 3 1 2 5 5 2 7 2 2 1 1 6 10 2 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 2 9 7 2 1 1 1 1 0 1 2 10 4 1 1 1 0 1 1 2 2 4 1 1 0 3 9 36 14 13 4 3 1 1 2 2 5 9 2 1 2 2 1 1 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 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 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 0 0 0 1 1 1 1 1 1 0 1 1 1 1 1 2 1 4 3 8 11 44 25 27 2 0 2 2 2 0 18 17 9 2 1 0 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 d 1H J 22 \| 78 77 dd 1H J 22 77 \| 74 73 m 2H \| 73 73 m 2H \| 73 72 dq 1H J 10 78 \| 72 72 m 1H \| 24 24 d 3H J 11	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCN(Cc2sc(-c3ccccc3)nc2C(=O)O)CC1	ir: 17 74 52 19 8 7 4 6 4 3 17 7 17 7 13 29 6 3 2 5 26 2 5 2 1 1 1 1 3 3 12 8 17 7 5 7 4 3 4 3 9 9 21 5 4 4 3 1 1 1 1 1 2 1 1 1 4 3 2 2 3 3 4 2 1 1 1 4 5 17 1 1 1 1 4 2 3 2 2 2 11 48 12 43 22 44 7 1 5 7 0 1 1 2 2 2 3 4 2 3 5 3 1 3 6 2 1 1 2 1 1 1 2 3 7 3 6 12 14 5 25 4 2 5 3 2 5 6 5 6 7 8 6 3 4 76 6 4 2 2 5 6 14 57 8 4 3 1 1 3 6 54 8 0 1 2 1 0 0 2 1 0 0 1 1 0 1 35 2 1 1 2 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 2 2 1 2 2 2 2 1 1 1 1 3 3 9 32 5 6 63 27 7 5 3 3 3 4 20 100 6 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 0 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 80 79 m 2H \| 75 74 m 3H \| 42 42 s 2H \| 34 33 m 4H \| 26 26 m 4H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1n(Cc2cc(Br)cc(-c3ccccc3Cl)c2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F	ir: 2 1 1 4 2 1 3 3 2 2 6 7 4 1 1 2 1 1 1 3 1 1 1 1 0 1 1 1 1 1 2 12 8 4 1 1 1 0 4 4 2 2 18 10 1 1 1 1 5 2 2 5 10 5 3 5 4 39 9 4 1 1 1 5 6 3 8 10 2 11 4 1 2 1 2 1 8 0 1 1 1 7 2 3 2 6 21 15 9 5 5 5 3 4 5 28 3 4 6 1 2 1 3 2 3 4 4 5 1 1 2 3 8 9 5 5 7 10 5 7 5 7 11 6 12 7 8 4 3 1 3 4 3 3 3 5 17 4 1 5 3 1 0 1 1 1 2 10 9 16 1 0 4 1 1 0 1 1 3 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 2 1 3 3 7 6 10 5 4 6 12 13 23 100 77 13 11 3 2 3 4 36 7 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 m 2H \| 76 76 dd 1H J 12 74 \| 76 75 m 3H \| 75 74 m 2H \| 74 74 ddd 1H J 25 62 73 \| 74 73 m 2H \| 52 52 t 2H J 9 \| 48 47 qdt 1H J 73 82 123 \| 44 43 m 1H \| 43 42 dq 1H J 36 83 \| 42 41 ddq 1H J 23 71 106	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCC1=C(Cl)c2ccccc2CC1	ir: 2 1 1 3 2 5 10 2 1 2 2 3 2 2 2 2 1 1 1 1 2 1 3 1 1 1 3 2 1 0 1 1 2 1 2 5 6 3 2 1 2 15 10 67 2 17 1 3 2 1 1 1 1 1 1 2 1 7 3 1 1 3 3 9 1 2 1 1 1 5 6 6 1 3 3 5 1 1 2 3 2 2 2 18 37 25 67 100 18 21 15 14 5 6 3 2 1 1 1 2 2 2 1 1 2 3 16 6 1 1 1 1 1 1 1 3 5 2 1 1 2 3 3 1 1 1 1 1 0 1 1 0 1 2 2 2 37 26 1 2 2 0 2 4 14 3 10 7 4 1 5 7 1 1 1 1 1 0 0 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 2 1 1 1 1 1 2 4 8 6 1 3 2 1 2 5 6 7 12 22 39 42 7 4 3 2 0 23 54 57 5 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 dd 1H J 18 77 \| 73 72 m 2H \| 71 71 ddt 1H J 8 18 63 \| 42 42 d 2H J 59 \| 31 30 t 1H J 58 \| 29 28 m 2H \| 28 28 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1csc2c(NC(C)C)nc(Cl)nc12	ir: 5 5 3 4 5 4 5 20 32 6 4 4 5 3 5 4 4 33 11 6 4 4 3 4 4 4 4 4 4 3 3 4 4 3 4 5 5 7 66 73 7 6 4 5 4 3 3 4 5 3 3 4 4 3 5 10 6 4 4 4 4 3 4 6 4 6 4 5 4 4 5 4 3 3 5 6 4 4 4 4 5 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 6 7 11 4 5 5 3 4 20 23 5 6 7 5 37 29 7 4 6 5 5 4 4 5 5 6 6 7 21 9 4 5 5 5 6 9 6 3 4 10 26 67 21 7 6 1 1 10 43 100 36 87 12 14 8 0 3 6 4 1 3 5 3 2 3 4 3 2 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 5 4 4 3 4 4 4 4 4 4 5 5 4 9 7 5 5 4 8 11 6 5 5 4 4 4 4 4 4 4 4 3 6 7 4 4 3 4 5 15 31 21 28 23 10 30 13 6 6 4 3 3 4 4 3 4 4 4 4 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 72 72 d 1H J 9 \| 67 67 d 1H J 71 \| 43 42 ddt 1H J 59 71 119 \| 25 24 s 2H \| 13 12 d 6H J 59	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1c2cc(Cl)ccc2nn1CC(C)(N)C#N	ir: 6 4 10 8 2 2 4 2 0 1 1 1 1 1 2 1 1 1 2 1 1 1 1 2 3 5 4 1 1 2 2 2 1 2 2 1 1 2 2 2 4 2 1 1 1 1 1 1 2 2 7 3 3 5 5 4 5 3 4 10 32 56 25 15 17 9 16 17 70 23 17 0 24 7 5 2 3 3 1 1 2 5 2 1 2 2 1 1 2 2 6 5 3 6 6 6 5 2 2 3 5 4 4 3 4 5 3 2 3 4 1 2 2 2 1 2 3 3 5 3 5 7 3 4 4 6 7 9 13 26 16 44 27 26 14 7 7 5 2 2 2 1 1 1 2 7 2 2 1 0 7 2 2 3 2 1 1 0 1 1 1 0 2 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 2 5 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 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 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 2 2 3 2 2 3 2 2 2 1 2 3 3 4 7 7 16 18 9 4 3 2 2 2 1 2 1 2 6 4 14 65 44 26 4 5 7 5 12 33 100 6 4 2 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 78 77 t 1H J 16 \| 74 74 d 2H J 14 \| 44 44 d 1H J 141 \| 43 42 q 2H J 57 \| 42 41 d 1H J 141 \| 20 19 s 2H \| 17 17 s 3H \| 14 13 t 3H J 58	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1nc2c(C)ccnc2n1Cc1ccc(-c2ccccc2C#N)cc1	ir: 1 5 5 1 2 2 4 2 1 2 2 2 4 3 2 30 7 14 14 9 2 7 6 2 10 12 8 3 3 7 8 3 4 7 4 13 5 6 7 3 19 19 8 11 18 14 7 2 2 4 2 4 10 7 4 2 4 8 12 2 5 3 1 0 1 2 2 1 4 5 6 10 12 5 16 11 3 3 2 2 1 1 2 2 1 1 1 3 4 9 3 1 1 2 3 12 4 3 6 7 3 2 2 4 3 2 3 8 14 2 1 3 4 2 1 3 4 5 1 3 3 4 4 4 4 4 2 6 5 3 1 17 11 2 1 8 45 35 37 28 8 18 10 4 12 7 4 22 18 5 2 1 5 3 32 3 2 9 100 3 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 40 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 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 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 4 2 2 3 4 4 2 5 9 8 7 36 86 37 17 4 3 3 2 2 1 1 2 1 1 1 2 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 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 83 82 d 1H J 46 \| 78 77 ddd 2H J 14 69 90 \| 76 75 m 3H \| 75 75 ddd 1H J 14 63 74 \| 73 73 m 1H \| 71 70 dq 2H J 10 70 \| 55 54 t 2H J 9 \| 28 28 q 2H J 71 \| 25 25 d 3H J 7 \| 13 13 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1=N[C@@H](C(C)C)C(OC)=NC1C	ir: 7 15 8 3 54 7 11 9 4 1 1 2 4 9 3 2 1 1 1 1 1 4 2 1 1 1 1 1 1 1 2 5 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 3 1 1 1 1 1 5 2 8 11 2 1 2 3 4 24 4 6 2 6 1 5 3 2 32 9 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 2 9 13 3 24 4 18 18 10 1 3 1 1 1 1 1 1 3 2 3 5 2 2 25 5 1 7 6 7 2 2 2 1 1 1 1 1 1 1 1 1 1 1 100 0 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 2 4 5 7 10 22 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 39 38 ddq 1H J 15 29 88 \| 38 38 s 2H \| 38 37 s 2H \| 37 37 q 1H J 71 \| 22 21 ddt 1H J 68 87 136 \| 14 14 d 3H J 71 \| 9 9 ddd 7H J 15 68 81	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CN(c2cc(C3CCOC3)ccc2O)S(=O)(=O)N1	ir: 10 8 4 6 14 7 6 18 6 9 12 17 21 18 15 15 15 27 19 19 23 18 17 14 19 8 10 8 8 6 5 5 6 12 4 6 7 6 5 4 3 3 17 4 5 4 4 4 6 10 15 5 6 5 28 4 4 9 6 3 4 6 6 4 7 7 7 17 14 9 17 4 3 8 5 3 4 4 3 3 6 11 6 14 34 18 22 43 78 28 17 16 4 12 19 96 21 15 4 6 6 10 8 45 16 8 3 16 10 15 7 5 12 29 14 4 5 7 7 14 27 21 11 11 14 6 4 7 6 19 6 4 3 3 3 3 3 2 3 3 3 3 4 6 17 10 4 7 8 13 42 47 12 16 12 17 8 4 5 3 3 3 3 4 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 3 5 4 4 6 7 6 3 4 6 5 4 7 9 12 34 28 21 16 10 0 100 12 47 21 13 2 4 6 2 2 5 4 3 3 6 9 11 18 18 10 65 17 17 9 6 9 6 5 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 80 80 s 1H \| 69 68 m 3H \| 66 66 s 1H \| 48 48 s 2H \| 40 39 m 1H \| 39 38 ddd 1H J 29 47 108 \| 38 37 ddd 1H J 29 47 110 \| 37 36 ddd 1H J 7 35 115 \| 33 32 tt 1H J 34 55 \| 25 24 m 1H \| 23 22 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C)(Cc1ccc(OCc2ccccc2)cc1)Oc1ccccc1	ir: 4 4 5 2 2 2 2 3 2 3 4 4 5 6 10 10 1 1 1 1 3 1 1 1 1 2 2 2 3 4 4 5 3 3 2 1 3 5 3 12 21 26 18 5 8 5 2 3 1 2 2 1 1 0 3 28 10 7 2 2 1 2 1 3 1 5 6 3 5 13 2 2 1 4 2 4 3 3 3 4 2 20 7 1 2 2 2 8 4 4 3 6 3 5 3 2 2 2 7 9 3 1 1 1 1 1 1 3 1 1 0 1 2 1 2 1 2 5 7 3 9 3 3 3 1 2 2 4 8 13 5 2 2 3 2 24 8 3 1 1 2 3 3 22 16 31 7 5 11 6 5 7 6 4 3 1 1 0 1 4 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 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 0 1 1 2 1 2 1 1 1 1 4 2 9 16 11 17 100 39 18 4 5 2 1 2 1 1 1 1 1 1 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 0 0 0 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 74 m 2H \| 74 73 m 5H \| 70 69 m 5H \| 69 68 m 2H \| 51 50 d 2H J 9 \| 43 42 m 2H \| 34 33 dt 1H J 9 139 \| 31 31 dt 1H J 8 140 \| 16 15 s 2H \| 13 12 t 3H J 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(C(CNC(=O)c2cccc(Cl)c2Cl)N2CCC(F)(F)CC2)ccc1=O	ir: 6 18 12 6 5 6 5 12 6 8 3 4 4 2 1 2 3 6 7 4 21 16 2 3 10 3 6 7 5 3 2 11 9 15 15 2 6 4 10 19 20 55 30 12 4 15 2 1 13 7 3 2 4 5 7 20 14 100 35 6 4 3 4 9 7 9 3 2 2 1 3 5 6 3 4 1 1 1 2 2 3 15 30 19 5 8 5 5 1 9 10 14 26 6 10 8 4 16 5 31 3 3 4 12 5 3 6 11 8 4 4 4 9 10 12 5 5 3 7 14 20 10 19 14 10 11 26 16 11 11 47 41 20 19 21 14 7 9 31 75 8 18 5 6 8 14 87 60 32 14 82 27 8 12 22 67 6 1 8 5 1 1 3 30 1 3 2 0 1 2 1 0 1 2 1 1 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 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 4 2 3 7 10 5 6 4 2 3 5 7 24 8 23 19 26 55 31 13 6 1 3 3 2 1 1 2 1 2 2 3 5 6 6 5 3 5 16 23 74 38 42 26 2 2 4 3 2 2 2 2 1 1 2 2 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 79 79 dp 1H J 10 20 \| 77 76 ddd 2H J 15 81 136 \| 74 74 m 2H \| 73 73 t 1H J 59 \| 63 63 d 1H J 95 \| 36 35 m 2H \| 34 33 d 3H J 10 \| 33 33 ddd 1H J 53 60 113 \| 31 30 dtt 2H J 29 64 121 \| 29 28 dtt 2H J 27 64 120 \| 22 20 tt 4H J 64 142	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N=C(N)c1ccc2cc(OC(=O)CCCC3CCCCC3)ccc2c1	ir: 5 8 17 16 5 14 13 5 22 13 16 29 18 14 13 13 11 8 4 13 9 4 13 5 5 9 8 24 16 14 11 5 7 7 7 8 5 6 6 4 5 3 2 5 3 4 3 7 4 5 3 7 6 21 28 7 4 2 5 5 3 4 3 5 13 3 5 19 26 5 4 5 2 2 2 2 1 1 3 2 4 2 1 1 3 3 4 24 4 3 5 3 8 7 9 10 3 6 3 5 3 4 6 6 4 5 3 4 6 6 2 12 9 7 1 7 5 4 16 9 13 9 8 7 16 5 7 2 1 4 1 2 2 5 2 4 3 9 46 27 6 11 12 15 33 48 39 21 12 31 86 30 10 11 3 6 10 8 3 2 2 1 1 1 1 0 1 1 1 4 1 1 1 1 1 1 1 1 0 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 0 1 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 2 4 5 2 5 2 3 4 3 4 6 8 20 3 15 100 17 11 6 4 4 4 1 2 2 2 2 4 3 6 9 63 36 13 28 7 2 2 3 2 2 2 4 2 7 58 43 11 5 2 4 2 0 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 td 1H J 9 17 \| 79 79 dd 1H J 23 85 \| 78 77 dd 1H J 21 78 \| 77 76 dd 1H J 14 77 \| 76 76 t 1H J 23 \| 73 72 dd 1H J 24 82 \| 68 68 s 1H \| 53 53 s 2H \| 25 24 t 2H J 86 \| 17 16 m 2H \| 15 13 m 12H \| 12 11 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1Nc2ccc(F)cc2C1CCCCN1CCN(c2ccc(F)cc2)CC1	ir: 4 4 3 4 3 2 1 3 4 3 3 5 2 7 9 5 3 1 0 5 3 13 31 6 1 1 2 9 4 2 2 5 34 5 4 5 2 2 1 1 2 1 2 2 3 2 3 1 2 2 4 4 4 23 72 8 9 8 9 10 11 10 3 1 3 2 3 10 4 19 3 2 4 1 0 0 1 2 1 5 7 7 7 6 14 13 11 6 2 3 2 2 2 4 4 4 6 4 4 13 13 6 5 3 1 1 5 7 3 2 4 4 3 1 3 2 12 2 2 4 6 9 3 2 1 3 2 1 2 2 1 7 2 2 1 3 1 1 1 1 2 9 3 1 1 1 1 3 7 31 5 5 10 2 5 64 100 14 5 1 1 6 5 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 1 3 2 2 1 2 4 2 5 4 6 6 8 43 62 36 17 4 3 3 3 2 1 2 2 1 1 1 1 1 1 0 1 3 4 2 3 11 32 28 6 2 2 11 4 0 0 1 1 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 s 1H \| 74 74 dd 1H J 46 81 \| 74 73 ddd 1H J 7 22 121 \| 71 70 ddd 1H J 21 79 101 \| 70 69 m 2H \| 69 69 m 2H \| 37 37 td 1H J 8 56 \| 33 32 m 4H \| 28 27 m 4H \| 25 24 m 2H \| 22 21 dtd 1H J 56 86 141 \| 19 18 dtd 1H J 55 86 142 \| 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.
Nc1ccc(-c2nc3c(c(N4C[C@H]5CC[C@@H](C4)O5)n2)CCCO3)cn1	ir: 1 2 2 5 3 1 2 2 3 3 3 3 9 2 3 3 3 4 5 3 1 1 1 3 2 1 3 3 2 4 5 4 3 2 1 5 6 1 2 2 2 0 0 3 2 2 2 11 32 43 56 7 7 5 8 3 2 1 11 7 3 1 1 0 16 1 4 1 1 9 8 2 0 1 2 0 1 2 2 1 6 9 4 1 1 1 1 1 6 2 3 1 6 1 3 4 1 1 5 1 0 1 1 1 1 1 1 4 1 2 2 1 2 2 3 1 1 1 2 1 1 1 2 2 1 4 4 4 11 2 1 1 1 1 1 2 1 6 4 1 1 1 1 4 9 3 2 5 16 25 55 23 8 40 6 1 1 2 1 0 1 26 2 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 1 2 1 2 2 1 1 1 2 2 2 4 1 3 6 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 11 28 2 1 0 1 1 1 1 8 1 2 29 100 2 1 8 5 2 1 1 1 1 0 1 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 0 0 0 0 0 0 0; 1HNMR: 88 88 d 1H J 18 \| 81 81 dd 1H J 19 87 \| 68 67 d 1H J 88 \| 54 54 s 2H \| 43 43 m 2H \| 42 42 tt 2H J 23 48 \| 39 38 ddd 2H J 15 133 240 \| 37 36 dd 2H J 42 132 \| 27 26 m 2H \| 23 22 m 2H \| 21 20 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.
Fc1cc(CBr)ccc1Br	ir: 1 1 1 2 2 3 2 1 1 1 3 3 4 3 9 11 10 2 1 1 1 1 1 1 1 4 4 4 2 2 2 4 2 4 14 10 7 1 2 2 2 2 2 2 1 1 2 1 1 2 1 1 3 22 66 14 4 1 3 3 1 1 1 1 2 4 26 58 44 0 4 2 1 1 1 1 2 2 3 2 1 1 1 2 1 2 2 7 5 9 15 13 18 7 3 3 3 5 3 2 2 2 1 2 3 3 7 6 12 4 3 1 2 5 5 1 1 1 1 1 1 2 3 6 17 5 6 4 2 1 1 1 1 1 1 1 3 2 10 9 1 2 1 1 1 2 3 19 18 0 1 9 39 47 6 2 1 2 3 2 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 4 10 9 2 2 3 2 3 10 21 18 14 95 100 35 26 9 2 4 3 2 2 2 2 1 0 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 75 74 dd 1H J 48 92 \| 72 71 ddt 1H J 10 18 92 \| 71 70 ddt 1H J 8 17 121 \| 45 44 t 2H J 8	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccccc1S(=O)(=O)N1CCC(C(F)(F)F)CC1	ir: 4 5 3 5 9 8 4 5 6 5 6 9 8 4 3 16 9 4 7 4 4 3 4 5 4 23 3 3 3 3 3 3 3 3 3 3 3 8 16 6 6 4 4 1 29 0 4 5 3 3 3 4 4 6 5 5 5 3 4 9 4 4 7 9 3 4 5 4 4 5 8 7 4 4 4 4 4 4 3 30 5 10 4 4 11 10 80 35 9 5 12 6 5 3 5 4 3 4 8 7 10 16 19 5 3 4 6 6 27 25 11 16 9 6 7 4 5 4 4 6 3 4 4 4 3 3 3 4 3 7 4 3 3 4 3 5 8 4 8 8 4 4 4 3 3 3 3 3 20 7 3 4 3 3 4 3 3 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 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 4 4 4 4 3 3 3 4 4 5 5 9 9 8 100 14 4 4 4 3 2 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 79 78 ddd 2H J 14 75 99 \| 77 76 m 1H \| 76 75 td 1H J 14 65 \| 35 33 m 4H \| 24 23 m 1H J 75 \| 21 20 m 2H \| 19 18 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(CSc2ccc(Cl)cc2)cc1	ir: 2 2 1 2 2 2 1 6 9 19 10 12 6 2 1 5 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 4 2 2 2 10 15 4 4 3 2 0 2 3 2 0 3 8 10 54 100 7 9 5 2 1 2 2 3 6 4 2 2 2 18 3 2 2 3 2 2 2 1 2 2 2 1 1 2 3 8 4 3 3 2 2 3 7 3 9 18 7 4 2 3 2 2 2 1 1 2 2 2 2 2 2 3 4 2 2 2 2 2 2 2 3 9 7 3 3 2 6 7 7 4 2 2 2 1 2 1 1 1 1 1 2 1 1 1 6 7 3 12 23 13 5 4 13 10 7 3 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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 2 4 3 3 3 3 2 2 4 6 10 42 52 54 40 22 6 6 4 2 3 4 2 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 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 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 1 1 1 1 2 1 1 1 2 1 1; 1HNMR: 74 73 m 4H \| 72 71 dt 2H J 9 77 \| 71 71 m 2H \| 42 42 t 2H J 8 \| 23 23 d 3H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSCCC(Oc1cccc(Cl)c1Cl)C1CCNC1	ir: 0 1 0 1 1 0 1 1 1 1 1 1 1 3 2 3 2 4 2 3 3 1 1 2 1 1 3 2 2 3 3 4 2 5 7 11 8 4 3 3 4 4 6 6 7 5 10 9 9 5 4 1 2 3 2 6 6 3 4 6 6 9 7 7 6 3 6 7 5 4 2 3 3 5 4 2 2 3 1 3 2 2 1 1 1 1 1 1 2 1 1 2 5 1 1 1 1 1 1 2 2 3 2 5 5 8 20 26 15 17 6 7 20 13 11 25 6 8 6 5 4 4 4 6 5 3 1 3 2 1 2 3 2 1 1 1 2 2 4 7 4 1 1 1 1 1 0 1 1 1 1 1 1 1 4 2 1 3 3 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 1 1 0 1 1 2 2 3 3 2 1 1 4 2 1 3 9 13 8 8 18 11 5 2 0 1 2 1 1 1 2 1 2 2 4 4 9 8 7 99 100 12 7 5 2 2 3 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 72 t 1H J 81 \| 72 71 dd 1H J 13 79 \| 69 69 dd 1H J 12 83 \| 47 46 dt 1H J 48 59 \| 36 35 m 1H \| 31 30 m 2H \| 29 28 m 1H \| 28 28 m 1H \| 27 27 dt 1H J 66 133 \| 26 25 dt 1H J 67 134 \| 22 21 m 2H \| 21 21 s 2H \| 20 19 m 1H \| 19 18 dtd 1H J 47 66 132 \| 18 17 dddd 1H J 22 40 59 112	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)c1ccc(Cn2ncc3ccc(Br)cc3c2=O)cc1	ir: 5 12 5 4 3 3 2 3 7 5 21 4 4 7 68 32 22 63 2 3 4 1 3 6 6 4 14 3 3 1 5 3 1 0 1 2 3 18 1 5 3 3 19 4 1 1 2 5 9 5 2 6 8 20 54 18 62 7 13 2 1 6 5 1 2 1 4 12 19 5 7 0 1 1 1 3 1 1 1 1 3 8 1 1 4 1 2 5 1 7 11 20 1 1 11 3 8 10 8 20 33 6 12 3 1 1 1 1 1 1 9 3 0 1 3 3 4 100 19 18 24 46 17 7 5 11 18 8 40 20 11 10 18 12 6 1 0 2 2 13 1 7 10 25 63 8 9 3 3 22 16 38 11 9 4 3 2 17 2 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 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 1 0 0 1 1 0 0 2 1 1 1 4 1 0 1 4 3 0 1 3 1 0 4 16 37 18 50 87 47 36 8 3 4 7 4 3 3 2 1 0 1 1 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 s 1H \| 81 80 d 1H J 25 \| 80 80 d 1H J 84 \| 80 79 m 2H \| 78 77 dd 1H J 26 84 \| 74 74 dq 2H J 9 86 \| 53 53 d 2H J 9 \| 16 16 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(C#N)cc1	ir: 0 2 6 3 3 2 2 2 2 1 3 2 2 5 2 3 4 4 2 2 0 1 2 3 1 1 6 5 6 5 2 2 4 2 2 0 2 5 5 1 1 4 1 2 2 2 1 2 1 2 3 4 5 7 9 8 10 9 19 3 2 6 2 2 2 1 1 0 5 10 2 2 1 1 2 2 2 8 11 27 100 24 9 3 3 3 3 18 27 5 6 1 1 4 1 1 1 1 1 1 1 1 1 0 1 1 4 1 2 1 2 7 2 1 1 1 3 2 3 3 5 3 5 3 2 5 3 5 2 1 1 1 1 0 0 1 1 0 1 1 1 2 1 2 3 3 7 23 10 16 3 8 10 3 2 1 1 1 0 1 0 0 1 1 1 0 0 1 0 0 1 1 1 0 0 0 0 0 0 0 0 1 10 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 3 2 2 2 1 1 1 1 2 4 2 2 2 1 2 1 2 3 8 5 12 37 26 27 6 3 4 7 18 57 38 10 3 2 1 2 1 1 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 2 1 2 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 76 76 m 4H \| 74 73 m 4H \| 69 68 m 6H \| 27 26 t 2H J 77 \| 16 16 m 2H \| 14 13 h 2H J 72 \| 10 9 t 3H J 74	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NNc1cc(COc2ccc(Cl)c(C(F)(F)F)c2)c(Br)cn1	ir: 5 5 2 2 3 3 2 3 2 2 2 2 1 1 2 3 4 2 4 2 2 4 2 6 8 6 6 9 21 14 11 8 7 4 6 30 16 5 6 5 4 2 1 3 1 1 1 1 2 1 1 3 3 1 9 1 4 2 1 2 2 0 2 1 3 4 10 11 5 5 2 2 1 1 1 1 1 1 4 2 1 2 2 2 1 1 1 1 3 5 6 6 3 1 13 12 2 2 15 6 0 3 3 9 1 2 0 1 1 4 0 1 1 1 1 1 1 1 1 10 2 1 1 1 1 2 1 1 1 1 1 5 4 1 1 1 1 1 1 1 21 15 8 7 16 45 14 6 8 8 3 3 6 4 2 1 1 1 1 0 13 30 2 0 1 1 1 0 0 1 0 0 0 1 1 0 1 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 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 0 1 1 1 0 1 2 1 1 1 2 1 2 9 29 9 3 1 1 1 1 1 0 1 1 1 1 2 14 15 1 2 3 1 1 4 6 8 100 41 19 17 4 1 1 3 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 s 1H \| 75 74 d 1H J 80 \| 73 72 dq 1H J 9 20 \| 69 68 m 2H \| 64 64 t 1H J 38 \| 54 54 d 2H J 7 \| 46 45 d 2H J 38	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(C(C)(O)CCl)nc2cc(Cl)c(Cl)cc21	ir: 3 4 6 2 2 5 8 11 20 18 5 4 3 1 1 0 1 2 0 0 1 2 1 2 1 2 1 1 1 1 0 0 1 2 0 1 1 3 1 1 1 0 1 1 2 2 2 1 1 0 0 1 1 0 1 1 0 0 1 1 1 1 1 2 3 4 4 8 5 1 1 3 2 0 0 1 1 1 1 3 6 4 3 2 1 2 9 8 2 2 4 1 2 1 1 1 2 2 2 7 4 1 1 1 0 0 1 0 0 1 1 2 1 3 2 0 0 1 1 1 1 2 1 2 1 2 1 0 1 1 1 1 0 1 1 0 0 3 0 0 0 4 0 0 0 0 0 0 0 0 1 0 1 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 1 2 4 1 6 6 4 1 1 2 1 3 25 100 2 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 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; 1HNMR: 76 75 s 1H \| 74 74 s 1H \| 42 42 d 1H J 126 \| 41 41 s 1H \| 40 39 d 1H J 125 \| 38 38 s 3H \| 18 17 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCCn1cc(C(=O)c2ccc(O)c(O)c2)c2ccccc21	ir: 4 6 4 6 4 3 3 5 10 7 22 38 52 41 7 9 10 24 6 3 3 4 3 6 5 5 2 3 2 1 2 1 2 2 2 2 2 3 2 4 7 4 58 35 27 3 2 4 3 2 4 3 5 2 5 12 3 1 2 2 2 2 2 2 4 2 5 5 6 6 5 4 3 2 4 4 7 7 7 27 13 5 4 7 15 15 6 5 1 1 6 4 7 8 22 3 5 3 8 4 4 5 9 7 8 3 2 1 1 2 1 2 11 5 4 4 2 4 6 9 9 12 14 12 5 4 6 10 6 5 2 2 2 1 3 5 2 6 6 2 3 5 9 6 19 27 14 16 14 3 9 12 13 3 4 1 2 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 2 1 2 2 2 2 2 2 2 2 1 1 2 3 5 14 9 7 14 21 16 19 14 4 2 100 83 46 3 4 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 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 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; 1HNMR: 88 87 s 1H \| 84 84 m 1H \| 76 76 q 1H J 7 \| 75 74 m 1H \| 74 73 m 4H \| 70 70 s 1H \| 70 69 d 1H J 92 \| 42 41 m 4H \| 24 23 t 2H J 82 \| 21 20 tt 2H J 60 83 \| 13 12 t 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(C)(C)CN1CCC(COc2noc3cccc(OCC4CCC4)c23)CC1	ir: 16 22 11 8 11 12 12 12 22 16 13 7 22 15 5 7 6 6 6 4 4 4 4 3 3 1 3 2 3 1 1 3 5 3 1 2 2 1 2 3 2 1 2 3 3 3 4 31 32 1 5 4 3 0 3 6 4 1 2 1 21 8 12 10 11 7 9 4 3 2 2 7 21 9 9 11 10 3 5 7 11 23 56 30 21 4 4 5 4 2 7 4 4 4 8 5 3 6 10 4 6 4 15 12 10 11 12 11 13 7 12 3 1 4 7 20 42 20 6 5 5 5 11 10 2 5 8 6 9 10 6 7 20 5 5 3 1 6 4 8 5 20 12 4 17 87 10 2 3 5 37 14 2 2 2 4 3 17 11 1 1 2 2 0 1 3 1 0 1 2 1 0 1 3 1 0 2 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 3 3 3 2 5 10 7 4 6 10 3 4 14 11 15 18 11 100 10 11 4 2 2 2 2 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 74 74 t 1H J 78 \| 72 71 dd 1H J 12 78 \| 68 67 dd 1H J 12 78 \| 41 41 d 2H J 60 \| 40 40 d 2H J 44 \| 37 36 s 2H \| 29 28 ddd 2H J 51 77 119 \| 28 28 s 2H \| 28 27 ddd 2H J 50 77 119 \| 22 21 hept 1H J 59 \| 20 18 m 6H \| 18 16 m 7H \| 12 12 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(OCCn2c(-c3cccnc3)c(C)c3cc(C#N)ccc32)cc1	ir: 6 8 1 26 13 5 7 5 6 6 7 7 16 19 22 5 2 4 4 3 3 4 4 9 12 9 7 7 4 5 8 14 46 33 40 27 9 35 11 3 2 5 4 2 3 4 3 4 3 4 4 5 6 5 27 86 18 13 11 0 6 9 23 13 13 19 13 18 25 19 12 6 6 8 4 12 7 11 8 8 8 5 2 2 3 3 2 4 7 5 3 3 4 3 6 4 5 4 2 3 3 3 2 4 3 3 2 3 4 3 6 14 65 10 11 33 14 14 8 7 19 53 18 9 20 18 12 7 7 4 2 4 3 3 2 3 6 3 5 6 37 5 9 31 15 5 9 4 9 18 27 83 14 56 17 5 5 2 2 4 6 20 6 5 3 2 3 3 3 2 2 3 2 2 3 3 2 2 3 3 3 3 15 5 2 1 3 3 2 2 3 3 2 2 3 4 2 2 4 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 5 2 2 5 4 6 4 6 5 4 4 5 5 8 20 16 32 100 73 13 15 12 6 5 3 3 4 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 87 86 dd 1H J 17 48 \| 86 85 d 1H J 21 \| 81 80 d 1H J 22 \| 80 79 dt 1H J 19 70 \| 78 78 m 2H \| 76 75 dd 1H J 22 68 \| 75 74 dd 2H J 48 68 \| 70 70 m 2H \| 44 43 t 2H J 38 \| 43 43 t 2H J 38 \| 39 39 s 3H \| 27 27 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)CC(NC(=S)NCCOC(C)=O)CC2	ir: 1 3 4 5 4 4 3 2 0 3 3 2 1 2 3 2 1 3 5 4 5 6 3 5 6 26 41 10 2 9 6 5 4 33 50 92 16 9 12 11 4 1 3 3 2 2 2 2 3 5 2 3 4 11 6 5 7 5 2 3 2 3 2 2 4 5 10 13 9 16 16 11 4 5 4 2 3 3 1 1 2 1 1 1 1 2 2 4 3 4 4 4 4 6 8 2 2 3 2 2 6 7 10 6 4 4 3 6 8 3 4 8 17 15 7 3 3 5 2 5 9 13 10 22 19 13 8 30 6 9 9 5 7 11 5 3 1 2 2 2 5 6 23 44 70 15 12 15 100 40 17 14 8 23 6 4 2 1 1 2 1 2 5 3 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 4 5 3 3 4 3 3 4 5 6 9 21 9 15 16 14 6 3 1 2 2 2 2 2 1 2 2 2 2 3 3 3 8 6 5 6 12 51 54 64 27 9 7 7 6 2 2 3 3 2 1 2 2 1 1 1 1 1 1 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1; 1HNMR: 75 75 t 1H J 45 \| 69 69 dt 1H J 9 85 \| 67 67 dd 1H J 21 83 \| 66 66 d 1H J 71 \| 66 65 dt 1H J 9 20 \| 43 43 t 2H J 47 \| 42 41 dp 1H J 57 71 \| 38 37 m 5H \| 32 31 ddd 1H J 9 59 148 \| 29 28 m 2H \| 28 27 m 1H \| 22 21 m 1H \| 21 21 s 3H \| 19 18 dddd 1H J 53 60 86 138	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(Cl)c2[nH]c(=O)c3sccc3c2c1-c1ccc(C2(CNC(=O)OC(C)(C)C)CC2)cc1	ir: 1 4 2 4 3 1 1 1 2 4 8 3 3 5 2 2 2 2 3 1 5 3 7 5 15 9 26 22 62 21 15 24 4 2 1 4 10 8 9 16 20 54 9 6 13 9 6 29 24 5 3 7 9 3 4 13 48 4 3 2 1 2 2 3 3 3 6 11 5 5 5 7 2 4 1 3 2 1 2 2 1 1 2 3 2 2 1 3 5 6 3 2 2 2 4 3 2 3 4 2 4 2 2 6 3 1 2 2 1 5 12 1 0 1 1 1 1 7 7 8 7 7 12 14 21 25 5 6 5 15 5 7 3 11 6 1 2 2 1 2 18 4 12 17 21 16 18 25 29 46 28 7 5 4 3 3 43 15 5 6 6 4 26 6 2 2 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 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 1 2 2 2 0 1 2 1 1 1 2 1 2 2 7 18 18 12 32 37 14 28 31 7 9 4 3 2 2 1 2 2 1 1 1 2 2 2 3 2 7 11 38 100 24 16 6 1 1 2 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 79 78 d 1H J 57 \| 75 75 m 6H \| 72 72 s 1H \| 55 55 t 1H J 44 \| 40 40 s 3H \| 36 35 d 2H J 44 \| 14 14 s 8H \| 14 13 m 2H \| 11 11 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC1CCC([C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N2CC[C@H](F)C2)CC1	ir: 5 5 8 13 12 3 3 2 4 4 7 4 3 4 3 5 4 3 2 2 2 2 2 2 6 7 5 13 9 11 8 24 23 24 16 20 4 4 5 4 4 5 3 9 13 11 6 5 4 4 2 2 3 1 2 3 2 1 3 2 3 6 4 5 2 2 2 4 2 1 3 5 4 7 4 3 3 4 4 3 11 4 3 2 2 1 1 1 1 1 1 3 2 2 3 3 4 2 3 4 3 4 5 14 11 35 11 8 9 12 6 8 11 12 14 7 24 19 8 8 10 10 13 7 10 8 12 7 6 11 17 9 10 13 22 17 7 3 6 5 2 5 6 4 12 32 44 24 6 26 6 3 2 2 2 1 1 4 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 2 2 3 3 4 5 2 3 3 2 7 19 12 9 4 3 1 2 2 1 2 2 2 1 2 2 1 2 2 3 2 1 5 9 19 31 17 11 6 11 100 9 9 6 0 0 3 2 0 0 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 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 56 55 d 1H J 88 \| 50 50 m 1H \| 49 49 m 1H \| 43 43 tq 1H J 15 88 \| 38 36 m 2H \| 36 35 dddd 1H J 35 52 70 116 \| 35 34 m 1H \| 32 32 dq 1H J 49 59 \| 27 26 qdd 1H J 15 34 68 \| 26 25 dd 3H J 15 48 \| 25 23 ddddd 1H J 27 51 70 97 196 \| 22 21 m 2H \| 19 18 tdddt 1H J 15 31 46 64 94 \| 18 16 m 4H \| 15 13 m 3H \| 14 14 s 9H \| 9 8 dt 3H J 15 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=Cc1ccc(C)c(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1	ir: 3 4 5 2 5 2 7 8 4 4 3 2 1 2 4 4 6 4 6 3 5 4 3 2 3 3 4 2 2 3 7 2 2 3 3 2 4 7 6 2 2 4 13 2 5 3 3 9 10 6 4 0 20 9 67 17 10 27 6 6 4 2 3 3 2 3 16 33 12 10 16 24 6 14 72 38 15 4 4 3 2 5 5 3 3 2 3 3 3 6 4 3 2 3 11 13 4 19 5 25 6 7 6 10 9 8 7 4 2 2 1 3 2 4 9 3 4 6 4 3 3 4 1 3 3 7 3 3 4 3 7 7 5 6 4 6 5 4 3 10 5 2 2 50 7 4 2 2 11 37 10 6 13 11 6 8 22 12 15 17 18 7 3 5 10 3 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 3 3 2 4 4 3 4 6 8 5 8 11 23 19 38 100 40 69 15 9 5 13 7 3 2 3 2 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 75 75 d 1H J 22 \| 74 73 dddt 1H J 10 47 55 78 \| 72 71 dq 1H J 10 91 \| 71 71 dd 1H J 21 92 \| 69 69 m 1H \| 69 68 m 1H \| 67 66 dd 1H J 108 163 \| 64 63 q 1H J 13 \| 58 57 dd 1H J 27 109 \| 55 54 dd 1H J 27 162 \| 53 52 dd 2H J 8 36 \| 25 24 d 3H J 13 \| 23 23 d 3H J 11	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C(C)=O)=C(C)C	ir: 3 5 6 6 8 3 6 4 4 3 4 3 2 3 2 3 3 3 2 2 2 2 2 2 2 2 3 2 2 1 1 2 2 1 2 2 4 3 2 2 2 2 1 1 1 1 1 1 2 1 1 1 2 2 2 2 2 1 2 2 1 1 1 2 1 2 2 2 2 3 3 4 7 6 10 4 3 2 5 5 7 4 2 3 2 1 1 2 1 2 2 2 2 2 2 2 2 3 6 3 4 5 5 12 7 2 2 2 2 1 2 3 5 5 4 3 6 5 4 8 5 4 4 3 5 4 4 6 4 2 4 1 2 3 3 2 1 2 2 1 2 6 7 3 2 3 3 0 1 100 23 64 50 6 3 3 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 3 3 4 2 2 2 2 2 2 2 2 3 4 9 7 19 8 6 6 2 2 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 43 42 q 2H J 71 \| 25 25 s 3H \| 21 21 s 3H \| 21 20 s 3H \| 13 12 t 4H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nnc(N2CCN(c3ccccn3)CC2)s1	ir: 1 7 6 16 10 3 3 6 1 6 4 2 1 2 2 3 2 1 1 1 1 1 1 0 0 1 1 1 0 1 1 1 1 2 1 0 1 1 8 8 2 1 1 1 0 1 0 0 0 1 1 1 1 5 13 1 0 1 0 2 0 1 2 0 0 1 0 0 0 0 1 1 2 0 0 0 0 1 7 1 0 0 1 0 0 0 0 1 5 1 0 0 2 2 1 1 0 1 0 1 1 1 1 1 1 0 0 0 1 1 0 3 8 6 4 4 3 2 4 1 1 1 0 0 0 0 0 1 1 1 2 1 2 1 1 2 4 6 1 2 11 2 1 1 1 0 1 1 1 5 1 1 2 1 6 13 6 3 15 3 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 0 1 1 1 1 2 1 1 14 4 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 5 12 1 1 1 0 0 1 1 1 0 2 33 100 18 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 dd 1H J 17 45 \| 75 75 td 1H J 17 72 \| 68 68 dd 1H J 14 70 \| 67 66 ddd 1H J 14 45 73 \| 64 64 s 2H \| 40 38 m 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(OCC[C@H](C)Oc2ccc(C(F)(F)F)cc2Oc2ccccc2)cnc1CCC(=O)O	ir: 1 6 5 4 7 13 11 19 18 7 13 11 14 14 10 6 7 23 29 61 100 82 36 10 30 31 4 6 5 4 8 10 7 8 14 17 12 5 8 22 35 25 8 10 10 7 2 3 2 1 2 2 4 4 3 3 15 6 2 5 3 3 5 4 5 13 7 8 8 20 10 10 7 13 13 6 24 42 70 31 24 10 9 7 5 8 11 6 7 7 6 6 4 5 21 8 3 4 55 16 9 7 10 4 3 2 3 8 6 3 4 5 9 33 7 5 11 9 10 14 9 12 12 9 5 8 7 9 14 8 12 6 6 6 10 36 11 8 3 3 3 7 29 63 21 12 9 6 7 10 9 5 7 9 27 3 2 2 2 4 1 2 2 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 2 2 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 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 2 4 2 1 2 6 3 4 3 2 3 3 2 4 9 29 26 21 64 60 13 8 3 3 2 2 1 9 24 5 2 1 1 1 1 1 1 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 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: 78 78 d 1H J 16 \| 75 74 ddt 1H J 14 35 77 \| 74 73 m 2H \| 73 72 dq 1H J 9 20 \| 71 71 tt 1H J 14 75 \| 71 70 m 4H \| 46 45 h 1H J 58 \| 43 42 dt 1H J 65 117 \| 42 41 dt 1H J 66 115 \| 32 31 t 2H J 87 \| 28 27 t 2H J 86 \| 23 23 s 3H \| 23 22 dtd 1H J 57 66 141 \| 20 19 dtd 1H J 57 66 141 \| 14 13 d 3H J 59	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc2[nH]cc(CN(C)C)c12	ir: 7 3 3 3 1 2 2 3 2 5 1 3 1 3 3 3 2 2 5 4 5 2 2 4 51 50 7 2 1 2 2 1 1 1 1 2 1 2 2 1 1 1 2 6 72 100 73 11 3 2 1 2 2 1 4 6 2 2 2 2 2 4 4 15 15 15 8 6 8 4 5 2 2 2 1 1 4 7 8 7 4 4 2 2 3 4 9 10 6 3 4 8 20 9 4 6 3 3 2 2 3 3 3 3 5 8 5 30 9 3 2 1 1 2 2 4 11 17 8 4 6 6 2 2 2 1 1 2 3 2 1 3 3 2 3 3 3 4 10 11 5 0 27 17 8 3 2 1 1 7 18 4 4 6 1 1 1 11 10 18 19 2 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 3 3 4 3 5 5 10 35 18 25 19 12 9 5 5 5 2 1 1 1 1 2 2 1 1 1 1 1 1 3 6 8 13 50 10 4 3 3 2 2 3 2 1 1 2 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 85 d 1H J 70 \| 73 72 dd 1H J 12 78 \| 72 71 t 1H J 77 \| 71 70 ddt 2H J 8 70 95 \| 42 42 d 2H J 7 \| 25 25 d 3H J 7 \| 23 22 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(=O)c(C(=O)O)c(C)o1	ir: 7 7 8 6 6 6 6 5 6 6 7 10 14 16 19 7 9 6 6 6 7 5 5 12 82 62 43 11 4 10 10 5 4 8 7 4 4 8 6 4 5 8 7 0 34 13 14 7 6 6 6 6 6 7 7 5 7 8 7 4 7 11 9 17 18 24 21 12 15 25 26 24 15 9 19 13 13 34 26 42 10 5 5 5 6 6 6 5 6 5 5 5 6 6 5 7 8 7 7 6 6 6 6 6 11 8 7 7 10 13 7 6 7 5 5 6 6 8 7 7 6 7 6 7 7 8 10 12 6 5 6 5 5 7 9 29 10 8 7 5 4 8 25 95 19 4 4 7 7 4 6 8 9 5 5 7 6 4 5 9 7 73 59 17 6 7 5 5 5 6 6 5 6 5 5 5 5 6 5 5 5 5 5 6 6 5 5 5 5 5 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 5 6 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 5 5 5 6 6 5 5 6 5 5 5 6 5 5 5 5 5 5 5 5 5 6 6 6 7 7 6 6 6 6 6 6 6 8 10 7 9 12 17 8 9 7 13 10 10 11 6 5 6 10 16 100 9 2 6 7 5 4 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6; 1HNMR: 59 59 q 1H J 13 \| 24 24 s 3H \| 21 21 d 4H J 13	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCN1C=CS/C1=C\C(=O)c1cc(Cl)ccc1OC	ir: 3 1 0 1 1 0 0 1 1 3 2 2 1 2 2 2 1 3 2 1 4 2 1 1 2 2 0 1 1 1 1 1 2 3 10 6 4 3 2 6 3 19 11 19 14 6 5 7 9 2 20 2 2 18 39 6 3 2 1 4 2 3 4 24 4 17 23 12 8 3 8 3 1 5 2 2 3 3 1 6 1 1 4 5 3 2 2 1 1 1 6 9 5 11 3 1 11 51 24 6 17 1 2 4 3 4 4 10 33 4 4 3 3 2 1 1 3 7 10 9 6 4 2 2 4 2 11 4 4 2 1 1 0 1 1 1 0 2 2 6 12 4 1 3 2 14 4 8 2 3 10 13 1 1 1 1 1 2 2 2 3 2 1 0 1 1 6 6 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 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 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 1 1 1 0 1 2 5 3 2 15 8 2 6 4 3 4 5 7 12 100 43 34 65 57 15 13 4 5 2 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0; 1HNMR: 79 79 d 1H J 24 \| 75 74 dd 1H J 25 87 \| 71 70 d 1H J 86 \| 68 68 dt 1H J 9 68 \| 64 64 s 1H \| 61 61 d 1H J 68 \| 39 39 td 2H J 9 64 \| 39 38 s 2H \| 16 15 p 2H J 64 \| 14 13 m 2H \| 9 9 t 3H J 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(Nc1cc(Cl)c(Cc2cc3ccccc3cn2)c(Cl)c1)c1ccc(C(F)(F)F)cc1Cl	ir: 2 3 4 2 7 3 6 10 2 2 5 4 6 3 4 3 3 2 2 4 4 19 2 2 6 6 8 8 4 4 2 3 3 2 4 2 2 4 3 1 4 6 7 5 5 1 3 1 1 2 4 2 3 3 3 7 1 1 1 1 2 8 4 1 11 2 10 21 13 10 14 3 2 1 3 12 2 2 1 1 1 8 2 5 9 27 4 11 5 1 2 1 5 5 0 4 32 4 6 15 9 3 2 4 27 17 4 2 1 1 1 1 3 27 6 2 1 1 1 3 2 7 5 4 3 12 3 3 2 2 6 6 3 4 5 6 4 3 24 9 4 2 2 17 3 1 1 1 2 2 4 2 1 2 7 3 1 0 1 1 1 7 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 0 1 2 2 0 4 5 5 100 39 12 3 3 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 10 21 9 3 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 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 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 90 d 1H J 19 \| 89 89 s 1H \| 80 80 d 1H J 121 \| 79 79 m 2H \| 78 77 dt 1H J 19 75 \| 77 77 m 1H \| 76 75 pd 2H J 15 70 \| 75 74 m 1H \| 72 71 s 2H \| 43 42 d 2H J 9	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CC(=O)C(CC(C)C)C(=O)OCC	ir: 8 5 4 12 6 8 6 8 10 6 4 9 10 7 5 3 2 5 4 1 3 4 5 7 1 1 1 1 1 2 2 1 1 1 1 1 2 2 1 1 1 2 2 1 1 1 1 1 2 1 4 3 1 2 2 2 2 2 2 1 1 3 2 4 3 3 1 1 1 1 1 2 4 3 6 4 4 3 3 1 1 1 1 1 1 1 1 1 1 1 1 2 4 2 3 5 5 4 3 5 3 4 3 4 5 3 4 4 3 3 3 4 7 4 6 5 4 3 6 10 14 8 7 7 9 7 7 22 19 22 17 12 9 4 8 7 4 3 3 4 3 8 9 56 100 78 17 7 5 1 1 3 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 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 2 1 2 2 3 2 4 7 5 4 2 9 9 6 15 24 14 5 1 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 43 41 m 4H \| 36 35 d 1H J 179 \| 35 35 t 1H J 86 \| 35 34 d 1H J 180 \| 19 19 ddd 1H J 78 86 132 \| 18 16 m 2H \| 13 12 m 6H \| 10 9 d 3H J 68 \| 9 8 d 3H J 69	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCCC1c1cncc(Br)c1	ir: 2 2 4 11 5 3 5 4 1 2 3 2 6 3 3 2 10 3 3 2 2 3 2 1 2 2 2 2 3 3 5 8 10 17 100 5 2 2 2 2 2 2 2 1 2 2 3 1 1 2 2 2 3 5 3 1 5 8 5 3 2 3 3 8 8 5 9 16 4 3 3 3 3 3 11 3 3 6 11 4 17 23 4 2 3 4 3 3 4 5 5 3 7 5 5 2 3 2 2 2 2 2 2 3 12 7 5 4 3 2 5 4 7 30 7 5 4 6 18 12 3 4 4 7 7 3 3 3 4 6 8 12 2 2 2 2 2 2 2 1 1 2 1 1 2 2 1 1 2 2 18 4 2 3 4 2 42 3 8 6 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 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 2 2 2 2 2 2 3 3 3 2 2 3 2 0 26 4 3 37 10 5 2 3 2 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 t 1H J 17 \| 84 84 m 1H \| 77 77 m 1H \| 34 33 dddq 1H J 7 15 37 59 \| 33 32 ddd 1H J 28 46 117 \| 24 23 ddd 1H J 28 46 117 \| 22 22 d 3H J 15 \| 22 21 ddt 1H J 50 63 125 \| 20 19 m 2H \| 18 18 ddtd 1H J 27 45 62 121	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	ir: 24 13 14 13 0 8 3 6 1 3 3 4 3 4 5 3 3 4 3 3 2 13 5 3 4 5 6 2 4 2 3 1 2 8 3 3 3 2 5 8 4 2 2 2 4 3 5 9 6 3 8 14 12 3 3 5 13 7 2 2 4 3 5 3 4 5 19 9 6 2 8 9 10 12 17 9 12 13 12 9 3 8 5 5 7 23 9 79 67 45 8 11 12 4 4 14 6 4 5 5 3 4 7 5 8 3 3 9 4 12 8 6 26 6 1 3 11 5 5 4 5 7 4 6 9 4 12 6 3 5 5 4 5 7 2 3 6 4 4 3 4 6 17 13 100 5 3 4 4 1 1 2 10 14 4 2 1 1 1 2 1 1 1 26 3 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 2 3 3 4 8 3 3 5 4 6 5 5 8 16 24 28 34 9 3 3 2 2 3 2 11 58 14 5 2 1 2 2 1 1 2 2 1 1 2 4 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 72 72 ddq 1H J 10 20 104 \| 64 63 dd 1H J 13 103 \| 61 61 q 1H J 9 \| 51 50 d 1H J 150 \| 49 49 d 1H J 150 \| 43 42 dddt 1H J 36 45 54 63 \| 40 40 s 1H \| 39 38 t 2H J 67 \| 33 33 s 2H \| 26 25 m 3H \| 24 23 dddd 1H J 9 49 77 143 \| 22 19 m 4H \| 19 18 m 2H \| 18 17 m 1H \| 17 17 m 1H \| 16 15 dd 1H J 65 138 \| 15 14 dddd 1H J 60 71 92 132 \| 14 14 t 3H J 12 \| 12 11 m 2H \| 10 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)OC(=O)N1C[C@@H](CN)Oc2c(-c3ccc(Cl)cc3Cl)cccc21	ir: 8 7 6 3 2 2 3 3 2 6 9 16 3 3 9 2 3 1 1 1 2 3 1 1 3 1 1 1 2 1 1 1 1 1 1 1 1 1 2 20 9 1 1 1 3 1 1 1 15 8 3 4 2 7 13 32 2 1 2 4 3 7 15 28 7 9 14 10 9 15 35 37 4 8 8 12 4 8 3 3 3 18 10 2 0 3 2 8 3 1 1 1 1 3 1 1 1 8 2 1 1 1 3 3 0 6 2 2 0 2 2 1 0 2 3 4 3 6 8 7 10 9 11 16 24 10 15 22 4 11 6 9 15 23 51 22 33 6 5 13 2 3 2 1 4 3 1 3 23 0 2 100 0 1 1 1 7 2 2 5 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 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 0 0 0 0 0 0 0 1 1 1 1 0 0 0 1 0 0 1 1 1 3 1 2 2 3 3 5 1 1 2 2 2 3 20 27 3 28 37 23 9 4 1 2 2 1 1 2 6 3 3 9 13 21 29 10 10 7 4 2 16 5 5 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 d 1H J 20 \| 75 74 m 2H \| 74 73 m 2H \| 73 72 t 1H J 77 \| 44 43 m 2H \| 42 41 dd 1H J 47 125 \| 33 32 dtd 1H J 46 67 121 \| 31 30 dtd 1H J 47 67 121 \| 16 15 t 2H J 67 \| 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)N(Cn1cc(Cl)cnc1=O)c1ccccc1	ir: 2 2 4 3 2 2 0 4 3 3 2 3 4 4 6 18 10 3 8 3 4 9 3 5 4 3 2 5 5 21 15 8 21 6 2 8 10 19 10 11 20 63 60 20 5 8 64 39 9 7 2 4 3 1 2 4 1 0 2 7 10 5 3 4 3 1 3 6 8 31 23 20 4 2 2 3 6 4 7 7 17 5 7 4 5 1 2 2 1 1 2 2 0 5 3 2 1 4 5 6 4 4 7 4 10 7 2 5 3 10 5 2 0 1 3 2 1 3 3 3 4 8 21 10 4 5 5 3 33 28 38 25 23 15 10 11 9 16 41 8 2 6 11 7 32 22 100 43 17 8 7 19 45 20 4 1 2 1 2 10 38 9 2 1 1 2 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 5 3 2 1 2 2 3 1 2 3 3 3 8 8 11 14 22 58 24 12 16 14 7 1 2 4 2 1 2 2 1 1 1 2 1 0 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0; 1HNMR: 84 84 q 1H J 10 \| 83 83 d 1H J 13 \| 73 73 m 2H \| 72 72 m 1H \| 72 71 m 2H \| 55 55 d 2H J 9 \| 22 22 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)NC1(CCc2ccc(-c3ccc(Sc4ccc(C)cc4)cc3F)cc2)COC(C)(C)OC1	ir: 0 1 1 1 1 1 7 3 2 7 6 2 1 1 6 1 1 1 2 7 1 3 1 0 0 1 1 1 1 1 2 4 100 56 5 0 1 1 1 1 1 2 1 0 1 1 1 0 2 2 5 1 6 20 40 11 6 9 1 2 9 1 0 1 2 2 1 7 2 12 7 4 1 0 1 1 1 1 0 0 0 1 1 1 10 2 2 3 2 2 2 5 3 4 4 2 1 3 3 3 2 1 1 2 2 8 4 1 1 1 1 1 1 1 1 1 1 4 2 2 4 3 3 5 2 5 2 4 1 2 3 2 1 1 1 2 1 1 5 15 1 1 2 13 34 19 71 6 3 6 2 2 12 2 1 1 0 1 2 4 1 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 1 3 1 1 1 2 4 5 4 4 7 20 18 38 16 9 3 6 1 1 1 1 1 1 1 0 0 1 1 0 1 1 0 2 5 15 17 11 3 8 2 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; 1HNMR: 76 75 m 3H \| 73 73 dd 1H J 22 70 \| 73 71 m 8H \| 66 66 s 1H \| 41 40 d 2H J 119 \| 38 37 d 2H J 119 \| 27 26 tt 2H J 9 77 \| 24 23 m 3H \| 21 20 t 2H J 76 \| 20 19 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.
CCOC(=O)CCc1c(C(=O)OCC)[nH]c2cc(Cl)ccc12	ir: 20 22 52 24 6 5 3 5 6 7 15 21 5 5 7 11 40 13 18 6 12 19 14 15 60 19 8 16 10 5 4 3 10 21 5 15 24 3 3 5 3 4 5 5 10 1 3 3 3 2 3 4 5 13 36 20 4 4 4 5 3 2 9 13 8 42 61 20 4 1 4 7 8 12 29 11 35 3 4 3 3 3 3 3 2 8 8 5 3 23 15 14 5 7 13 7 10 11 9 7 4 7 9 5 6 4 6 17 40 10 11 19 18 24 7 16 13 39 28 93 50 8 0 14 11 14 7 58 25 28 15 10 22 20 13 8 9 36 11 4 3 5 6 9 22 23 13 5 6 5 33 2 9 11 18 2 4 36 5 2 2 6 19 4 2 3 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 3 3 5 4 5 4 4 3 20 16 12 5 5 5 3 11 8 24 47 24 24 100 30 8 6 5 4 2 3 4 3 3 3 4 2 2 3 3 3 2 4 4 4 14 6 10 10 31 74 40 12 10 4 3 3 5 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 91 91 s 1H \| 77 77 d 1H J 85 \| 74 74 dd 1H J 22 84 \| 72 72 d 1H J 22 \| 43 42 q 2H J 64 \| 42 41 q 2H J 66 \| 40 39 t 2H J 86 \| 29 28 t 2H J 86 \| 14 13 t 3H J 64 \| 13 12 t 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1csc(NC=O)c1C#N	ir: 2 4 2 1 2 14 1 1 1 1 1 2 4 3 2 1 1 1 1 2 4 1 1 1 1 1 1 1 1 1 2 4 20 2 1 1 1 1 3 5 8 1 2 3 2 15 13 25 4 2 2 2 5 3 6 4 9 25 10 16 3 1 1 2 2 1 1 2 1 1 1 3 8 16 16 7 3 1 2 2 1 1 3 2 3 1 1 1 1 1 1 1 0 1 2 1 1 1 1 1 0 1 2 2 17 44 0 4 7 2 3 2 5 10 6 2 2 3 2 2 1 2 2 1 1 2 2 1 3 33 21 2 2 1 1 1 2 3 11 2 1 1 1 1 1 2 5 5 1 2 9 13 3 1 1 3 7 48 20 1 1 3 1 1 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 0 8 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 3 2 2 3 2 22 16 6 1 1 2 2 1 1 2 2 1 1 1 2 2 2 2 2 8 100 18 48 13 9 4 4 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; 1HNMR: 98 97 d 1H J 57 \| 88 87 d 1H J 57 \| 61 61 s 1H \| 42 41 q 2H J 62 \| 15 14 t 3H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@@H]1CC(OS(=O)(=O)c2ccc(C)cc2)CN1C(=O)OCc1ccccc1	ir: 9 12 12 6 7 20 18 10 23 11 16 11 21 4 3 3 3 4 2 2 1 1 3 5 9 1 3 1 1 6 2 15 2 2 2 1 1 1 5 18 16 8 26 8 6 3 2 1 5 6 4 5 9 6 2 1 1 2 1 0 2 2 6 2 15 44 15 15 7 10 5 2 2 3 3 12 6 5 3 2 3 26 2 3 36 5 2 2 32 10 3 5 1 20 10 2 2 4 2 4 7 1 1 3 4 3 4 9 8 13 3 4 6 6 1 2 3 5 4 5 6 3 10 12 10 18 6 2 2 1 2 2 7 23 6 11 3 2 0 1 2 1 5 24 11 30 8 10 3 4 2 12 4 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 2 1 1 1 2 3 2 2 2 2 3 3 5 5 15 11 32 100 25 20 4 2 3 2 1 1 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 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; 1HNMR: 77 77 m 2H \| 75 74 dq 2H J 8 83 \| 74 73 m 5H \| 54 53 tt 1H J 40 57 \| 52 51 s 2H \| 45 45 ddd 1H J 18 54 72 \| 42 41 dd 1H J 40 111 \| 40 39 ddd 1H J 17 39 111 \| 37 37 s 2H \| 25 25 dt 1H J 56 124 \| 24 24 d 3H J 10 \| 23 22 ddd 1H J 58 74 124	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

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