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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
CCN(CC)C[C@@H](O)COc1cc2nccc(Oc3ccc(N)c(Cl)c3)c2cc1C#N	ir: 3 17 15 40 19 12 15 13 2 9 10 7 15 6 6 7 13 17 9 19 5 5 6 14 5 3 5 4 6 4 3 5 4 4 6 5 7 4 6 6 8 5 6 7 5 3 4 7 5 6 13 9 8 7 25 8 5 12 5 3 4 3 4 4 5 4 9 12 39 9 15 20 11 6 10 12 10 7 7 4 9 10 5 6 4 4 7 11 15 25 29 32 7 9 5 4 6 7 9 8 7 4 6 4 4 3 3 5 3 4 3 4 3 3 5 9 4 5 5 3 4 4 3 4 5 3 3 3 4 3 3 3 3 3 4 5 8 3 3 3 3 3 3 5 3 3 4 5 3 5 8 5 7 8 10 53 20 24 10 22 2 6 12 3 3 1 6 0 2 5 3 1 3 4 2 2 3 4 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 2 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 2 3 3 2 4 3 3 3 3 4 4 3 3 4 4 3 4 5 7 7 11 29 43 4 5 6 3 27 100 24 8 6 3 3 3 3 3 3 3 4 16 5 3 2 3 3 2 3 3 5 8 12 54 6 5 3 3 3 3 2 2 2 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 2 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 87 87 d 1H J 48 \| 85 85 s 1H \| 75 75 s 1H \| 70 70 d 1H J 49 \| 70 69 m 2H \| 68 68 dd 1H J 22 84 \| 43 43 s 2H \| 42 42 dd 1H J 57 117 \| 42 41 m 1H \| 40 39 dd 1H J 58 116 \| 35 35 d 1H J 64 \| 28 28 dd 1H J 56 119 \| 26 25 m 5H \| 11 10 t 6H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCc2[nH]c3ccc(C(=O)O)cc3c2C1CCc1ccc(Cl)cc1	ir: 4 2 1 3 11 4 5 3 4 3 6 9 12 6 4 3 10 7 5 5 17 70 100 16 9 10 6 12 3 3 3 3 2 3 3 9 7 4 2 3 2 1 2 4 3 2 3 3 3 2 2 4 4 5 26 14 4 1 3 7 3 0 2 4 3 0 4 9 17 12 3 3 2 2 3 9 9 5 19 70 25 9 5 3 2 9 6 4 5 3 5 2 2 13 7 4 9 9 6 6 4 4 4 9 5 3 3 5 14 4 3 2 0 3 5 14 2 4 4 3 2 3 4 6 9 4 3 3 2 3 4 1 1 3 3 4 3 2 2 1 1 4 2 1 8 30 9 40 9 2 3 3 3 3 3 8 7 3 2 0 1 2 2 1 5 2 2 1 1 2 1 0 2 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 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 0 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 2 2 4 16 14 31 37 11 7 13 6 3 2 2 3 9 30 8 3 2 1 2 2 1 1 2 2 2 1 3 3 5 13 9 4 4 2 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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: 89 89 s 1H \| 81 81 d 1H J 16 \| 79 79 dd 1H J 15 75 \| 73 72 m 3H \| 72 71 dt 2H J 9 83 \| 38 38 tq 1H J 15 66 \| 32 31 ddd 1H J 30 49 114 \| 30 30 ddd 1H J 28 50 114 \| 29 27 m 3H \| 27 26 dtt 1H J 9 77 134 \| 24 23 d 3H J 15 \| 23 22 dtd 1H J 66 77 126 \| 21 20 dtd 1H J 66 77 126	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1sc(-c2ccccc2)cc1C(Nc1ccc(C(=O)N(C)CCC(=O)O)cc1)C1CCCCC1	ir: 3 3 1 2 4 2 4 7 10 10 9 2 10 5 4 2 3 2 4 9 7 9 8 12 13 6 3 3 3 1 7 6 3 6 5 8 10 17 13 9 9 17 4 3 3 2 2 2 2 2 2 1 2 1 8 7 21 6 5 4 2 1 1 2 1 1 2 5 3 4 2 1 3 2 3 2 1 5 6 15 6 3 5 3 2 1 1 1 2 7 2 1 1 1 1 4 1 2 1 2 1 2 2 5 7 7 4 2 1 3 2 6 3 4 4 3 7 4 3 8 4 5 5 10 5 10 4 3 2 2 3 7 5 4 3 12 9 7 7 12 4 5 11 27 11 8 12 6 5 3 2 3 8 7 2 1 1 1 1 0 0 1 1 9 4 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 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 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 0 1 1 0 0 1 1 1 1 2 1 1 3 2 2 1 1 2 2 1 3 4 6 4 6 10 30 13 7 2 4 4 4 10 100 39 4 2 2 1 1 1 1 2 2 1 3 3 7 31 35 22 4 4 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 78 77 m 2H \| 77 77 m 2H \| 75 74 m 3H \| 70 70 s 1H \| 67 67 m 2H \| 55 55 d 1H J 71 \| 46 45 m 1H \| 36 35 t 2H J 63 \| 30 30 s 2H \| 27 26 t 2H J 63 \| 24 24 s 2H \| 22 21 dp 1H J 55 68 \| 17 15 m 4H \| 15 13 m 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1c(-c2ccc(OC)c(OC)c2)cc(=O)n(C)c1=O	ir: 1 2 2 1 3 2 2 2 3 3 2 1 1 1 2 1 0 1 1 1 2 2 2 2 0 1 1 0 0 1 1 0 0 2 1 1 1 1 1 1 1 1 1 1 1 1 1 3 22 11 3 1 2 8 17 1 1 2 1 2 1 1 5 4 15 42 12 4 8 3 3 3 4 3 3 2 1 1 1 0 1 1 1 1 5 2 2 1 2 2 1 1 3 2 1 1 1 1 0 0 7 1 0 1 1 1 0 1 1 1 0 1 2 3 1 1 2 2 1 2 5 3 2 2 4 1 1 3 3 1 1 2 1 1 3 2 2 2 2 2 4 1 1 1 1 1 1 1 1 4 6 1 3 4 3 100 2 1 1 2 14 5 2 1 6 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 1 1 2 2 1 9 1 3 4 6 18 9 1 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 74 74 d 1H J 20 \| 72 71 dd 1H J 20 86 \| 69 69 d 1H J 85 \| 59 59 s 1H \| 40 39 q 2H J 77 \| 39 38 d 6H J 88 \| 33 33 s 2H \| 13 13 t 3H J 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(COc2ccc(C(F)(F)F)nc2)cc1	ir: 5 4 2 5 6 21 5 3 2 3 2 2 2 1 2 5 27 3 2 1 2 1 7 8 5 15 9 3 4 2 2 3 3 16 10 11 8 11 5 4 3 2 2 2 2 3 2 1 2 3 4 12 36 42 86 23 23 30 12 13 6 1 2 3 2 1 7 38 7 10 7 5 3 1 2 2 2 1 2 2 1 1 2 2 9 4 5 12 8 3 3 2 2 4 3 49 5 11 30 13 18 22 24 3 3 4 8 12 0 2 2 2 1 2 3 5 7 5 4 2 2 6 6 7 10 13 6 4 3 3 2 1 1 2 2 2 6 14 5 1 1 3 4 1 2 19 90 13 7 48 7 6 6 6 5 3 2 1 1 3 6 5 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 2 5 59 7 1 0 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 2 2 2 1 1 2 2 1 2 7 18 59 24 100 79 11 8 9 4 2 2 1 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 80 d 1H J 20 \| 79 79 m 2H \| 77 76 m 3H \| 72 71 dd 1H J 19 72 \| 52 52 t 2H J 9	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)=C1C[C@H](O)[C@H](CC2CCCCC2)NC1=O	ir: 1 2 1 6 1 1 1 2 1 2 1 1 2 3 5 3 7 3 2 1 16 4 1 5 13 2 5 41 8 12 5 4 4 17 2 2 1 1 1 1 9 19 14 17 3 2 1 1 6 8 3 6 5 2 1 0 1 5 3 1 1 1 1 0 1 2 1 1 1 1 0 1 3 6 3 2 2 2 1 4 13 3 2 1 5 24 97 100 4 0 2 2 0 1 1 1 1 1 1 3 2 2 3 4 6 2 4 2 2 3 7 7 4 5 6 6 3 2 4 3 3 8 4 3 4 2 2 1 2 13 5 3 3 6 4 5 10 3 4 3 5 2 1 1 0 1 1 1 0 1 1 8 13 3 2 6 23 10 1 1 1 0 0 1 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 1 1 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 1 0 0 1 1 0 1 1 1 0 0 1 2 1 4 2 1 2 3 3 3 2 1 4 3 2 3 16 25 6 2 1 1 1 1 1 1 1 2 39 10 3 1 0 1 1 0 1 1 1 1 1 3 6 8 15 13 10 13 3 1 1 1 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 72 d 1H J 80 \| 41 41 tdd 1H J 37 45 62 \| 40 40 d 1H J 60 \| 37 36 qd 1H J 46 78 \| 26 26 m 1H \| 25 24 dddt 1H J 10 20 64 161 \| 18 18 dq 6H J 12 151 \| 17 17 m 1H \| 17 16 m 1H \| 15 13 m 10H \| 12 11 ddt 2H J 59 86 130	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(COc2cccc(-n3cnnn3)c2)cc1	ir: 4 3 1 4 8 10 2 3 3 5 2 3 3 2 1 3 3 2 1 3 4 2 2 3 3 3 3 4 5 7 13 25 23 8 7 11 3 4 11 46 48 0 4 9 3 2 26 52 70 1 2 4 3 1 2 5 4 4 4 7 4 1 3 5 4 2 18 21 17 15 5 5 3 2 4 8 6 5 7 7 13 10 7 3 2 2 4 23 19 10 5 4 2 2 4 5 2 5 6 4 1 2 4 3 2 3 4 3 1 2 4 9 10 4 9 7 4 5 5 4 4 8 7 4 2 7 4 4 5 5 5 2 2 4 5 8 12 22 6 3 19 37 13 50 6 6 6 3 2 5 6 17 22 11 5 13 20 9 4 2 3 5 5 5 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 2 3 3 2 1 3 3 1 2 3 3 1 2 3 3 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 2 2 3 3 1 2 3 2 2 2 4 3 2 3 6 5 2 3 5 9 22 36 90 100 14 6 7 10 5 5 4 3 2 3 3 2 2 3 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 2 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 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 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 93 93 s 1H \| 74 73 m 7H \| 73 73 m 1H \| 73 72 t 1H J 21 \| 69 69 m 1H \| 51 50 d 2H 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)N=C(NC(=O)OC(C)(C)C)N1CCN(C(=O)OCc2ccccc2)CC1	ir: 12 19 40 14 23 16 2 27 25 28 37 20 20 12 5 6 3 2 7 8 4 6 3 5 7 3 5 5 7 7 23 9 19 10 18 12 16 12 18 9 25 14 16 15 7 12 18 11 7 5 6 7 10 1 7 5 14 5 5 3 3 9 9 9 6 1 4 1 1 3 1 1 1 1 3 2 3 4 5 4 1 1 2 6 10 2 1 2 4 3 2 2 1 2 2 2 9 7 16 6 9 4 5 1 2 1 2 1 2 4 6 17 7 4 1 48 1 14 7 12 7 21 10 4 2 4 5 9 14 24 33 19 10 8 10 41 14 15 30 67 14 3 2 21 9 12 27 100 14 53 42 24 28 42 74 29 9 8 5 3 2 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 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 1 0 1 1 1 0 1 1 1 0 1 1 2 2 3 5 2 0 2 3 5 0 2 2 3 4 10 42 50 14 19 19 22 8 5 0 2 2 2 1 1 1 1 1 1 0 1 1 1 2 3 3 5 12 13 57 36 16 10 4 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 0 0 0 1 0 0; 1HNMR: 74 73 m 4H \| 73 73 m 1H \| 66 66 s 1H \| 52 51 s 2H \| 38 38 m 4H \| 35 34 m 4H \| 14 14 d 18H J 37	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CCNC(=O)C2(c3ccccc3Cl)CC2)cc1C	ir: 2 4 2 2 4 5 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 3 4 5 12 4 5 2 18 3 2 6 8 11 9 6 10 7 5 3 4 11 11 10 4 7 10 8 2 2 2 2 4 5 13 7 3 1 2 2 2 1 1 3 4 2 2 4 5 4 2 2 2 3 5 1 1 1 1 1 1 0 1 1 2 2 16 4 4 4 4 2 4 4 2 1 1 1 2 3 3 4 1 1 1 1 1 1 4 2 4 3 1 1 1 1 1 2 1 3 3 3 4 3 3 1 4 4 2 5 5 8 11 5 2 3 5 9 2 5 9 7 3 9 11 24 27 100 96 19 37 15 2 5 3 1 1 2 1 1 1 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 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 1 0 1 1 0 0 1 1 1 1 2 2 2 1 2 1 2 1 1 2 5 4 7 5 9 19 46 58 20 11 7 6 2 2 2 1 2 1 1 1 1 1 1 1 2 3 3 7 22 11 8 19 8 11 6 2 1 2 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 74 72 m 4H \| 72 71 t 1H J 49 \| 70 69 dt 2H J 10 82 \| 68 67 dt 1H J 11 83 \| 38 38 s 2H \| 35 34 q 2H J 46 \| 28 28 tt 2H J 8 45 \| 22 22 s 3H \| 17 16 m 2H \| 14 13 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1c2c(cc3[nH]c(=O)ccc13)C1CNCC2C1)C(F)(F)F	ir: 12 3 2 6 9 4 2 12 3 3 3 2 2 2 2 4 2 3 4 22 37 12 3 5 2 3 3 4 2 2 3 5 2 10 2 6 4 3 17 5 4 0 23 32 30 35 7 11 7 48 7 25 20 6 5 16 11 0 16 34 3 3 10 26 11 3 13 11 2 3 9 5 8 16 10 6 2 1 2 2 1 2 2 2 1 2 2 2 2 2 2 3 8 8 11 6 46 23 25 7 2 6 30 10 4 3 5 5 4 4 4 4 43 27 4 5 4 6 7 4 6 3 2 2 4 3 4 8 28 6 4 1 1 2 3 4 2 3 2 3 8 12 20 14 11 11 3 2 2 3 4 19 38 11 21 2 2 2 11 1 2 2 2 1 43 68 7 3 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 3 3 2 3 4 3 4 4 7 5 7 19 18 8 14 14 3 1 2 3 2 1 2 2 3 6 4 2 2 1 57 22 9 12 27 33 100 38 7 5 2 2 2 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 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; 1HNMR: 85 85 d 1H J 102 \| 74 73 d 1H J 8 \| 64 64 d 1H J 101 \| 36 36 m 1H \| 34 33 m 1H \| 33 32 ddd 1H J 29 49 126 \| 31 30 m 4H \| 27 26 p 1H J 48 \| 25 24 dt 1H J 51 136 \| 22 21 dt 1H J 52 136	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(C2CC2)[nH]c2nnc(CCCCn3cc(C(=O)O)nn3)cc12	ir: 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 2 4 4 4 3 2 3 6 0 79 4 2 6 3 1 2 3 2 2 2 3 2 2 6 3 3 2 2 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 1 2 1 1 2 3 3 3 4 2 2 1 1 1 1 1 2 3 3 8 8 2 1 1 2 1 2 3 2 1 1 2 2 4 2 1 2 1 2 2 1 1 1 1 1 1 2 5 2 2 2 3 1 1 1 2 3 4 2 2 3 2 2 2 1 1 1 2 2 1 2 2 1 1 3 1 1 1 2 2 2 1 3 3 3 4 41 3 3 2 3 3 3 2 2 5 7 2 1 3 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 2 1 1 1 2 1 2 3 2 2 3 2 2 5 4 4 5 3 2 1 1 2 3 100 6 2 2 2 2 1 1 1 1 1 3 3 1 2 2 4 10 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 82 t 1H J 9 \| 81 81 s 1H \| 75 75 t 1H J 9 \| 43 42 m 2H \| 28 27 m 2H \| 23 23 s 2H \| 21 19 m 4H \| 18 18 p 1H J 45 \| 10 9 m 2H \| 9 8 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1nc(C)cc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c12	ir: 1 3 3 2 2 3 7 5 7 4 6 5 31 17 34 22 2 65 10 10 4 4 2 4 3 8 5 6 3 13 34 19 18 17 24 21 11 29 62 50 6 7 4 1 1 9 4 3 2 2 2 1 2 4 4 6 5 18 7 3 2 6 6 3 10 15 23 33 23 10 11 15 33 27 19 13 4 3 4 3 3 4 2 3 4 10 10 10 15 8 5 4 4 4 3 2 4 13 11 10 13 7 10 10 5 3 4 3 3 4 16 19 10 12 24 17 6 6 8 6 7 9 8 11 4 11 6 9 10 6 4 4 7 6 22 13 52 42 7 21 16 9 3 3 3 3 20 66 69 33 14 4 22 85 50 8 3 1 2 4 6 83 100 18 5 4 2 0 1 3 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 1 3 3 3 3 4 4 3 4 4 5 9 5 18 31 25 16 12 4 3 4 2 1 1 1 1 1 1 2 1 2 2 2 1 1 2 2 2 2 4 29 26 9 8 5 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; 1HNMR: 85 84 d 1H J 54 \| 77 76 dd 1H J 21 54 \| 74 74 s 1H \| 72 72 d 1H J 22 \| 40 40 s 3H \| 38 38 dd 5H J 48 56 \| 36 36 dd 4H J 47 56 \| 25 25 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)nc(-c2ccc(Cl)cc2)n1	ir: 1 1 1 1 1 1 1 1 2 2 1 1 1 1 10 12 6 1 1 4 1 1 1 1 1 1 1 1 1 1 1 2 1 1 3 9 71 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 10 20 2 3 1 1 1 1 3 4 3 1 3 7 1 9 11 2 8 5 2 2 2 2 1 1 1 1 1 1 1 1 1 2 1 2 5 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 12 4 2 2 2 3 2 1 1 2 1 2 3 1 1 1 2 1 0 2 2 2 52 28 16 3 3 1 5 10 4 1 2 3 3 2 14 100 2 1 1 1 4 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 2 4 4 5 6 20 39 12 4 2 1 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 m 2H \| 75 75 m 2H \| 67 67 d 1H J 8 \| 25 25 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1cncc(F)c1-n1ccc(I)n1	ir: 4 7 8 1 1 2 3 1 1 3 2 1 0 1 2 2 1 6 3 2 6 2 7 1 1 1 1 7 8 8 9 4 2 3 2 1 1 4 6 2 8 5 2 2 1 5 4 5 2 2 3 1 1 2 2 1 3 3 3 1 1 2 1 1 2 3 2 8 8 2 5 2 2 2 1 1 1 2 3 2 9 8 37 24 7 8 31 4 2 1 1 1 2 1 0 0 1 1 1 1 2 2 1 1 3 3 7 3 3 4 6 12 4 8 3 10 5 11 9 5 3 6 2 14 2 1 1 2 3 2 4 19 17 3 3 2 2 1 1 2 1 1 1 1 1 1 1 2 1 0 1 2 11 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 3 1 2 1 0 4 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 2 0 1 1 1 1 1 2 2 1 1 2 2 1 2 4 4 6 31 77 14 12 5 10 6 100 37 5 3 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 84 83 d 2H J 142 \| 78 77 d 1H J 27 \| 65 64 d 1H J 27	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(=O)Nc2ccc3ccc(Br)nc3n2)cc1	ir: 1 0 0 1 1 1 0 1 2 2 1 2 4 2 1 3 2 1 1 2 6 1 1 5 4 2 2 2 1 2 3 6 11 6 2 2 3 3 4 3 19 51 73 15 4 3 2 4 5 4 4 3 2 4 7 48 19 5 3 4 2 4 4 9 2 2 20 51 2 6 2 1 1 2 1 3 1 1 2 2 1 0 1 1 1 1 1 2 7 1 1 5 5 7 6 2 1 1 1 1 1 3 7 1 1 4 3 1 0 1 2 5 3 1 1 1 0 1 1 1 1 1 2 1 1 2 1 3 1 1 7 48 4 2 1 2 2 3 2 1 5 9 11 19 38 5 6 47 21 17 46 64 18 7 11 5 6 100 48 5 2 3 2 18 9 3 1 1 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 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 5 4 8 23 84 23 11 9 2 2 3 1 1 1 1 1 1 1 1 1 1 2 2 3 3 2 2 2 10 33 6 2 2 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 99 99 s 1H \| 83 82 m 1H \| 81 81 m 1H \| 79 79 m 2H \| 75 75 d 1H J 86 \| 75 75 d 1H J 86 \| 70 70 m 2H \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1=C(C(C)C)NC(C(C)C)=C(C(=O)OC)C1c1ccc(F)cc1	ir: 9 3 9 4 100 38 11 4 5 9 4 4 3 2 4 2 1 2 2 1 0 2 2 1 1 4 3 1 1 2 3 3 5 7 6 1 1 3 2 0 2 3 5 1 6 3 2 1 1 4 4 15 4 5 6 31 6 5 1 2 2 2 2 1 2 2 2 1 2 6 1 0 2 4 4 5 4 3 3 1 2 2 1 0 2 3 1 5 2 5 1 2 4 4 2 11 1 2 1 2 10 7 2 3 2 6 6 5 5 5 37 9 3 4 2 4 4 4 7 5 7 7 2 2 3 2 3 3 4 11 2 2 4 1 1 4 3 2 2 11 5 2 2 2 2 2 9 8 4 3 2 5 18 9 21 58 5 3 16 2 2 5 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 0 1 3 4 3 4 7 7 5 6 4 12 53 5 8 3 3 3 2 1 1 1 1 1 1 1 1 2 1 1 3 2 3 4 5 11 24 78 12 6 5 3 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 2; 1HNMR: 76 75 s 1H \| 73 73 m 2H \| 71 71 m 2H \| 49 49 q 1H J 9 \| 36 36 s 5H \| 30 29 pd 2H J 11 66 \| 11 11 dd 13H J 66 143	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNc1nc(SC)ncc1C=Nc1c(F)c(OC)cc(OC)c1F	ir: 9 7 4 1 2 2 4 5 8 4 4 2 5 2 1 3 9 6 1 5 5 3 2 3 3 2 2 2 2 4 3 3 2 4 4 10 7 10 31 61 45 7 9 5 3 3 3 3 6 2 4 4 1 1 1 3 2 9 5 3 2 1 2 3 6 4 3 11 6 2 4 3 5 7 4 3 5 10 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 1 1 0 2 2 11 4 6 3 6 4 3 5 9 10 9 12 5 3 5 7 6 14 6 3 6 3 2 4 2 3 24 3 2 1 1 2 2 3 4 13 3 1 1 21 67 100 13 4 6 4 4 1 2 5 19 9 8 6 17 4 4 6 49 21 5 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 1 1 1 1 2 3 11 8 9 7 20 13 7 1 2 1 0 1 1 1 1 1 0 2 1 1 1 1 1 2 3 6 7 12 43 6 26 12 3 1 5 5 1 1 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 0 0 0 0; 1HNMR: 87 87 s 1H \| 84 84 s 1H \| 66 66 t 1H J 44 \| 65 64 t 1H J 37 \| 39 39 s 5H \| 36 35 qd 3H J 36 66 \| 26 25 s 3H \| 14 13 t 3H J 65	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)n2cc(-c3cc(NC4CCCCC4)nc(N)n3)c3ccccc32)cc1	ir: 8 8 7 6 7 14 18 13 10 8 25 17 20 3 17 4 1 3 6 5 6 4 4 6 10 3 1 3 3 5 4 4 15 12 19 15 30 16 21 7 7 11 34 27 4 1 4 5 1 3 3 7 7 4 4 3 2 0 3 2 11 2 3 5 24 42 13 8 10 5 2 4 3 4 5 3 2 3 2 2 0 6 1 2 23 23 2 1 12 1 0 1 1 10 8 2 2 4 5 5 14 7 2 7 3 1 4 8 7 7 6 6 3 3 3 3 3 3 1 4 8 6 3 2 6 13 3 2 3 2 2 5 5 5 8 2 1 2 3 6 10 26 10 11 26 33 31 81 42 8 6 7 9 3 5 100 8 4 2 2 9 26 12 15 6 1 1 0 1 0 0 0 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 1 0 0 0 0 1 0 1 1 1 0 0 1 2 1 1 2 1 1 2 3 2 6 10 6 22 46 36 12 14 12 6 3 2 2 1 0 1 2 1 1 2 4 2 4 30 2 6 2 9 42 20 11 7 3 5 5 96 4 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 15 67 \| 80 80 m 1H \| 78 77 m 2H \| 76 75 ddd 1H J 11 65 75 \| 75 75 s 1H \| 75 74 ddd 1H J 13 72 82 \| 72 72 m 2H \| 67 66 s 1H \| 66 65 d 1H J 73 \| 59 59 s 2H \| 39 38 dp 1H J 51 73 \| 24 24 d 3H J 10 \| 20 19 dddd 2H J 51 59 84 134 \| 17 14 m 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1cc(C)ccc1N	ir: 6 11 3 14 35 17 16 15 8 50 33 31 29 15 18 8 4 8 11 18 7 4 8 6 3 2 4 3 1 2 5 2 3 3 2 1 2 3 5 3 2 1 3 1 1 3 2 1 1 3 3 10 13 8 15 2 2 1 3 1 1 2 2 1 4 3 2 4 4 2 4 2 5 3 8 4 7 6 3 3 1 0 1 1 0 1 6 1 1 2 1 2 2 2 2 1 1 1 0 1 3 5 4 2 1 8 2 1 1 0 0 0 1 1 0 1 1 1 1 4 11 15 16 6 5 5 4 2 2 2 1 3 10 11 20 9 5 3 2 1 1 1 1 1 8 8 6 4 2 0 5 10 26 44 35 6 26 31 20 5 1 1 3 2 2 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 10 18 7 7 3 4 2 2 3 1 1 2 1 2 2 2 2 2 3 12 20 12 3 7 33 24 28 19 21 9 13 100 44 83 3 2 1 1 1 1 0 1 1 1 1 0 1 0 0 0 0 0 0 1 0 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; 1HNMR: 67 67 m 1H \| 67 67 d 1H J 76 \| 65 65 d 1H J 24 \| 60 60 q 1H J 51 \| 36 36 s 2H \| 30 30 d 3H J 51 \| 24 23 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCCCC1C(=O)NCCc1cccc(F)c1	ir: 2 3 2 3 5 4 3 5 2 2 0 2 6 4 4 3 3 5 16 10 6 7 14 7 7 9 9 12 10 17 15 12 12 11 10 16 12 10 9 15 9 16 13 6 7 11 15 10 11 7 4 2 2 2 2 2 2 1 3 2 4 4 2 1 2 4 8 12 9 3 2 2 2 2 2 3 2 1 3 2 1 2 1 2 1 1 1 2 6 9 1 1 1 2 3 1 2 3 6 3 2 1 3 2 2 3 7 10 3 6 9 5 7 2 5 4 5 9 3 8 4 8 7 18 9 7 7 5 4 4 2 7 5 3 1 2 3 0 1 9 19 5 16 21 23 34 100 76 74 27 16 25 2 10 14 7 4 2 2 4 19 3 2 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5 5 2 4 5 5 6 7 7 17 13 8 18 37 19 6 2 2 2 1 3 2 1 1 2 1 1 1 2 3 2 3 9 10 13 18 44 37 12 8 4 4 2 3 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 1 1 1 1 1 1; 1HNMR: 73 73 td 1H J 50 78 \| 71 70 m 2H \| 70 69 m 2H \| 35 33 m 2H \| 33 33 m 1H \| 29 28 m 2H \| 26 26 ddd 1H J 60 80 150 \| 25 24 m 1H \| 20 19 m 1H \| 19 16 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Oc1ccc(C(=O)N(C)Cc2cccc(-c3ccc(CC4SC(=O)NC4=O)cc3)c2)cc1	ir: 8 8 6 8 5 5 4 5 3 6 9 7 2 8 2 8 9 12 3 4 4 3 3 7 3 14 8 3 4 5 5 28 11 14 12 9 11 10 16 29 8 4 5 12 15 24 57 81 45 15 10 4 16 8 26 54 88 38 32 2 12 9 5 2 4 8 9 7 22 27 5 4 8 5 2 1 2 4 3 1 5 5 1 2 3 3 8 9 34 13 4 4 9 6 2 24 11 7 19 11 11 9 9 31 24 8 4 3 4 3 3 3 7 25 8 14 10 13 19 25 23 32 14 52 38 18 18 10 9 11 10 11 16 8 14 10 8 4 3 9 27 20 65 41 93 55 17 15 26 43 14 60 25 10 4 21 8 10 73 8 5 1 19 8 2 0 2 3 2 1 1 3 1 0 2 3 2 0 2 3 1 0 2 2 1 0 2 3 1 1 2 2 1 0 2 2 1 0 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 0 1 3 2 0 1 2 1 0 1 3 1 0 1 3 1 0 1 3 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 5 2 3 3 4 5 7 6 6 8 13 12 10 6 12 23 78 100 41 24 11 7 7 5 8 5 3 3 2 2 2 2 1 1 2 2 3 2 2 2 5 49 15 4 1 2 2 3 1 1 2 2 2 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 0 1 2 1 0 1 2; 1HNMR: 77 76 m 2H \| 76 75 m 5H \| 75 74 t 1H J 79 \| 74 73 ddq 1H J 10 21 80 \| 73 72 m 4H \| 49 48 t 1H J 52 \| 46 45 t 2H J 9 \| 34 33 ddt 1H J 9 52 138 \| 31 30 ddt 1H J 9 52 138 \| 30 30 s 3H \| 23 23 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)N1CCN(CC2(c3ccc(OCCCN4CCCC4)cc3)CCCCC2)CC1	ir: 28 13 9 3 10 13 20 10 4 3 3 2 2 2 5 9 2 2 2 2 3 2 1 5 1 4 1 0 0 1 1 1 1 1 1 3 4 2 1 1 1 4 1 3 1 2 2 1 4 3 4 5 4 4 17 100 9 15 7 0 6 11 2 8 13 3 14 4 4 7 12 10 2 2 2 4 2 8 37 19 80 74 8 8 6 17 18 18 11 45 13 3 3 5 5 2 7 5 6 13 14 6 24 47 10 7 13 8 3 4 7 6 11 7 2 3 3 3 6 11 9 10 6 7 4 2 5 7 4 3 4 3 6 10 3 2 1 1 1 2 1 1 0 1 2 0 1 3 3 12 22 16 7 4 7 3 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 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 0 0 0 1 1 0 0 1 1 1 0 1 1 1 1 4 4 2 4 3 5 6 3 4 2 1 3 5 13 60 17 18 19 14 27 5 5 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 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: 72 71 m 2H \| 69 68 m 2H \| 40 40 m 2H \| 36 35 m 2H \| 31 30 m 4H \| 29 29 s 2H \| 28 27 m 4H \| 27 26 m 4H \| 26 25 t 2H J 65 \| 21 20 m 2H \| 19 18 m 6H \| 18 17 m 2H \| 17 16 m 2H \| 16 15 m 1H \| 15 14 dddd 3H J 18 29 67 79	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1-c1cccc(-n2cnc(C(=O)c3ccc(F)cc3)c2)c1	ir: 1 1 1 4 6 2 1 1 2 2 1 2 1 1 2 2 0 6 13 4 4 16 3 2 3 7 2 2 3 3 3 6 5 4 6 13 8 4 3 54 5 14 49 85 7 2 4 11 33 22 2 3 10 0 17 17 14 17 4 2 3 5 3 24 6 5 6 15 17 12 6 1 5 21 23 11 4 17 5 4 5 2 7 4 11 8 22 8 10 4 8 11 4 5 10 5 3 7 5 6 16 7 8 2 1 12 4 2 2 7 3 2 1 2 2 2 4 5 7 6 12 5 5 7 5 24 17 9 23 5 6 2 1 2 2 4 10 28 3 8 22 39 20 10 2 3 3 5 15 6 4 4 12 3 7 7 2 4 18 5 2 2 2 17 2 4 1 1 1 3 1 0 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 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 2 2 2 3 2 1 1 1 1 2 2 2 1 8 7 8 6 32 8 80 100 57 89 36 9 6 4 3 3 2 2 2 2 1 1 1 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 83 83 d 1H J 18 \| 83 83 d 1H J 16 \| 79 78 m 3H \| 75 74 m 7H \| 73 73 td 1H J 12 75 \| 72 71 td 1H J 11 76 \| 70 69 dd 1H J 12 76 \| 39 39 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1cc(F)c2c(=O)n(Cc3ccc(Br)cc3F)ncc2c1	ir: 2 3 4 2 9 8 8 2 1 6 7 3 4 2 4 4 3 2 22 17 12 9 5 4 2 3 3 3 1 3 3 2 7 3 3 2 2 3 2 2 4 5 6 13 3 3 2 1 6 9 17 2 3 7 18 16 7 5 3 0 10 4 5 1 3 7 9 73 13 14 3 2 3 3 3 2 2 2 2 1 5 3 2 1 2 2 3 2 2 4 19 11 36 12 2 2 4 3 1 1 6 3 1 2 2 2 8 26 5 3 4 2 3 4 1 3 6 16 3 5 13 5 4 10 7 15 16 7 10 5 4 6 5 2 2 3 3 1 2 9 3 2 15 6 4 100 4 3 9 3 6 6 4 3 2 7 5 1 2 63 8 4 2 4 6 11 2 2 2 1 1 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 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 3 3 2 3 2 4 3 2 2 2 2 2 3 11 8 5 24 68 40 15 6 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2; 1HNMR: 81 81 s 1H \| 77 77 d 1H J 23 \| 75 74 dd 1H J 21 121 \| 74 73 m 2H \| 73 72 dd 1H J 21 81 \| 55 54 dd 2H J 8 36 \| 14 13 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCNC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1	ir: 4 5 10 15 5 13 14 6 4 4 6 5 3 6 6 3 3 3 3 4 5 3 5 5 6 5 4 4 5 10 19 9 12 8 7 5 16 15 15 13 65 11 8 9 8 7 11 6 5 3 4 6 3 4 3 2 4 7 4 2 2 3 3 5 10 6 3 3 4 5 3 4 3 3 2 2 3 3 4 2 2 2 2 2 2 2 2 2 4 16 3 4 4 3 2 3 4 7 5 3 3 3 2 3 4 7 24 11 6 24 4 10 9 6 5 5 3 5 0 11 11 6 9 9 9 5 4 3 5 2 7 10 18 5 7 9 6 4 2 3 3 3 17 7 14 19 100 50 41 33 16 18 6 7 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 2 2 2 2 3 2 2 2 3 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 3 3 2 3 3 4 5 5 4 3 3 4 6 6 14 29 11 9 15 15 6 3 1 2 3 2 2 3 3 2 2 2 3 2 3 4 4 5 3 6 5 25 16 16 11 26 16 4 5 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 2 2 2 2 2; 1HNMR: 74 73 d 4H J 43 \| 73 73 m 1H \| 71 70 t 1H J 51 \| 52 51 s 2H \| 43 42 ddt 1H J 18 38 56 \| 36 35 m 1H \| 35 34 m 1H \| 32 31 m 2H \| 22 21 m 1H \| 20 19 dtdd 2H J 16 27 60 123 \| 19 18 m 1H \| 16 15 m 2H \| 14 13 m 4H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CCN(CCO)C1	ir: 13 14 15 12 13 16 20 16 19 18 5 6 7 7 7 8 7 3 1 4 8 11 1 3 2 2 2 1 1 1 1 1 2 1 2 2 2 1 1 1 3 2 3 3 2 1 1 3 2 2 4 2 2 2 2 5 5 2 3 3 2 4 3 3 8 6 3 2 3 4 2 2 1 1 5 10 12 8 12 35 7 3 2 3 7 11 55 100 7 22 13 14 6 3 4 9 5 4 6 3 1 2 4 3 12 7 5 3 1 1 2 1 1 2 2 2 1 2 2 3 2 2 3 3 1 2 2 1 0 1 6 2 2 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 2 2 1 3 1 1 1 2 3 2 7 8 0 1 1 1 1 1 2 2 5 30 66 21 9 6 3 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 41 40 t 1H J 63 \| 37 36 dt 2H J 54 64 \| 28 27 m 2H \| 27 26 m 3H \| 24 24 m 1H \| 19 17 m 2H \| 16 15 ddt 1H J 50 67 119 \| 9 9 d 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1csc(C(C)=O)c1OC(=O)C1CCCCC1	ir: 20 4 2 4 10 30 16 6 11 3 5 12 58 7 5 6 6 1 28 3 3 7 1 4 4 1 3 4 10 22 15 7 26 22 5 4 5 6 4 5 4 1 26 7 5 5 13 4 3 1 2 3 4 3 2 4 2 1 4 11 12 4 4 4 2 1 3 4 3 6 11 12 5 5 3 4 2 3 3 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 4 4 8 6 3 3 13 4 5 5 6 9 23 10 3 4 10 12 17 36 32 44 7 9 11 7 2 3 5 4 2 8 7 3 1 2 4 2 2 4 6 11 37 83 12 8 7 4 2 24 100 12 5 4 58 16 3 1 1 3 3 20 13 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 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 3 3 1 3 4 3 3 4 7 5 5 4 4 7 15 11 15 19 7 5 14 7 9 27 14 4 1 3 3 3 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1; 1HNMR: 80 80 s 1H \| 39 38 s 3H \| 26 25 s 3H \| 25 24 p 1H J 63 \| 19 18 dddd 2H J 48 67 82 148 \| 17 15 m 4H \| 15 14 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2nc(NC(=O)c3ccc(C#N)cc3)sc2Cc2ccccc2)cc1	ir: 3 3 4 4 4 2 4 4 5 3 2 6 12 13 10 4 3 6 5 3 1 3 6 4 2 2 2 2 3 5 6 6 6 3 5 3 5 6 10 9 21 10 20 5 2 1 2 3 2 2 13 20 3 3 6 15 41 43 19 5 5 2 3 6 1 1 1 6 9 16 6 3 5 1 1 2 1 4 4 1 1 3 2 2 1 0 1 2 3 9 5 3 4 8 1 2 2 3 5 5 3 2 2 2 1 2 5 2 2 4 23 5 2 1 1 1 1 4 3 3 2 3 3 2 3 3 10 12 17 5 2 5 9 9 29 22 13 5 6 3 13 9 4 20 20 16 5 4 2 25 8 32 39 16 7 5 1 1 1 1 1 1 1 0 1 2 1 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 1 2 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 2 2 1 1 3 3 2 3 3 2 3 7 4 11 18 24 24 100 41 28 4 4 5 2 2 3 2 1 1 2 1 0 1 1 1 2 2 3 1 3 3 26 18 8 5 3 2 2 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 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: 82 81 m 2H \| 80 80 m 2H \| 76 75 m 2H \| 73 72 m 2H \| 72 72 m 3H \| 69 68 m 2H \| 41 41 t 2H J 8 \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cccc(Oc2ccc(Cl)cc2Cl)c1	ir: 1 1 1 1 3 2 2 1 1 1 1 1 5 4 7 2 22 11 3 4 14 95 63 14 4 4 2 2 2 15 7 5 4 2 2 1 2 2 1 1 1 2 1 1 1 1 2 7 32 3 2 0 2 9 25 5 5 23 1 2 1 1 1 1 1 1 9 6 3 7 1 1 1 2 3 3 6 9 59 9 4 11 7 3 2 1 3 8 3 2 1 1 1 1 3 1 1 2 2 1 0 1 1 1 0 1 1 4 0 1 1 1 0 1 4 4 8 38 2 3 3 1 0 2 4 6 14 2 1 1 1 1 1 1 1 1 1 1 2 4 12 4 2 0 4 33 100 6 12 3 2 7 2 5 1 17 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 3 1 4 8 23 46 29 6 4 2 1 1 1 1 1 22 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 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 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; 1HNMR: 79 78 ddd 1H J 9 21 81 \| 75 74 m 2H \| 74 74 t 1H J 80 \| 72 72 dd 1H J 20 88 \| 71 71 ddd 1H J 9 18 81 \| 70 70 d 1H J 89	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc2c(N3CCNCC3)csc2c1	ir: 1 3 2 4 2 2 1 2 2 4 2 1 2 2 2 1 1 8 2 2 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 4 3 1 2 2 1 2 6 4 7 56 64 8 34 16 1 15 6 16 2 3 11 2 2 10 12 3 2 4 1 7 1 1 1 1 1 1 2 14 2 5 4 2 1 2 4 2 3 3 2 1 2 3 4 6 4 6 2 2 2 3 2 1 3 3 4 1 48 38 10 5 5 5 8 13 6 2 2 5 3 2 3 2 2 6 8 4 19 6 2 3 7 2 1 2 2 2 9 2 1 1 1 1 2 2 2 5 2 2 9 3 56 2 2 1 1 1 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 2 1 1 1 1 1 1 1 1 1 6 2 2 3 2 1 2 2 2 1 12 5 3 29 9 9 22 3 2 3 2 1 2 2 2 1 2 2 3 5 7 6 15 100 4 0 2 3 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 dd 1H J 51 79 \| 73 72 dd 1H J 22 121 \| 71 70 ddd 1H J 22 79 102 \| 70 70 s 1H \| 34 32 m 4H \| 31 30 m 4H \| 19 19 p 1H J 33	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1ccc(Nc2cc(C)nc(N)n2)cc1	ir: 2 2 1 2 3 2 5 7 6 4 8 4 5 5 9 2 2 3 5 6 3 5 5 5 3 2 3 3 4 3 6 2 4 10 7 17 15 32 16 5 4 8 3 5 3 1 3 3 1 2 2 1 1 3 4 3 4 4 3 2 3 4 2 3 3 2 9 3 6 7 7 5 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 2 1 3 4 3 1 2 2 2 9 5 1 1 1 1 1 1 1 3 1 2 2 1 3 4 13 7 6 2 1 2 2 1 1 2 1 1 2 3 2 3 9 6 2 12 41 12 100 23 9 3 10 13 3 2 5 2 2 4 37 8 1 2 3 10 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 2 5 3 18 11 2 1 1 2 1 1 2 1 1 1 1 1 1 2 3 3 13 14 8 2 4 5 5 17 11 8 1 2 4 60 4 3 2 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 \| 80 79 m 2H \| 78 77 m 2H \| 61 61 s 1H \| 57 57 s 2H \| 26 26 s 3H \| 22 21 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Brc1c(CCc2ccccc2)nc2n1-c1cccnc1Nc1ccccc1-2	ir: 5 3 9 2 1 2 10 2 2 11 1 3 2 2 1 1 5 4 12 3 9 3 1 1 3 1 1 2 6 7 5 6 5 4 1 3 2 1 2 5 11 3 7 39 6 3 2 0 1 2 2 1 1 2 6 1 2 2 1 3 1 2 11 4 10 1 2 2 3 4 2 11 2 2 3 4 2 3 4 2 2 2 5 3 2 4 15 2 7 2 1 1 4 1 1 2 4 13 3 1 1 6 1 2 2 3 2 2 2 7 1 1 1 1 4 2 2 1 0 1 2 1 2 1 2 3 6 4 2 3 3 6 15 12 1 11 3 17 9 5 7 13 4 36 29 1 3 100 4 22 3 15 1 4 6 10 4 2 2 2 1 5 4 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 5 7 30 73 38 10 4 5 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 3 8 12 7 9 5 3 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 83 dd 1H J 21 39 \| 81 80 dd 1H J 13 81 \| 79 79 dd 1H J 22 66 \| 75 74 m 2H \| 74 74 dd 1H J 15 77 \| 73 73 td 1H J 15 78 \| 73 72 m 3H \| 72 71 ddt 2H J 9 18 71 \| 32 32 t 2H J 73 \| 30 29 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OCCCCC/C=C(\c1ccccc1)c1cccnc1	ir: 4 2 5 8 7 3 2 1 4 6 5 4 2 4 2 2 2 4 4 7 4 5 7 2 2 7 4 9 7 5 5 10 6 10 51 5 4 4 10 12 9 51 32 6 4 2 2 1 1 2 1 1 1 0 2 3 5 6 3 3 30 56 16 10 13 10 16 12 13 15 21 14 7 8 3 2 2 7 6 13 5 2 1 1 1 0 2 4 1 0 1 1 1 1 2 4 4 3 2 3 11 13 6 4 4 4 11 10 3 3 4 4 60 9 1 2 5 5 11 18 13 12 20 8 16 4 15 11 16 8 8 2 2 3 4 33 5 1 1 25 7 7 11 30 47 8 8 5 2 3 4 13 38 27 10 4 4 4 1 0 3 6 12 5 1 1 1 1 0 0 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 1 2 2 4 5 5 3 2 10 3 5 4 9 10 25 34 18 43 100 50 12 9 5 7 4 6 2 2 1 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 m 1H \| 87 86 t 1H J 17 \| 78 77 m 1H \| 74 73 m 4H \| 73 72 m 2H \| 64 63 m 1H \| 41 41 t 2H J 62 \| 25 24 m 2H \| 21 20 s 2H \| 17 16 m 2H \| 15 14 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@H](C)Oc1nc(N)c2nc(OC)n(CCCCCN3CCCCC3)c2n1	ir: 2 3 2 5 2 3 6 6 0 9 7 3 4 3 1 3 3 2 2 5 4 3 6 5 6 11 4 5 5 5 3 9 5 2 11 7 5 8 17 7 12 9 9 4 4 6 4 4 9 7 2 1 3 4 8 2 3 4 2 7 3 1 4 8 3 2 3 4 10 8 8 5 8 1 2 1 1 2 2 4 15 7 11 3 2 2 2 4 2 2 2 4 4 3 4 2 2 4 3 3 9 4 8 7 7 35 5 36 35 35 20 9 11 20 20 13 14 27 39 20 34 12 9 13 8 6 5 27 5 6 2 3 9 11 18 4 2 1 0 2 2 2 2 5 7 7 3 1 1 1 1 1 8 5 1 1 1 1 1 0 1 1 3 13 2 1 2 13 15 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 1 0 1 1 1 0 1 1 1 1 1 2 3 0 16 4 5 9 36 14 21 14 14 8 14 12 30 33 100 10 4 7 16 5 4 1 2 5 1 1 1 0 1 1 2 3 16 16 3 1 2 1 1 18 45 4 4 1 0 1 1 1 1 1 1 0 1 1 1 0 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 70 70 s 2H \| 46 45 m 1H \| 43 42 t 2H J 77 \| 40 39 s 2H \| 25 24 m 6H \| 20 19 tt 2H J 60 77 \| 19 18 m 1H \| 17 14 m 15H \| 10 9 td 3H J 16 80	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=N)C(O)c1cccc(C(F)(F)F)c1	ir: 3 4 3 6 3 4 5 5 3 4 3 2 3 2 2 1 4 3 3 2 1 2 2 1 1 4 11 9 9 8 11 28 27 51 32 31 47 72 75 49 53 11 8 9 6 27 60 10 16 2 2 5 4 11 12 11 7 2 2 3 2 2 5 2 6 3 22 8 14 33 5 7 6 13 11 19 7 3 38 50 21 9 9 11 8 10 10 51 58 87 65 17 22 7 5 4 4 9 30 13 16 32 14 8 1 3 5 3 2 9 15 22 47 11 11 4 7 15 13 6 13 10 16 13 3 17 10 12 20 12 17 4 6 4 1 1 1 2 2 2 35 9 11 36 60 19 5 2 1 2 2 0 1 6 1 1 4 3 1 1 1 3 2 2 2 2 2 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 2 0 2 3 1 1 1 2 1 0 1 2 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 2 2 1 1 1 1 1 2 4 4 2 3 3 1 3 5 7 3 3 7 4 5 2 7 9 7 5 16 31 51 12 12 6 10 43 52 83 100 85 32 18 4 6 15 80 90 40 16 2 2 2 3 2 2 3 3 4 2 3 4 2 2 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 76 76 m 1H \| 76 75 ddd 1H J 14 23 104 \| 75 74 dd 1H J 77 103 \| 74 74 m 2H \| 50 49 dd 1H J 9 48 \| 42 41 m 2H \| 37 36 d 1H J 48 \| 13 12 t 3H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(-c2cccc3c2OC(CN)C3)c1	ir: 0 0 0 1 0 0 1 0 0 0 0 0 1 0 1 1 0 1 1 0 1 1 0 0 0 0 0 0 0 1 2 1 1 1 1 1 1 0 0 0 0 1 1 0 1 6 19 2 3 1 7 3 0 2 1 1 2 4 7 2 1 1 1 2 3 2 4 6 5 3 5 3 15 11 6 4 3 2 1 2 1 3 5 3 2 1 1 1 0 1 1 2 2 1 1 1 2 0 0 0 1 0 0 0 1 1 0 1 0 1 0 0 0 0 0 1 1 1 0 1 1 2 2 2 3 3 5 3 2 3 3 1 4 10 5 5 4 3 2 8 4 2 1 1 1 0 0 1 0 0 0 1 3 6 6 1 2 8 0 0 0 1 2 5 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 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 1 1 1 1 3 4 5 7 7 2 2 2 1 1 1 0 1 2 1 1 4 10 14 9 4 4 2 0 5 100 27 3 1 1 2 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 dd 1H J 23 67 \| 74 73 t 1H J 78 \| 73 73 ddd 1H J 13 22 77 \| 72 72 m 2H \| 72 71 t 1H J 21 \| 70 69 ddd 1H J 13 22 79 \| 49 48 tt 1H J 27 44 \| 39 38 s 2H \| 33 32 m 2H \| 31 30 m 2H \| 18 18 t 2H J 65	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1[nH]c(=O)c(-c2csc(-c3ccncc3)n2)cc1NC(=O)CN(C)C	ir: 4 4 4 4 2 9 12 4 9 5 3 3 2 6 3 2 1 1 2 4 3 3 6 5 3 8 7 7 5 6 4 8 2 3 5 2 10 3 3 1 1 2 2 3 5 9 7 9 15 10 46 5 18 24 10 2 9 16 8 4 5 11 7 6 20 46 3 3 5 9 12 6 12 6 23 7 3 7 23 2 3 4 2 3 5 5 10 7 6 4 1 4 10 9 4 7 10 7 5 7 11 4 4 4 3 9 9 2 3 1 3 6 3 3 3 2 4 3 3 4 3 3 1 3 4 3 4 3 5 4 11 4 4 4 1 6 3 1 1 3 3 5 21 9 11 4 5 9 18 6 4 4 5 4 54 20 100 40 12 3 37 2 2 2 2 1 1 2 3 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 0 1 1 1 0 1 1 1 1 1 1 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 1 3 2 1 3 2 2 4 6 10 5 0 31 9 16 7 4 3 2 1 2 2 1 1 1 1 2 1 2 3 2 2 3 5 9 48 49 20 5 5 3 4 2 4 3 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 89 89 s 1H \| 87 87 m 2H \| 79 79 s 1H \| 78 77 m 2H \| 75 75 s 1H \| 34 33 s 2H \| 26 25 q 2H J 66 \| 25 25 s 6H \| 11 10 t 4H J 66	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(Cn2nccn2)CC1	ir: 9 4 6 8 11 6 16 21 11 31 72 31 4 5 5 1 2 1 1 2 2 2 2 1 1 1 1 1 1 1 1 1 0 1 1 0 1 4 7 75 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 3 4 3 3 3 5 7 4 3 2 0 1 1 1 3 1 1 2 2 1 1 0 0 1 3 2 0 0 1 1 1 2 2 1 1 1 2 6 14 3 3 1 3 3 3 2 2 3 6 6 11 5 5 4 6 4 6 5 9 17 6 4 8 16 25 7 20 33 28 6 8 10 14 12 7 15 20 5 5 16 20 14 8 9 7 4 3 1 1 1 0 1 4 2 2 28 100 4 2 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 1 1 1 1 1 1 1 2 3 5 4 4 4 3 2 4 4 3 5 9 10 17 33 4 1 1 3 1 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 s 2H \| 39 39 d 2H J 43 \| 38 37 ddd 2H J 50 76 125 \| 35 34 ddd 2H J 49 78 125 \| 23 22 dddd 2H J 50 63 77 115 \| 21 19 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.
CC(O)c1cnc2c(Cl)cc(F)cc2c1Cl	ir: 2 3 3 3 2 3 2 4 4 3 4 4 7 3 3 3 2 3 3 3 3 11 3 5 3 3 3 2 2 3 3 2 2 2 2 1 2 3 2 1 2 3 2 1 2 4 3 0 3 8 5 25 23 6 5 5 3 2 2 4 2 2 3 2 4 29 10 14 11 2 4 6 5 3 3 4 3 3 3 3 2 2 2 3 3 3 4 3 5 9 100 58 57 7 8 4 2 2 4 4 3 2 4 3 1 2 5 4 3 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 3 4 5 4 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 5 6 9 4 26 9 18 1 2 3 3 7 2 2 3 7 2 2 2 1 2 3 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 4 4 5 9 10 9 5 3 4 4 2 47 15 26 8 3 3 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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; 1HNMR: 87 86 s 1H \| 80 79 dd 1H J 22 121 \| 74 73 dd 1H J 22 121 \| 53 52 m 1H \| 37 36 d 1H J 57 \| 17 16 d 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(-c2cccnc2)c(CCCCCC=CC(=O)O)c2ccccc21	ir: 1 1 4 9 3 1 2 3 2 3 3 4 0 2 2 1 2 2 2 2 5 8 100 18 5 2 4 3 3 3 3 3 4 3 3 3 13 2 2 2 7 6 10 13 6 3 3 2 3 1 2 3 3 2 1 2 2 2 1 1 1 1 2 3 3 2 2 2 3 1 4 1 2 2 2 6 6 7 61 4 7 2 2 1 2 2 2 2 10 2 1 1 1 1 1 1 1 4 1 1 1 1 1 2 1 2 2 4 3 3 4 4 19 4 1 1 2 2 1 3 4 6 1 2 2 3 4 2 2 2 2 3 11 2 2 5 3 2 3 4 18 3 2 2 3 8 6 4 2 1 1 9 1 2 2 1 1 1 1 2 5 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 3 1 2 1 1 1 2 3 2 3 3 12 9 8 12 3 1 1 1 1 1 1 2 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 86 dd 1H J 17 48 \| 86 85 d 1H J 20 \| 79 79 dt 1H J 19 70 \| 77 77 dd 1H J 15 72 \| 75 74 dd 1H J 48 68 \| 74 73 m 2H \| 72 71 m 2H \| 60 59 dt 1H J 11 154 \| 38 37 s 3H \| 31 30 t 2H J 73 \| 22 21 tdd 2H J 12 56 81 \| 17 16 p 2H J 70 \| 15 13 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=Cc1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CCC[C@H](N)C1	ir: 0 1 3 2 1 0 1 3 1 1 0 0 0 0 1 3 0 0 0 0 1 0 0 1 2 1 1 1 2 1 9 5 5 100 6 1 3 1 1 1 2 3 2 2 1 1 1 2 0 3 1 6 3 1 5 10 3 1 2 2 2 5 15 5 3 4 23 5 3 9 3 5 5 2 1 11 2 1 1 2 2 17 3 2 2 3 1 1 2 7 3 1 1 1 2 2 1 2 4 1 1 1 1 1 2 8 2 2 2 3 1 2 4 4 1 0 1 1 2 1 1 2 3 5 2 2 4 10 12 4 5 12 32 3 2 5 10 10 10 30 7 2 3 1 0 1 14 1 1 0 2 3 4 3 8 1 8 1 1 3 4 0 3 1 2 3 4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 7 0 1 2 1 1 7 9 12 5 1 0 2 1 1 1 1 0 1 2 3 3 16 5 6 3 2 1 2 14 21 6 2 7 7 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 94 94 s 1H \| 93 93 d 1H J 20 \| 87 86 dd 1H J 17 48 \| 84 83 dt 1H J 18 84 \| 83 82 s 1H \| 79 79 d 1H J 75 \| 76 76 d 1H J 76 \| 74 73 dd 1H J 48 85 \| 71 70 dd 1H J 116 170 \| 56 56 dd 1H J 24 170 \| 54 54 dd 1H J 24 115 \| 37 36 dd 1H J 23 138 \| 36 35 m 2H \| 35 34 dd 1H J 51 139 \| 32 31 m 1H \| 20 19 m 2H \| 18 17 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(CC)n1c(=NC(=O)c2ccc(F)cc2N)sc2ccccc21	ir: 6 6 16 9 2 3 8 4 3 6 6 6 8 11 3 12 9 8 6 10 7 8 9 15 28 36 28 36 8 5 5 9 9 4 3 2 4 4 5 11 19 39 35 13 24 10 13 9 8 6 4 3 7 5 5 6 11 4 5 4 3 8 4 9 6 7 11 18 6 5 7 4 4 4 2 10 9 4 4 6 9 8 12 14 4 3 5 3 5 12 4 3 3 3 3 5 11 5 2 2 3 3 5 2 4 3 2 7 5 8 8 12 16 8 15 7 15 9 8 10 6 4 8 8 6 6 5 5 6 4 3 2 2 3 3 2 10 31 4 5 9 16 9 100 75 19 12 7 5 11 8 6 21 26 9 10 22 67 36 13 12 6 7 75 7 3 2 4 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 1 1 2 2 2 1 2 3 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 2 2 2 2 3 3 2 2 3 2 4 4 6 6 3 4 7 6 6 21 11 11 52 42 10 8 6 4 3 3 3 2 2 2 2 2 1 2 4 11 81 96 7 4 4 1 1 3 6 7 19 13 29 100 23 9 5 2 2 2 2 1 2 2 2 2 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 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 1 1 1 2; 1HNMR: 78 77 dd 1H J 50 83 \| 77 77 dd 1H J 18 74 \| 74 74 dd 1H J 15 72 \| 73 73 td 1H J 18 76 \| 73 72 td 1H J 15 76 \| 71 70 ddd 1H J 22 82 102 \| 70 69 dd 1H J 22 121 \| 65 65 s 2H \| 50 49 tq 1H J 15 64 \| 42 41 m 2H \| 23 21 dqd 1H J 65 78 123 \| 20 19 dqd 1H J 66 78 123 \| 13 12 t 3H J 64 \| 11 10 td 3H J 15 78	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(N3CCOc4ccc(-c5cnc6[nH]ccc6c5)cc4C3)nc(C)nc2c1	ir: 3 2 8 6 7 1 1 5 5 4 3 2 4 1 1 1 2 7 2 7 4 4 7 43 19 9 8 7 22 10 4 4 3 2 5 5 3 5 4 13 8 15 9 2 4 3 5 13 37 26 14 2 3 4 13 3 5 12 6 4 3 9 3 3 3 14 12 23 38 6 2 2 3 6 3 2 1 2 2 13 2 2 6 16 3 2 3 5 4 5 18 16 10 9 10 4 7 10 6 3 3 2 1 1 1 3 2 2 2 3 1 4 9 3 4 5 5 4 6 5 2 4 1 7 9 7 4 4 5 6 4 2 2 2 2 1 4 2 4 24 17 29 31 27 9 2 2 3 7 2 13 12 32 31 16 34 15 11 3 3 2 1 1 1 3 4 57 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 3 2 2 2 5 2 1 3 4 7 8 22 95 100 31 17 6 8 4 2 0 1 2 1 0 1 1 1 1 1 1 1 2 2 9 3 3 4 12 39 3 2 2 1 1 1 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 d 1H J 64 \| 86 85 d 1H J 18 \| 85 84 t 1H J 19 \| 82 82 d 1H J 95 \| 76 76 dt 1H J 9 20 \| 74 74 dd 1H J 21 85 \| 72 72 d 1H J 22 \| 71 70 m 2H \| 69 69 d 1H J 85 \| 68 68 dd 1H J 22 49 \| 46 46 d 2H J 7 \| 43 43 t 2H J 65 \| 38 38 s 3H \| 38 37 t 2H J 65 \| 25 25 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Cc1ccc(C(C)C(=O)Nc2ccc(CN(C)C)cc2)cc1	ir: 4 4 5 4 3 5 6 9 7 5 3 6 6 10 4 3 3 5 2 4 3 4 4 6 5 6 4 7 7 9 7 12 9 7 3 6 5 20 28 13 12 39 31 12 20 21 23 12 7 13 11 6 24 34 33 29 49 13 17 3 3 4 3 6 8 3 2 6 3 28 7 6 3 2 3 3 5 3 9 5 3 1 2 3 2 4 4 17 7 4 17 25 18 11 41 14 8 15 25 11 6 5 6 17 67 7 0 5 4 5 6 3 11 6 4 4 6 2 9 9 7 6 5 9 7 9 10 7 5 9 11 19 5 3 1 3 2 1 2 2 3 3 14 12 5 7 21 10 45 54 46 45 36 34 15 6 4 4 2 1 2 2 11 6 2 2 2 2 2 2 2 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 2 1 1 2 2 3 3 3 3 2 2 2 2 2 3 6 5 6 5 12 15 19 51 100 40 12 8 7 5 5 4 3 3 4 2 3 3 3 2 2 2 2 3 6 8 15 35 61 15 6 4 2 2 2 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 89 88 s 1H \| 76 76 m 2H \| 73 72 m 4H \| 71 70 dp 2H J 9 78 \| 39 38 m 1H \| 36 35 t 2H J 9 \| 25 24 dt 2H J 9 70 \| 23 22 s 5H \| 19 18 dp 1H J 70 139 \| 15 14 d 3H J 66 \| 9 9 d 6H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC1CCN(c2ccc(NC(=O)OCc3ccccc3)cc2F)C1	ir: 10 3 14 6 2 4 2 2 5 11 3 2 1 1 1 1 1 4 17 7 4 6 4 2 8 7 5 6 4 5 16 21 39 42 12 12 4 7 11 25 34 9 8 3 2 4 3 5 2 2 4 4 5 3 34 7 7 12 3 1 3 10 5 1 4 10 35 21 12 8 2 1 2 3 1 2 2 3 8 2 2 2 1 1 8 4 6 5 10 16 3 5 9 17 4 6 9 19 6 3 3 7 18 11 17 19 27 9 5 5 0 2 3 5 2 1 3 2 1 3 3 1 5 5 5 6 5 6 4 1 1 1 3 2 4 18 5 1 2 1 2 3 15 22 97 7 20 9 10 51 26 12 45 68 21 12 5 1 2 2 2 2 2 2 5 0 1 2 1 1 1 1 1 0 1 2 1 1 1 6 3 1 1 1 1 0 1 1 0 0 1 1 1 1 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 1 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 1 1 1 1 1 2 1 2 1 2 3 4 3 4 3 4 4 8 6 10 8 12 21 81 44 8 7 3 3 6 5 1 2 2 1 1 1 2 1 1 2 1 1 2 1 2 11 100 20 7 5 2 2 2 1 1 1 1 0 0 1 1 0 0 1 1 0 1 2 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 75 74 m 2H \| 74 72 m 6H \| 71 70 dd 1H J 47 85 \| 52 51 s 2H \| 40 40 dd 1H J 26 107 \| 38 37 dd 1H J 26 107 \| 36 36 ddd 1H J 37 55 115 \| 35 34 ddd 1H J 38 57 115 \| 34 33 m 1H \| 21 21 ddt 1H J 35 54 115 \| 19 18 ddt 1H J 37 57 117	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1nc2n(c(=O)c1O)CCOC2C	ir: 6 2 2 7 3 3 3 2 12 5 6 5 6 7 11 13 14 12 15 19 38 32 36 27 12 6 5 4 8 4 6 3 79 88 9 6 5 2 6 3 3 3 2 3 3 1 2 20 27 4 6 5 3 2 2 3 2 6 4 7 2 4 2 2 6 2 2 4 5 15 3 4 9 4 7 19 8 2 6 2 2 2 5 7 2 6 5 10 7 13 4 1 3 2 1 4 6 11 9 15 9 50 43 6 8 12 42 3 2 3 6 16 4 5 1 3 2 4 4 10 27 6 4 3 7 6 16 4 10 2 3 3 3 1 2 14 3 1 3 2 0 1 1 1 0 2 1 0 4 55 100 3 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 3 2 2 3 3 2 2 4 13 14 4 2 3 1 1 3 17 59 18 7 2 3 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 93 92 s 1H \| 46 46 q 1H J 55 \| 44 43 q 2H J 71 \| 43 41 m 2H \| 41 40 ddd 1H J 40 64 106 \| 39 38 ddd 1H J 41 60 105 \| 13 13 d 3H J 55 \| 11 10 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C1COc2ccccc2C1	ir: 2 1 0 1 2 2 1 3 3 9 9 3 11 8 2 5 6 6 6 10 19 69 49 63 14 7 3 15 1 1 5 4 3 4 2 5 1 1 1 3 15 14 14 12 10 2 1 2 1 1 1 1 2 1 1 3 1 0 1 1 1 0 2 4 4 2 1 2 5 5 2 3 1 2 4 5 3 10 50 5 10 4 3 4 6 4 3 3 7 9 4 2 11 1 1 4 4 8 1 1 2 2 1 1 1 1 2 5 2 6 2 3 3 1 0 2 3 4 6 8 6 5 2 3 2 2 2 2 2 5 3 1 0 1 2 0 21 2 6 5 3 7 23 11 13 16 3 2 2 12 4 1 1 1 1 1 0 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 0 0 0 0 1 0 0 0 1 1 1 1 1 2 2 3 2 2 2 2 6 4 6 4 6 32 3 23 17 3 1 1 2 1 32 48 8 100 4 1 0 1 2 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 1 0 0 0 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; 1HNMR: 72 71 m 2H \| 71 70 ddd 1H J 11 75 83 \| 68 68 dd 1H J 12 79 \| 45 44 dd 1H J 53 114 \| 42 41 dd 1H J 54 113 \| 34 33 ddd 1H J 9 75 148 \| 31 31 ddd 1H J 8 76 148 \| 30 29 tt 1H J 53 75	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCOc1ccc(COc2ccc3c(c2)CC(CC(=O)O)C3OC)cc1	ir: 2 2 9 2 3 5 10 27 11 5 5 10 7 7 4 4 16 5 8 24 96 23 6 6 5 4 5 3 1 1 3 2 2 3 2 1 2 2 1 2 4 3 3 2 3 5 9 6 3 6 10 20 25 59 67 11 14 6 4 3 3 4 5 3 3 10 12 21 9 21 10 3 4 4 2 3 7 10 59 21 9 4 6 3 5 4 14 10 8 3 4 8 2 4 9 4 2 8 6 6 8 2 2 2 2 3 8 7 3 5 3 1 1 3 3 4 2 6 8 14 2 7 7 11 6 4 7 8 3 3 3 6 5 3 2 2 2 2 2 2 1 13 36 22 7 2 2 10 54 7 10 14 10 9 5 1 1 2 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 3 8 4 2 4 2 1 3 3 7 16 25 44 21 82 72 7 7 8 4 2 2 4 68 100 9 4 1 0 3 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 73 73 dt 2H J 9 86 \| 71 70 dd 1H J 7 84 \| 69 68 m 2H \| 68 68 dd 1H J 22 84 \| 68 67 dt 1H J 8 20 \| 50 49 t 2H J 8 \| 48 47 m 1H \| 40 40 m 2H \| 34 34 d 3H J 15 \| 31 30 ddd 1H J 8 68 141 \| 29 28 m 2H \| 27 26 m 1H \| 25 24 dd 1H J 75 163 \| 18 17 tt 2H J 62 75 \| 15 14 dq 2H J 70 78 \| 14 12 m 6H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCCC2CCCC2N1	ir: 1 1 2 1 1 2 2 1 1 4 0 2 2 3 2 2 2 7 2 2 2 4 6 2 2 2 2 2 2 2 2 3 11 18 8 3 4 3 4 3 5 2 3 2 2 3 8 5 2 2 4 4 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 1 2 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 3 4 5 3 2 3 3 5 4 3 2 3 3 2 3 4 4 2 3 6 4 2 3 3 3 3 2 2 2 2 2 5 7 5 5 5 3 2 2 2 1 1 2 2 2 2 3 3 2 2 4 57 100 15 3 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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 2 2 2 2 2 3 2 3 2 3 2 6 9 2 2 2 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 2 1 3 7 15 18 11 6 5 4 2 4 4 3 2 2 2 2 1 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 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; 1HNMR: 67 66 d 1H J 70 \| 37 36 ddt 1H J 37 53 72 \| 23 22 m 2H \| 19 14 m 11H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CN(Cc1cnc(-c2cccc(S(C)(=O)=O)c2)s1)S(=O)(=O)c1ccccc1Cl	ir: 1 2 3 3 3 4 6 9 7 10 9 29 14 26 16 10 8 6 11 13 11 2 2 2 2 1 1 1 2 2 5 4 12 17 22 9 5 8 11 15 12 5 28 54 7 2 4 5 3 2 2 3 3 5 2 2 5 4 2 2 3 3 7 3 5 25 24 36 13 4 3 4 2 3 5 3 7 6 5 7 10 9 4 4 19 19 32 36 100 98 48 34 10 11 9 8 15 2 12 13 11 8 2 3 2 1 1 2 1 7 2 3 4 9 5 1 2 5 5 3 3 3 5 9 15 12 39 7 2 3 2 2 1 1 2 2 9 2 12 3 2 10 3 2 1 1 1 0 19 2 1 1 1 1 1 1 1 1 4 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 0 1 1 1 1 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 2 2 1 1 2 3 4 5 13 59 8 19 36 26 2 4 0 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1; 1HNMR: 82 81 t 1H J 21 \| 81 80 ddd 1H J 11 22 82 \| 78 78 dt 2H J 16 84 \| 76 76 m 2H \| 76 75 t 1H J 9 \| 75 74 m 2H \| 45 44 d 2H J 7 \| 32 31 m 5H \| 20 19 dtt 1H J 56 70 139 \| 9 8 d 6H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(C(=O)N(CCc1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1)c1ccccc1	ir: 1 2 1 1 2 1 1 1 1 2 4 1 1 5 4 7 2 5 4 5 3 2 3 2 1 1 1 3 2 4 7 18 1 16 6 5 8 4 8 5 14 15 3 3 9 11 12 13 14 9 3 1 4 7 19 8 15 6 7 5 3 7 6 12 15 37 22 28 55 28 22 10 4 4 7 5 6 12 19 8 46 20 7 12 4 3 6 7 33 11 2 2 2 2 1 2 3 5 10 30 9 5 8 4 3 2 1 3 3 1 1 5 26 5 3 8 6 5 3 4 6 5 4 8 18 5 8 29 41 34 8 8 13 13 17 15 12 2 6 7 15 4 3 22 15 4 5 28 6 14 2 7 7 5 4 5 2 1 1 2 11 2 3 1 1 0 1 0 0 0 0 1 0 0 0 1 0 1 1 1 0 0 1 0 1 0 1 1 1 1 1 1 0 0 1 1 1 0 0 0 0 0 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 2 1 2 2 2 2 1 5 8 6 17 24 100 53 22 7 6 7 7 4 1 5 4 5 9 8 15 23 16 32 14 12 16 17 66 31 6 6 3 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 76 75 dq 2H J 14 73 \| 75 75 ddd 2H J 7 23 79 \| 74 74 ddt 2H J 10 69 79 \| 74 73 m 2H \| 73 72 m 2H \| 72 72 m 1H \| 72 71 dt 2H J 11 71 \| 51 51 m 1H \| 40 39 m 2H \| 33 32 d 2H J 64 \| 30 29 tt 2H J 9 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(C(=O)c2ccc(Br)cc2)cc1	ir: 1 2 2 3 1 1 2 5 2 1 10 9 10 2 1 3 2 4 2 2 6 54 100 9 5 2 2 10 10 3 1 2 2 2 7 2 1 3 5 21 9 1 1 3 1 1 1 2 1 1 1 1 1 2 3 15 22 4 6 4 1 1 2 2 1 1 1 2 2 4 3 1 1 2 20 2 2 2 17 23 2 4 2 2 1 1 3 8 8 2 5 2 1 1 2 1 1 2 2 1 2 1 2 1 1 1 2 1 1 1 2 1 0 1 9 34 13 5 1 3 4 4 3 9 16 4 15 2 2 1 1 1 1 1 1 2 1 1 3 22 3 2 7 36 9 6 3 6 6 9 3 2 2 3 3 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 3 3 20 73 15 10 2 2 3 2 1 1 13 30 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 m 2H \| 78 77 m 2H \| 77 77 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCCCCOc1ccc2nc(N3CCOCC3)n(-c3ccc(C)cc3)c2c1	ir: 3 3 4 4 2 2 4 5 3 9 5 5 5 5 10 5 6 6 5 3 2 3 2 2 3 5 4 2 2 3 5 2 2 2 2 2 2 2 3 2 3 3 5 12 5 8 3 5 3 3 2 2 4 12 39 9 5 4 3 1 2 3 3 2 4 8 8 10 7 7 6 2 7 17 2 2 2 2 1 1 2 2 1 1 2 3 4 4 3 2 1 2 5 4 3 2 2 3 8 7 4 3 2 2 3 3 20 7 8 4 6 4 10 3 9 10 12 4 2 4 6 7 5 5 5 9 6 5 4 2 3 3 3 2 2 2 3 1 1 10 14 3 9 33 12 9 18 8 4 5 56 20 12 0 100 4 1 2 2 1 1 2 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 5 3 4 4 4 3 2 2 4 3 11 12 15 21 44 21 7 5 4 2 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 d 1H J 79 \| 75 75 d 1H J 20 \| 74 73 m 2H \| 73 72 m 2H \| 70 70 dd 1H J 22 79 \| 40 40 t 2H J 62 \| 39 38 dd 4H J 43 51 \| 37 36 m 7H \| 24 24 d 3H J 10 \| 23 23 t 2H J 84 \| 18 17 tt 2H J 63 73 \| 16 15 m 2H \| 15 14 pd 2H J 13 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1N(c2ccc(OCC(F)(F)F)cc2)CCC12CCN(S(=O)(=O)c1cccnc1Cl)CC2	ir: 1 4 6 7 2 10 4 2 3 5 6 4 6 13 10 26 3 3 3 1 2 2 3 2 1 2 5 2 2 3 3 15 10 7 6 9 53 8 8 3 8 4 3 7 2 3 2 2 3 3 3 3 7 17 15 14 18 11 5 3 5 6 25 24 19 20 19 17 11 21 4 2 6 4 2 2 3 4 11 100 22 10 2 1 10 99 11 17 17 29 14 4 4 4 2 3 4 3 5 3 5 12 10 8 12 10 5 3 4 2 0 5 3 6 3 3 4 7 3 4 8 5 3 5 10 77 13 11 9 4 10 3 3 2 2 3 4 5 2 4 2 3 83 4 3 2 5 15 54 52 8 9 8 11 8 8 5 1 1 3 2 0 2 3 2 0 1 3 2 0 1 3 1 0 1 3 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 3 3 5 3 1 2 4 4 6 17 10 17 37 25 23 7 1 3 4 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 85 85 dd 1H J 20 40 \| 81 81 dd 1H J 21 85 \| 75 74 dd 1H J 40 86 \| 74 74 m 2H \| 69 68 m 2H \| 48 47 q 2H J 130 \| 37 37 m 2H \| 35 34 ddd 2H J 44 71 132 \| 34 33 ddd 2H J 44 71 134 \| 24 23 ddd 2H J 44 71 116 \| 21 20 ddd 2H J 44 71 117 \| 19 19 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(O)(CC)c1cc(C)ccc1Br	ir: 13 11 6 9 5 5 14 3 2 3 17 6 6 5 3 3 2 3 2 2 2 2 1 2 2 2 1 1 1 2 2 1 1 1 2 6 9 3 2 2 2 2 4 3 5 4 2 3 2 0 2 10 55 44 2 0 2 3 3 4 4 7 2 2 4 5 7 10 10 9 14 10 22 12 26 25 27 37 48 31 13 10 3 2 5 7 4 6 4 4 2 7 9 25 13 25 15 20 21 6 5 4 3 3 1 3 6 19 19 9 9 4 4 5 6 9 19 4 5 5 5 9 5 3 22 13 8 4 5 3 2 6 5 2 3 4 4 2 2 2 14 11 2 2 2 2 2 4 33 13 3 3 2 0 19 16 2 1 1 2 1 0 1 7 5 2 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 2 2 1 1 5 4 2 1 4 4 6 3 2 6 4 7 5 5 8 17 7 100 42 28 12 5 6 8 15 29 39 39 11 8 4 5 3 2 2 3 2 2 1 2 1 2 2 2 2 1 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 74 74 d 1H J 71 \| 71 71 m 1H \| 70 70 ddd 1H J 10 23 64 \| 37 37 s 1H \| 23 23 s 3H \| 21 20 dq 2H J 73 146 \| 19 18 dq 2H J 73 145 \| 9 8 t 6H J 74	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCCC1CNc1nc(Cl)ncc1F	ir: 6 6 10 10 12 6 4 14 12 8 13 17 8 5 5 2 2 3 4 2 3 2 3 2 2 2 2 5 1 2 1 2 2 2 2 6 6 43 21 8 3 8 6 4 3 3 2 1 1 2 2 1 1 3 1 4 2 2 2 2 2 3 2 1 2 1 1 1 2 2 2 1 1 3 1 1 1 1 1 1 1 1 1 1 1 2 5 1 1 1 2 2 3 3 1 1 2 2 2 2 1 1 4 8 5 3 3 2 2 4 7 11 1 100 4 5 14 4 3 3 3 5 3 6 18 14 4 4 6 9 8 8 10 9 2 2 2 3 3 3 3 14 14 3 2 2 2 2 2 1 4 53 5 55 5 1 9 3 1 3 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 2 2 2 2 3 2 3 2 2 2 2 3 2 2 16 4 2 1 1 2 2 1 1 2 1 1 1 1 1 1 2 2 1 1 2 2 4 4 3 3 8 25 52 4 2 2 2 2 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 80 d 1H J 141 \| 68 67 td 1H J 42 51 \| 42 41 m 2H \| 39 39 dt 1H J 51 135 \| 36 35 ddd 1H J 32 50 119 \| 35 34 m 1H \| 22 21 ddt 1H J 51 70 130 \| 20 17 m 4H \| 15 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccc(-c2cccc3ccccc23)nc1)N1Cc2cccn2Cc2ccccc21	ir: 15 16 15 16 17 18 16 19 15 16 19 16 15 15 16 15 15 16 19 15 15 15 16 15 15 16 18 15 16 15 15 17 18 17 18 34 28 27 21 25 61 33 34 33 37 85 34 18 15 22 23 16 19 15 26 35 16 22 16 14 17 16 15 13 15 17 15 14 16 31 15 17 16 16 17 19 18 20 17 16 19 16 15 16 17 15 15 21 22 21 16 24 27 29 16 15 16 18 15 16 16 15 15 15 22 20 16 18 17 18 15 15 16 18 17 16 18 19 15 16 19 25 23 15 16 15 18 51 18 21 20 23 22 24 23 23 18 22 18 20 19 16 36 25 29 30 35 31 72 35 35 93 27 18 17 18 16 17 25 19 16 0 26 14 15 15 15 14 14 14 14 15 14 14 15 14 14 14 14 14 14 14 14 14 14 14 14 15 14 14 14 15 14 14 15 15 14 14 15 15 14 14 15 14 14 14 15 14 14 14 15 14 14 14 15 14 14 14 15 14 14 14 15 14 14 14 15 14 14 14 15 14 14 14 15 14 14 14 15 14 14 14 15 14 14 14 15 14 14 14 15 14 14 14 15 14 14 15 15 14 14 15 15 14 14 15 15 14 14 15 15 14 14 15 15 14 15 15 16 15 16 17 16 14 22 29 33 100 50 89 29 44 19 17 17 16 16 15 15 15 15 15 15 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14; 1HNMR: 89 89 t 1H J 12 \| 81 81 d 2H J 11 \| 81 80 m 1H \| 80 79 m 1H \| 79 79 dd 1H J 16 74 \| 78 77 dd 1H J 8 87 \| 76 76 dd 1H J 76 87 \| 76 75 m 2H \| 73 72 td 1H J 17 74 \| 72 72 m 2H \| 71 70 td 1H J 16 74 \| 68 67 ddt 1H J 9 18 49 \| 64 63 ddt 1H J 9 18 71 \| 61 60 dd 1H J 48 71 \| 52 51 d 2H J 10 \| 51 51 d 2H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCNc1c(C(=O)c2ccccc2)c(-c2ccccc2)nc2c1cnn2Cc1ccco1	ir: 18 12 19 8 29 24 32 8 12 12 21 10 19 14 14 43 13 18 27 13 12 20 11 10 18 14 15 19 13 18 26 29 73 65 32 59 15 45 23 22 21 18 44 18 99 26 15 20 16 9 11 6 6 1 3 11 7 3 5 8 6 9 8 11 13 27 26 34 25 32 17 11 6 9 11 14 11 8 11 8 10 7 23 17 7 2 5 4 3 4 8 9 4 7 8 9 16 9 9 28 7 15 10 6 6 5 4 7 7 13 23 58 15 21 47 21 44 16 29 48 35 38 20 32 6 16 11 6 3 8 6 13 16 34 67 29 18 6 7 15 30 56 33 33 28 21 36 25 61 62 14 16 61 9 22 87 25 9 7 73 42 48 4 0 3 5 3 0 2 4 2 1 2 4 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 3 3 3 3 3 4 4 4 5 6 10 6 4 5 8 6 5 7 8 37 70 47 36 100 7 68 19 7 6 5 8 5 5 5 5 5 3 4 6 4 8 5 10 4 19 43 51 99 44 26 14 7 6 5 7 3 3 4 4 1 2 4 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 85 85 t 1H J 50 \| 83 82 s 1H \| 78 77 dq 2H J 17 79 \| 77 76 m 2H \| 76 76 m 1H \| 76 75 m 2H \| 75 74 m 2H \| 74 73 ddt 1H J 14 66 80 \| 73 72 t 1H J 16 \| 67 66 ddt 1H J 9 17 37 \| 63 63 dd 1H J 17 40 \| 57 56 d 2H J 10 \| 34 33 td 2H J 50 57 \| 17 16 p 2H J 60 \| 15 14 h 2H J 65 \| 10 9 t 3H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1nsc(N2CCC(NC(=O)[C@H](CCO)Oc3ccc(Br)cc3F)CC2)n1	ir: 9 11 12 19 9 13 5 10 4 11 8 7 14 10 12 19 21 7 3 14 13 8 13 13 7 4 8 18 18 17 10 14 12 8 9 12 5 4 14 49 30 14 21 10 5 3 1 2 2 4 3 4 4 1 14 14 8 3 2 3 3 3 2 4 18 12 5 20 9 6 8 4 18 16 3 4 5 4 6 3 3 6 3 6 5 7 5 12 13 17 10 10 13 28 22 35 17 11 40 56 17 6 8 7 2 18 16 28 15 10 3 7 4 4 8 7 5 7 6 10 8 11 6 11 8 3 4 9 9 11 2 5 12 14 10 2 1 2 1 2 3 13 13 4 8 41 100 29 19 12 8 5 7 1 1 1 1 1 1 1 6 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 1 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 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 2 2 3 5 4 10 5 3 4 6 5 8 6 20 28 11 22 15 35 4 13 44 29 14 14 3 2 2 1 1 1 1 1 1 1 2 3 8 10 18 49 50 31 18 6 4 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 73 72 dd 1H J 22 121 \| 72 72 dd 1H J 22 84 \| 69 69 dd 1H J 47 84 \| 62 62 d 1H J 81 \| 50 49 t 1H J 61 \| 40 38 m 3H \| 38 36 m 4H \| 32 31 hept 1H J 60 \| 30 30 t 1H J 59 \| 24 23 dq 1H J 62 150 \| 21 20 dq 1H J 60 150 \| 20 19 dddd 2H J 42 57 84 127 \| 17 16 dddd 2H J 43 57 84 129 \| 14 14 d 6H J 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(C(=O)NCc1ccc(C#N)cc1)c1ccc(OC(C)C)cc1	ir: 1 4 7 8 4 5 14 5 7 3 6 12 5 8 5 4 3 1 1 3 3 3 5 7 46 17 8 37 8 7 11 7 26 26 21 41 24 5 18 6 23 9 3 13 12 6 12 9 14 5 7 9 4 7 16 100 40 8 7 4 10 16 16 3 1 1 3 2 6 37 4 4 3 3 7 6 2 4 5 4 11 5 5 3 5 9 5 7 5 1 2 1 2 1 4 20 25 2 6 5 17 1 4 2 1 1 1 4 2 3 1 2 7 6 4 2 12 14 10 7 15 3 5 14 27 12 6 12 5 3 2 4 2 1 1 2 2 2 2 6 9 5 26 25 39 28 42 29 52 51 9 4 15 10 2 2 3 1 1 0 1 1 3 1 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 1 0 18 1 0 0 1 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 1 1 2 2 1 1 1 2 2 2 3 2 3 8 8 6 11 22 5 74 94 28 9 12 8 7 3 4 1 3 3 1 1 2 2 2 1 2 2 1 2 4 6 6 51 53 15 3 5 2 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; 1HNMR: 77 76 m 2H \| 74 74 dt 2H J 9 83 \| 73 72 m 2H \| 71 71 t 1H J 55 \| 69 69 m 2H \| 55 54 dh 1H J 7 15 \| 47 46 hept 1H J 57 \| 46 45 m 2H \| 33 33 d 3H J 14 \| 13 13 d 6H J 57	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(P(Cl)c2ccc(C)cc2)cc1	ir: 1 1 1 1 1 2 1 3 6 12 26 3 2 0 1 1 0 0 0 0 1 0 1 1 1 0 1 0 1 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 5 10 15 34 65 17 4 3 1 1 1 1 1 1 3 5 5 4 3 7 7 8 4 1 1 1 1 0 0 1 1 0 0 1 1 1 3 5 7 5 1 2 1 3 11 18 8 3 1 1 1 1 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 3 13 6 3 2 2 2 1 0 1 0 0 0 1 1 0 1 1 1 1 2 4 6 76 35 3 5 5 14 18 7 3 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 1 1 1 2 2 4 5 8 22 44 97 100 34 14 14 4 5 2 1 4 3 3 1 1 1 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 74 74 m 4H \| 72 72 m 4H \| 24 23 d 6H J 9	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CC(O)CC(O)/C=C/c1c(Cl)cc(Cl)cc1OCc1ccccc1	ir: 6 5 23 9 2 7 6 6 6 3 6 7 3 3 4 1 2 1 2 1 1 2 2 1 1 1 1 1 2 3 4 10 4 2 2 2 1 3 2 3 38 2 1 1 1 2 2 0 1 1 2 1 1 1 1 2 1 1 1 0 1 1 1 1 3 3 17 5 4 1 2 6 2 5 5 2 16 4 8 3 1 1 3 4 1 3 7 18 43 18 22 50 22 4 0 1 2 11 3 3 2 1 2 1 2 2 1 3 1 1 1 1 1 1 1 1 2 1 0 4 4 4 4 2 6 6 4 4 2 4 2 2 1 1 2 13 2 2 1 1 1 3 7 10 17 27 4 2 1 1 1 1 1 5 1 1 1 1 5 2 1 1 2 2 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 1 1 1 0 1 1 0 1 1 1 1 1 1 2 1 1 2 1 2 3 1 1 1 1 1 1 1 5 14 14 16 18 8 4 5 7 60 62 100 11 3 2 1 2 2 1 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 5H \| 72 72 d 1H J 22 \| 70 69 m 1H \| 69 69 d 1H J 22 \| 61 60 ddt 1H J 9 66 172 \| 51 50 t 2H J 8 \| 47 46 tddd 1H J 11 53 65 79 \| 43 43 d 1H J 52 \| 43 42 m 1H \| 37 36 m 3H \| 26 25 dd 1H J 70 167 \| 24 23 dd 1H J 70 167 \| 21 20 dtd 1H J 9 81 137 \| 18 17 dtd 1H J 9 80 137	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1nc(Nc2ccc3c(n2)O[C@H](c2ccc(F)cn2)CN(C)C3C)ccc1-c1cnn(C)c1	ir: 5 5 11 12 16 13 47 4 3 6 11 8 9 13 7 4 3 4 5 4 4 9 5 4 11 9 20 24 20 12 10 4 5 4 4 5 9 15 10 4 14 21 29 14 9 3 3 3 2 4 5 6 5 19 34 1 15 7 11 3 12 20 12 27 6 5 4 5 8 15 15 3 9 9 17 5 5 4 1 1 6 7 22 4 3 5 8 10 9 12 20 4 11 38 5 6 4 8 8 4 11 11 10 5 12 12 28 6 13 11 7 5 4 4 10 9 7 7 0 13 13 18 3 4 4 6 5 9 15 8 3 16 100 24 3 8 7 18 13 10 6 2 2 3 10 14 16 16 9 39 38 23 34 6 10 20 28 4 9 31 44 14 5 3 4 0 2 16 11 3 2 2 2 1 2 2 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 2 2 2 1 2 3 3 1 4 5 5 2 30 9 30 36 43 31 12 10 7 9 2 1 2 3 1 1 3 3 1 1 3 3 2 1 3 4 2 4 8 27 19 5 4 3 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 87 87 s 1H \| 85 84 dd 1H J 19 141 \| 80 80 m 2H \| 77 76 m 1H \| 76 75 m 2H \| 73 73 s 1H \| 73 72 d 1H J 79 \| 71 70 d 1H J 81 \| 59 58 m 1H \| 42 42 m 1H \| 40 40 s 2H \| 39 39 s 3H \| 35 34 dd 1H J 55 136 \| 33 32 dd 1H J 49 137 \| 24 23 d 3H J 16 \| 15 14 d 3H J 75	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)N(C=C(F)C=O)C(C)C	ir: 3 1 3 1 0 1 2 1 0 1 2 2 1 2 2 3 19 17 8 3 2 8 24 11 4 5 14 11 2 3 2 2 4 2 2 2 3 4 3 2 1 1 2 2 3 6 5 6 7 5 4 2 12 3 3 1 4 3 8 10 34 33 9 17 5 7 3 7 5 3 1 0 2 3 16 14 10 8 6 2 4 5 2 8 4 5 10 17 2 3 4 5 3 48 7 25 12 11 12 5 9 6 17 13 30 9 18 19 7 19 17 5 4 5 2 3 3 5 5 8 6 4 11 13 7 10 3 5 10 6 12 14 29 24 7 3 2 1 1 1 1 0 1 1 1 1 1 1 1 2 2 11 100 1 3 3 2 1 2 5 2 0 1 2 1 1 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 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 1 1 1 1 0 1 1 1 0 1 1 2 1 1 4 19 3 2 3 2 1 1 4 5 2 3 10 9 5 25 10 21 7 6 3 2 0 1 2 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 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 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 93 93 d 1H J 13 \| 93 93 d 1H J 13 \| 62 62 q 0H J 17 \| 62 61 q 0H J 18 \| 34 33 heptd 2H J 18 68 \| 12 11 d 12H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)Cn1cc(C(N)=O)c2cc(O)ccc21	ir: 2 2 1 1 1 2 6 4 6 6 6 6 17 17 13 9 4 2 2 4 3 5 8 3 2 1 2 2 4 7 1 1 1 5 6 2 1 3 4 3 13 14 2 3 3 1 1 2 1 1 1 4 6 14 7 4 1 1 1 0 1 2 2 3 8 9 5 3 3 3 1 1 1 1 1 1 2 1 2 3 1 8 10 9 4 5 2 2 2 1 1 2 1 1 2 1 1 2 1 1 4 4 4 3 3 2 4 3 1 1 0 0 1 0 0 1 1 2 1 3 2 2 2 4 5 13 6 2 3 2 4 5 1 2 2 1 1 1 1 0 1 1 1 4 12 9 1 2 5 2 1 1 1 4 15 4 5 25 24 1 0 1 1 3 6 2 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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 1 0 0 0 1 0 0 0 0 1 1 0 1 0 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 7 6 6 3 26 8 7 7 7 3 2 2 12 2 0 1 1 1 1 1 0 1 7 24 2 1 1 0 0 1 1 0 0 2 6 67 100 4 1 2 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 s 1H \| 77 77 q 1H J 8 \| 73 73 m 2H \| 69 69 s 2H \| 67 67 dd 1H J 22 86 \| 49 48 d 2H J 8 \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(Br)c1Cl	ir: 2 4 5 4 2 4 5 3 2 4 5 4 3 4 5 3 2 4 5 3 2 4 5 3 3 4 4 3 3 4 4 3 4 6 5 4 3 5 4 3 4 4 4 7 6 81 15 100 3 9 5 0 3 7 4 1 4 7 4 1 4 6 4 2 4 7 4 3 5 7 4 3 6 8 5 3 5 5 3 2 5 5 3 3 5 5 3 4 6 8 12 9 6 5 3 6 8 8 3 3 6 4 2 3 12 16 3 3 5 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 5 3 2 5 6 4 12 8 7 3 3 7 10 6 6 9 7 4 3 6 9 3 3 5 4 2 3 5 5 3 12 9 11 4 3 5 4 2 3 5 4 2 4 5 4 2 4 5 4 2 4 5 4 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 3 5 4 3 3 5 4 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 3 4 5 3 3 4 5 3 3 4 4 3 3 5 4 3 3 5 4 3 3 5 5 3 4 5 4 3 4 5 4 3 5 6 5 3 5 11 45 31 36 8 9 5 5 7 4 3 4 5 3 3 4 5 3 3 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 4 5 3 2 4 5 3 2 4 5 3 3 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 5 4 3 3 5 4 2 3 5 4 2 4 5; 1HNMR: 73 73 dd 1H J 12 78 \| 72 71 ddq 1H J 8 15 76 \| 71 70 t 1H J 77 \| 24 23 d 3H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC[C@@H]1COc1ccccc1	ir: 5 9 6 14 23 7 6 19 6 9 34 17 17 12 8 7 3 5 2 1 2 2 12 4 2 2 1 3 3 6 7 6 7 2 2 2 2 11 42 29 68 45 100 5 16 4 7 4 2 1 3 2 2 4 2 3 2 2 3 3 2 6 7 3 7 4 4 10 21 11 9 4 2 2 2 3 2 6 6 8 2 1 2 2 1 1 2 2 1 2 5 4 1 3 3 2 2 2 3 2 2 6 2 16 14 15 6 4 7 15 35 11 6 8 7 8 11 8 13 11 9 5 8 5 5 7 3 6 11 15 44 27 15 46 20 21 8 4 3 2 3 4 8 36 31 14 8 5 3 26 30 85 39 12 8 2 2 2 1 42 2 3 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 0 1 2 1 0 1 2 0 1 1 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 2 1 0 1 1 1 1 2 2 1 1 2 1 1 1 3 2 2 4 8 4 5 5 4 3 4 3 6 6 4 10 15 54 12 29 69 31 46 15 6 4 1 2 3 1 3 2 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0; 1HNMR: 73 72 m 2H \| 70 70 tt 1H J 14 75 \| 69 69 m 2H \| 43 42 dd 1H J 55 110 \| 41 40 m 2H \| 36 35 dddd 1H J 17 32 51 120 \| 35 34 ddd 1H J 33 51 121 \| 20 18 m 3H \| 17 16 dddd 1H J 47 56 68 126 \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nn(Cc2cccc(C(C)C)n2)c2cccc(NC(=O)c3cnc4cc(F)ccn34)c12	ir: 7 5 4 5 7 4 5 4 5 6 10 6 5 5 13 6 8 6 4 8 4 6 7 4 7 4 6 5 5 9 5 8 4 8 13 25 12 10 6 6 16 7 14 15 5 10 14 9 13 14 24 8 6 6 5 5 7 23 7 14 13 11 14 7 7 9 8 21 17 11 11 9 10 9 31 12 19 31 50 16 6 5 4 6 4 3 3 4 3 8 6 4 5 5 15 9 13 7 8 7 17 14 23 9 28 6 11 16 37 19 13 6 8 7 9 7 8 13 7 20 12 10 6 10 16 9 6 15 14 21 12 6 12 6 5 4 5 5 4 15 7 8 7 8 9 11 18 28 22 29 5 6 7 20 30 6 5 3 4 16 9 15 19 5 7 0 13 4 4 5 37 8 14 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 3 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 3 4 3 4 8 8 6 5 6 6 6 5 6 7 6 18 12 13 12 40 39 88 100 100 56 22 8 12 6 4 5 6 5 4 4 3 5 3 4 4 4 4 3 4 4 4 16 26 36 18 7 9 4 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 94 94 dd 1H J 53 76 \| 86 85 s 1H \| 76 75 m 2H \| 75 74 dd 1H J 13 73 \| 74 73 t 1H J 73 \| 72 71 dq 1H J 10 66 \| 71 71 dt 1H J 9 79 \| 69 68 ddd 1H J 14 76 233 \| 68 67 dd 1H J 14 134 \| 57 57 d 2H J 9 \| 32 31 pd 1H J 7 66 \| 26 26 s 3H \| 14 13 d 7H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(CC2CCN(CCCNc3ccccc3)CC2)cc1	ir: 4 4 30 14 20 7 12 6 3 2 2 8 5 5 2 1 2 2 1 1 1 0 4 1 1 1 1 3 1 2 3 5 2 2 1 1 1 1 4 7 62 32 7 7 2 4 1 2 2 1 1 1 1 0 0 0 1 1 0 2 0 0 0 1 5 4 4 1 7 8 4 5 2 0 1 3 1 2 2 2 2 19 3 1 2 8 0 0 0 3 1 1 3 2 1 1 3 5 3 7 1 3 1 2 5 16 5 3 8 2 2 2 2 0 1 1 3 1 1 1 3 3 3 2 1 3 3 2 3 1 2 1 3 3 9 25 2 4 1 2 5 3 3 53 6 19 18 16 4 1 3 16 4 21 3 2 1 0 0 1 2 26 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 2 2 1 1 1 1 1 2 1 6 9 7 16 100 26 4 8 4 1 2 1 1 1 0 0 1 0 1 1 1 2 1 3 5 5 13 24 14 42 23 10 4 3 4 1 1 1 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 2H \| 73 72 m 1H \| 72 71 m 4H \| 68 68 tt 1H J 12 70 \| 66 66 m 2H \| 47 46 t 1H J 50 \| 32 32 td 2H J 51 59 \| 29 28 ddd 2H J 54 82 121 \| 28 27 ddd 2H J 55 81 120 \| 26 26 m 4H \| 19 18 m 4H \| 19 18 m 1H \| 16 15 ddt 2H J 56 81 124	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C(=O)c1cc2c(s1)-c1ccc(CN=[N+]=[N-])cc1OCC2)c1ccccc1Cl	ir: 1 2 1 1 1 3 3 2 1 1 3 1 1 3 4 3 6 2 1 2 3 2 2 3 2 1 2 4 3 4 4 12 4 2 1 4 1 1 7 1 3 8 21 9 3 2 3 3 2 4 2 2 3 20 5 5 4 3 2 1 4 2 4 1 2 6 3 14 5 3 18 3 6 2 5 1 5 4 1 0 1 5 2 1 1 1 2 7 6 2 5 4 2 1 2 2 2 2 2 17 2 3 2 1 2 1 4 2 1 1 1 2 4 2 23 3 2 1 1 2 2 5 3 6 9 16 5 5 6 7 5 4 2 1 0 2 7 7 2 0 18 7 2 2 12 2 10 32 9 80 9 2 1 7 0 1 1 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 2 2 1 2 2 0 3 4 8 29 12 100 61 15 2 0 1 2 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 d 1H J 72 \| 73 72 m 2H \| 72 71 m 2H \| 71 71 m 2H \| 70 70 d 1H J 9 \| 44 44 t 2H J 9 \| 42 42 t 2H J 57 \| 36 36 s 2H \| 30 30 td 2H J 9 57	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)Sc1c(cc(OC)c(OC(C)=O)c1Br)N2	ir: 2 2 2 6 6 3 5 5 7 4 6 6 7 4 2 8 7 5 1 5 7 8 8 7 19 5 2 7 9 4 4 5 5 1 3 6 4 1 1 2 1 0 1 2 1 2 1 3 1 1 1 2 6 18 30 13 8 2 3 4 2 3 3 10 6 12 19 60 44 25 6 5 8 5 2 3 1 2 2 2 3 0 4 5 2 1 1 1 2 4 2 1 0 2 5 1 0 1 2 23 5 6 8 57 5 3 3 12 14 2 11 7 12 1 2 3 1 3 8 4 11 16 4 5 12 8 3 5 3 2 1 1 1 1 2 2 2 3 2 1 4 2 3 4 81 17 4 1 3 8 19 8 27 12 6 4 1 1 1 6 73 8 3 12 2 2 1 1 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 2 1 1 1 1 1 2 2 1 1 3 3 4 4 14 14 4 26 82 44 9 5 1 1 3 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 2 5 5 100 39 7 2 1 1 2 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 81 81 s 1H \| 72 72 d 1H J 79 \| 69 68 m 3H \| 39 38 d 6H J 77 \| 23 23 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OCCNC(=O)[C@@H](N)Cc1ccc(OC(F)F)cc1	ir: 8 3 1 3 3 2 1 2 1 5 3 6 6 3 3 4 2 5 2 2 3 3 4 1 4 3 2 7 5 4 4 3 6 7 3 7 17 10 8 8 7 14 11 17 8 4 4 6 6 3 8 5 14 19 28 9 7 7 12 64 10 19 11 4 3 3 16 9 15 34 6 4 5 9 38 37 11 6 8 21 29 10 6 1 2 4 3 5 5 3 2 1 2 2 2 2 2 7 6 3 2 2 2 2 3 2 2 3 3 3 2 1 4 7 0 4 5 5 5 8 12 10 15 31 17 16 19 31 14 32 8 16 41 22 16 6 3 4 2 2 5 5 9 14 100 13 25 34 10 4 3 4 5 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 2 2 1 4 2 2 2 2 6 3 7 13 11 15 40 10 4 3 3 4 5 3 1 3 2 3 6 9 78 27 13 5 12 8 5 9 33 21 49 14 13 11 2 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 0; 1HNMR: 72 72 t 1H J 56 \| 72 71 dt 2H J 9 87 \| 70 70 m 2H \| 66 66 s 0H \| 45 45 d 2H J 62 \| 43 42 t 2H J 47 \| 39 38 p 1H J 61 \| 36 34 m 2H \| 31 30 ddt 1H J 8 59 153 \| 29 28 ddt 1H J 8 59 153 \| 21 21 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(=O)c1cc(Oc2ccc(OC)cc2)c(Cl)cc1F	ir: 3 1 1 2 4 3 1 11 5 3 5 8 14 14 19 12 4 3 1 2 2 3 1 1 2 4 5 4 4 5 4 7 5 11 2 3 6 22 8 30 10 1 5 5 3 2 2 2 3 2 2 3 2 10 40 27 9 2 3 5 4 5 9 4 4 8 19 9 9 9 3 3 4 3 4 2 1 1 2 3 5 4 2 2 1 0 2 6 2 3 4 16 7 4 5 3 0 12 14 4 3 1 1 1 1 2 4 8 7 6 3 3 4 7 7 2 3 3 4 2 1 1 3 3 2 5 16 7 5 6 15 7 13 3 1 4 2 2 3 2 8 4 6 12 4 5 4 15 100 14 13 27 28 8 2 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 2 0 1 2 1 1 2 3 2 0 3 14 10 19 47 84 34 10 14 3 1 4 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 76 75 m 2H \| 70 69 m 4H \| 44 43 q 2H J 71 \| 38 38 s 2H \| 14 14 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc(F)ccc1O	ir: 3 4 5 5 2 5 7 5 3 5 7 6 3 8 13 22 10 22 7 2 3 6 6 3 3 5 5 2 3 8 5 1 3 5 6 4 4 10 5 2 5 5 4 1 2 6 4 2 4 8 4 2 15 67 16 33 16 6 4 2 8 9 7 3 5 49 18 25 12 6 7 4 4 5 4 9 14 88 68 45 11 7 2 1 6 10 17 15 21 51 40 12 18 9 1 2 7 5 1 4 19 26 13 6 8 7 0 3 6 3 0 5 8 5 0 6 12 5 2 5 7 3 0 4 7 3 1 4 6 2 2 5 6 2 0 4 6 1 1 6 9 3 9 75 35 14 4 4 9 5 7 10 9 7 8 5 3 2 2 4 4 5 5 4 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 2 5 4 2 2 4 4 1 2 4 4 1 2 4 4 1 2 4 3 1 2 5 3 1 2 5 3 1 3 5 3 0 3 5 2 1 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 4 4 2 2 4 4 2 1 4 5 2 3 5 6 2 2 5 5 1 3 5 4 2 3 6 3 1 4 7 4 1 4 6 6 2 8 20 30 56 63 15 13 2 6 14 36 31 100 26 4 5 2 2 3 4 3 3 3 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 4 3 2 3 4 4 2 4 4 3 2 2 4 3 2 3 4 3 1 3 4 3 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 3 4; 1HNMR: 70 69 ddd 1H J 24 94 103 \| 69 69 ddt 1H J 9 24 121 \| 68 67 dd 1H J 46 95 \| 64 64 s 1H \| 27 26 qd 2H J 9 72 \| 12 12 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(C(=O)N(C)c2ccc(N3CCC(O)CC3)c(C#N)c2)cnn1-c1ccc(F)cc1	ir: 7 2 0 7 4 2 0 3 3 2 1 2 4 2 1 3 4 2 1 2 3 1 1 2 2 1 1 2 4 1 1 3 4 3 1 2 2 3 1 3 6 16 2 4 2 1 1 3 2 0 2 3 4 9 19 100 5 5 2 3 1 1 2 2 2 1 3 5 6 12 3 3 7 1 2 2 2 1 3 4 1 4 3 5 3 7 24 14 11 6 4 6 5 2 4 5 3 5 6 2 1 3 6 2 2 2 6 2 1 2 3 3 4 2 3 1 1 3 3 3 1 2 3 4 1 3 4 5 11 11 5 3 3 8 3 2 1 2 3 1 1 9 22 2 1 14 2 2 5 6 4 4 5 11 11 1 5 11 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 13 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 1 2 2 2 1 2 3 2 1 2 3 3 2 3 5 19 4 13 34 28 4 3 3 3 2 17 34 4 2 3 2 1 1 2 1 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 81 80 s 1H \| 76 75 m 2H \| 75 74 d 1H J 21 \| 74 73 dd 1H J 21 74 \| 72 72 m 2H \| 70 69 d 1H J 74 \| 39 38 h 1H J 49 \| 36 35 ddd 2H J 62 90 123 \| 34 34 s 2H \| 34 33 ddd 2H J 62 90 123 \| 30 30 d 1H J 49 \| 25 25 s 2H \| 22 21 dddd 2H J 49 62 90 128 \| 19 18 dddd 2H J 49 62 90 128	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cnn(C(c2cccnc2)C2CCOCC2)c1	ir: 0 42 71 22 23 14 9 13 8 9 8 7 5 6 8 5 5 5 5 5 4 5 5 5 5 8 8 4 7 12 8 7 6 17 13 15 16 18 6 5 5 7 4 4 4 4 7 5 5 5 5 4 5 5 6 8 7 6 4 5 6 9 5 5 11 8 9 8 8 7 19 8 9 5 5 6 6 7 6 7 6 8 29 15 7 4 4 4 5 6 5 4 6 12 8 5 6 6 7 4 4 4 4 4 6 5 4 4 7 15 9 7 8 10 7 5 6 6 5 5 4 4 5 5 13 9 13 7 5 4 4 4 7 7 6 5 6 5 4 21 16 6 4 4 4 4 4 4 6 15 15 8 10 40 11 7 5 4 7 21 14 31 45 12 8 4 4 4 4 4 4 4 3 3 4 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 4 4 4 4 3 3 4 4 3 4 4 4 4 4 4 6 5 5 5 4 4 7 6 5 6 12 6 9 12 16 7 8 13 6 5 5 4 4 4 4 4 4 4 4 4 5 26 30 5 5 3 4 4 4 3 5 5 7 100 35 13 6 5 3 4 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 5 5 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4; 1HNMR: 85 85 dt 1H J 18 48 \| 84 83 td 1H J 6 18 \| 76 75 m 1H \| 73 73 d 1H J 9 \| 73 72 dd 1H J 47 72 \| 71 70 s 1H \| 49 48 dt 1H J 8 68 \| 37 37 ddd 2H J 27 54 110 \| 35 35 ddd 2H J 27 54 110 \| 31 31 s 2H \| 25 24 h 1H J 64 \| 20 19 dddd 2H J 27 55 64 130 \| 18 17 dddd 2H J 26 53 62 130	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(N2C(=O)OC[C@@H]2C2CC2)nc(Cl)n1	ir: 6 4 5 4 9 4 3 4 6 4 1 3 4 3 5 4 3 2 2 3 4 2 1 3 3 1 1 3 3 1 1 4 5 6 30 19 31 10 5 4 4 2 4 8 3 1 1 3 2 0 2 3 2 1 2 4 3 1 2 3 2 2 4 7 4 4 5 7 8 2 5 5 4 3 3 5 2 1 2 3 1 1 2 4 5 5 6 5 5 1 3 3 1 1 3 3 1 2 5 3 0 1 4 4 8 17 8 5 3 3 5 2 0 2 5 4 5 6 6 3 2 3 5 3 2 5 7 3 1 3 4 3 4 2 3 1 0 3 3 0 19 18 18 12 3 6 6 3 4 6 35 19 28 9 5 0 5 40 100 36 6 1 2 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 4 3 2 3 4 5 3 5 4 4 11 25 17 13 5 6 6 3 1 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1; 1HNMR: 66 66 s 1H \| 45 45 dd 1H J 17 102 \| 44 44 ddd 1H J 18 37 71 \| 43 42 dd 1H J 37 103 \| 25 24 s 3H \| 22 21 dp 1H J 59 71 \| 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.
CC(NC(=O)NC1CCCC1)c1ccc(C(=O)NOC2CCCCO2)s1	ir: 0 2 2 2 2 2 1 3 2 2 2 2 2 9 12 3 2 4 4 4 4 7 3 16 3 3 2 2 3 2 11 3 1 2 3 2 4 7 7 28 95 37 31 8 5 5 4 1 2 4 2 1 2 3 2 3 4 2 4 7 9 4 2 0 2 3 1 1 3 3 6 6 3 6 4 2 3 5 2 9 6 3 1 3 3 3 4 6 6 7 1 2 3 2 1 1 2 1 0 1 3 2 2 1 2 2 3 5 10 11 23 10 6 5 6 10 5 2 4 2 5 5 3 8 3 5 1 3 5 2 2 1 2 1 1 1 1 1 1 2 2 5 3 12 23 7 6 11 6 98 100 11 14 2 2 1 4 2 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 2 1 1 1 2 2 1 3 6 3 2 5 3 6 15 13 4 3 4 6 7 9 4 2 1 1 2 1 2 1 1 1 1 1 3 2 3 7 7 4 10 10 53 95 36 5 4 3 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 95 95 s 1H \| 77 77 d 1H J 70 \| 72 71 d 1H J 70 \| 62 61 d 1H J 80 \| 58 57 d 1H J 77 \| 51 51 m 1H \| 50 49 t 1H J 33 \| 39 38 m 3H \| 37 36 ddd 1H J 37 60 111 \| 20 18 m 3H \| 18 15 m 13H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1nn(-c2noc(C3CCC(=O)CC3)n2)c2ccccc12	ir: 27 12 1 12 20 10 4 15 22 20 7 33 52 14 3 28 23 14 7 24 24 19 14 26 34 18 16 23 21 5 5 19 21 3 7 20 17 4 6 24 15 1 28 87 19 6 9 18 12 4 11 24 12 4 13 20 14 0 14 20 11 1 12 20 10 2 12 26 14 8 19 20 10 6 18 22 10 5 15 21 6 5 15 20 11 6 16 23 13 10 16 19 5 7 18 14 4 9 23 15 6 13 20 14 13 26 24 31 10 24 42 15 10 16 25 18 10 42 41 22 17 31 42 24 44 39 33 22 11 30 37 22 15 27 22 12 15 16 17 15 12 29 53 15 31 49 28 7 9 17 14 9 12 17 13 4 7 16 11 3 13 24 13 2 8 18 10 1 9 18 10 0 10 18 9 1 10 18 8 1 11 17 8 2 11 16 7 3 12 15 6 3 12 14 6 4 13 14 5 5 14 13 5 5 14 13 4 6 15 12 3 7 15 12 3 7 16 11 2 8 17 10 2 8 17 10 1 9 18 9 1 10 17 9 2 10 16 8 2 11 16 7 3 11 16 6 4 12 15 6 4 13 14 6 5 13 14 5 6 14 13 5 6 15 12 4 8 16 13 7 10 19 14 6 17 26 16 5 14 24 21 6 19 100 62 45 59 50 43 10 15 15 9 5 10 15 9 5 11 15 7 4 11 14 7 5 12 13 6 5 12 13 6 6 13 12 6 6 13 12 5 7 13 11 5 7 14 11 4 8 14 10 4 8 15 10 3 9 15 9 3 9 16 9 3 9 15 9 3 10 15 8 4 10 14 8 4 11 14 7 5 11 13 7 5 12 13 6 6 12 12 6 6 13 12 6 7 13 11 5 7 13 11 5 8 14 11 4 8 14 10 4 8 14 10 4 9 15 9 3; 1HNMR: 82 81 dd 1H J 15 71 \| 79 79 dd 1H J 13 79 \| 77 76 td 1H J 13 73 \| 73 72 m 1H \| 32 31 p 1H J 64 \| 28 28 q 2H J 68 \| 27 26 ddd 2H J 80 107 148 \| 26 25 ddd 2H J 80 107 148 \| 23 22 dddd 2H J 64 81 108 158 \| 20 19 dddd 2H J 64 81 108 158 \| 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.
OC1OCOc2c1ccc(-c1ccccc1)c2-c1ccccc1	ir: 2 2 4 4 0 3 6 4 5 4 4 4 4 6 4 3 2 6 7 2 2 4 6 1 2 1 3 7 7 12 12 21 22 11 4 3 10 12 2 3 10 72 62 5 3 2 2 11 22 9 2 2 2 5 11 5 6 14 15 5 2 9 23 19 4 2 11 8 17 28 10 2 11 18 4 7 6 5 12 11 16 19 31 41 27 6 8 4 3 7 7 2 1 2 3 5 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 4 6 3 1 1 3 10 10 14 5 5 3 2 1 3 13 6 1 2 2 6 23 11 2 2 35 4 2 2 8 10 5 6 4 2 3 4 12 16 5 0 1 1 1 3 1 4 3 5 2 1 1 1 1 1 1 0 1 1 0 0 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 1 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 1 1 1 0 0 1 1 1 0 0 1 0 0 1 1 0 1 1 1 0 0 1 1 1 2 1 1 0 1 1 1 2 4 2 2 2 1 1 3 3 2 2 1 5 6 11 95 92 52 30 11 4 3 4 3 13 100 31 2 2 3 5 1 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 4 1 2 1 1 1 0 2 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 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: 75 74 m 10H \| 74 73 m 2H \| 61 61 d 1H J 35 \| 55 55 d 1H J 27 \| 54 54 d 1H J 29 \| 53 53 d 1H J 37	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(=O)n(C)nc1-c1cc(N)ccc1Oc1ccccc1	ir: 23 12 4 5 5 4 3 1 6 2 3 2 1 1 2 4 2 3 2 1 1 3 2 2 1 1 2 2 17 8 5 2 3 2 2 1 2 3 4 18 14 5 3 2 2 1 1 1 1 1 1 1 1 1 11 12 2 1 1 1 1 1 3 2 2 3 15 14 14 2 1 1 1 2 1 1 1 1 4 4 11 5 1 2 1 1 0 1 3 2 2 1 1 1 1 0 1 1 3 3 2 1 1 1 4 2 2 8 2 1 3 4 3 2 1 1 1 1 1 1 1 3 2 1 1 1 1 2 1 1 1 1 1 1 2 8 3 3 1 1 2 1 3 16 8 3 7 1 2 3 2 6 5 11 14 16 100 54 12 3 1 2 9 7 47 5 2 1 1 1 1 0 1 1 1 1 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 0 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 1 0 0 0 1 1 1 1 1 1 1 0 1 1 1 2 2 1 1 1 3 13 7 23 16 15 6 2 1 1 1 1 1 1 1 1 1 0 1 1 2 12 15 3 1 1 1 1 1 1 1 1 2 14 34 2 1 1 1 1 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 2H \| 71 71 tt 1H J 14 75 \| 70 70 m 2H \| 69 69 m 2H \| 66 66 dd 1H J 22 86 \| 63 63 s 1H \| 45 45 s 2H \| 39 38 s 3H \| 37 37 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C=Cc1ccc(OC(C)=O)cc1	ir: 4 7 3 3 4 5 5 3 2 4 4 11 8 5 6 4 7 6 5 1 1 7 7 5 8 13 12 7 5 1 3 5 6 5 3 3 4 6 20 11 10 3 8 5 2 2 2 3 2 4 5 12 5 3 26 21 15 3 2 9 5 5 12 4 2 2 5 4 6 11 3 2 8 5 5 5 16 14 11 39 5 18 5 1 1 4 3 1 2 1 1 2 1 1 5 8 18 4 4 9 2 2 6 10 3 9 2 3 46 5 9 3 2 2 1 2 5 4 2 5 14 9 25 23 11 37 9 8 5 1 4 2 10 3 1 2 4 9 3 2 5 3 9 39 32 38 8 100 53 6 20 8 11 33 6 4 1 2 1 1 4 4 2 1 1 3 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 1 1 1 1 1 1 0 1 1 1 1 2 1 1 1 2 3 2 1 6 6 7 4 9 11 14 36 32 56 12 17 21 10 4 1 2 1 2 1 1 1 1 1 1 2 1 1 1 2 5 7 24 41 38 42 18 4 3 2 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 90 90 d 1H J 68 \| 76 75 m 4H \| 74 73 dd 1H J 14 77 \| 72 70 m 5H \| 68 67 d 1H J 92 \| 62 62 d 1H J 163 \| 47 47 dt 1H J 63 92 \| 37 37 s 2H \| 34 33 ddd 1H J 7 64 148 \| 31 31 ddd 1H J 7 64 148 \| 23 23 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCc1nnc(N)[nH]1	ir: 5 6 7 5 7 5 7 7 4 5 6 8 4 3 5 3 4 2 2 3 2 1 2 2 3 1 2 2 4 3 6 2 2 2 3 5 7 12 21 7 3 1 2 3 2 2 2 5 3 1 2 3 2 2 2 3 2 1 2 3 3 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 9 9 3 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 3 2 5 0 1 2 1 0 1 2 1 0 2 3 1 0 2 4 2 3 2 2 1 1 1 2 1 1 1 2 3 1 2 2 1 1 3 9 13 2 2 1 2 8 12 6 3 4 10 23 14 28 33 3 4 3 3 2 2 2 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 2 1 2 2 1 1 2 2 2 2 2 3 1 1 2 4 2 0 2 4 3 14 17 8 1 2 5 7 3 11 11 12 9 59 100 5 3 2 3 2 2 1 2 2 1 2 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 s 1H \| 66 65 s 2H \| 47 47 s 2H \| 35 34 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1sc(Br)cc1NC(=O)C(c1ccccc1)N1CCCC1	ir: 1 1 0 1 5 9 2 5 6 8 6 5 11 19 13 43 52 13 9 10 5 1 1 2 10 33 5 5 8 2 9 11 6 3 3 7 3 6 3 16 24 52 17 8 6 2 2 1 2 4 3 4 2 5 6 3 5 27 20 52 22 23 26 18 16 11 7 7 8 14 5 3 4 8 27 39 15 5 4 3 8 3 17 30 11 6 3 15 17 4 3 2 5 11 4 4 7 2 2 5 5 2 1 2 2 6 2 5 2 2 3 2 6 11 17 10 5 6 9 3 23 6 5 6 2 3 3 3 5 4 2 1 2 3 1 32 5 4 16 1 1 4 5 88 5 2 5 53 32 4 2 3 9 7 42 9 5 24 39 56 26 9 7 2 1 1 2 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 0 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 2 1 2 2 1 2 6 4 4 14 3 10 32 23 17 26 5 4 3 2 1 1 1 1 0 1 1 1 2 10 19 6 2 2 3 49 90 18 22 10 3 3 20 100 4 3 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; 1HNMR: 97 97 s 1H \| 76 76 s 1H \| 75 74 m 2H \| 74 73 m 3H \| 71 71 s 2H \| 42 42 m 1H \| 31 30 m 2H \| 29 28 m 2H \| 20 19 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(/C=C/c2n[nH]c3cc(C#N)ccc23)cc1	ir: 1 1 2 2 7 1 1 2 3 2 3 5 9 6 14 7 5 5 5 3 2 4 2 1 1 2 3 2 4 1 3 2 5 9 48 36 7 1 4 2 1 0 1 1 1 0 1 1 1 1 1 1 6 10 60 13 5 3 4 3 1 1 1 1 2 3 3 14 3 7 3 2 2 1 3 16 13 4 1 3 1 1 1 1 1 0 1 2 4 1 1 4 1 1 5 5 1 4 78 2 9 8 3 2 1 1 2 3 2 5 15 4 6 2 3 17 17 5 5 7 11 3 5 5 5 6 2 1 4 3 6 5 25 7 11 8 8 17 2 2 3 8 11 10 16 5 2 2 6 22 4 2 18 5 4 2 2 2 1 0 0 3 47 2 1 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 7 0 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 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 6 2 9 22 20 100 24 11 5 3 3 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 3 9 34 6 4 4 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 81 81 d 1H J 70 \| 80 79 m 3H \| 77 77 dd 1H J 22 70 \| 76 75 m 5H \| 39 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1ccsc1CCC1CCN(Cc2ccc[nH]c2=O)CC1	ir: 2 2 2 4 2 2 4 6 12 5 2 9 10 2 2 2 3 6 2 2 2 1 1 2 5 3 2 4 2 2 1 2 3 6 10 4 9 2 3 2 3 8 35 60 10 36 9 3 2 3 2 3 6 7 3 2 4 8 5 1 2 5 5 6 8 9 4 1 42 7 4 8 4 2 2 3 2 1 2 7 3 10 6 7 36 15 8 8 16 9 3 5 2 3 3 4 6 5 9 6 5 12 5 4 8 23 12 4 23 4 8 6 2 3 4 2 1 4 7 11 4 4 5 5 3 2 3 3 2 2 3 15 3 2 4 4 13 3 2 4 10 29 16 4 2 3 9 5 12 47 11 5 4 1 12 5 3 0 2 6 4 100 5 1 2 3 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 3 2 2 2 3 5 3 2 2 2 3 6 21 20 14 14 17 12 12 22 23 7 9 4 3 2 2 2 2 2 2 2 3 2 3 3 2 2 3 4 22 12 6 7 6 3 3 2 2 2 2 1 2 1 1 2 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 td 1H J 13 67 \| 74 74 m 2H \| 74 73 d 1H J 66 \| 62 62 m 1H \| 39 39 d 2H J 13 \| 32 32 s 2H \| 29 27 m 4H \| 26 25 ddd 2H J 55 83 121 \| 19 18 ddt 2H J 54 82 123 \| 17 17 td 2H J 60 78 \| 17 15 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1cc(Cl)ccc1-n1cncn1	ir: 4 3 2 4 5 8 7 13 2 4 3 7 5 8 3 5 5 4 4 3 2 4 6 8 5 4 3 3 2 5 22 14 3 3 3 4 8 20 15 7 30 63 16 19 7 6 3 4 7 15 3 2 6 56 100 13 2 0 2 4 2 1 2 4 2 6 17 21 26 6 8 5 10 2 2 3 2 2 4 2 1 1 3 3 2 10 9 17 7 4 5 7 91 15 11 13 6 9 45 6 11 34 29 4 3 3 2 3 3 4 4 16 8 3 4 4 10 3 8 30 13 5 3 5 13 3 2 2 4 2 2 3 2 3 2 1 1 3 4 15 15 4 2 2 2 3 3 22 5 4 2 3 9 12 2 2 2 2 2 2 3 2 2 2 2 2 2 4 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 2 2 2 2 2 2 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 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 1 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 2 4 5 7 4 40 80 40 60 17 6 6 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 1 2 2 2 2 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 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; 1HNMR: 90 90 d 1H J 16 \| 83 83 d 1H J 16 \| 79 79 d 1H J 22 \| 78 77 d 1H J 82 \| 75 74 dd 1H J 22 82	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C=C(OC)c1ccccc1	ir: 1 2 3 3 4 4 7 6 4 13 5 2 6 3 2 1 1 1 1 1 1 1 1 1 1 2 4 4 2 3 2 8 5 15 31 20 6 6 3 9 4 6 7 15 15 4 2 0 1 2 2 0 2 3 1 1 1 2 2 1 2 5 4 2 1 5 8 3 30 8 2 4 11 19 60 58 28 15 4 2 2 1 10 3 2 2 0 1 2 2 0 1 2 2 1 1 2 2 0 1 2 1 0 2 3 5 4 2 4 7 3 11 2 5 3 5 3 3 2 2 4 2 1 3 5 3 23 36 7 6 3 2 3 2 18 12 1 3 22 17 2 3 16 22 4 8 7 3 2 3 3 8 2 2 2 2 2 3 17 4 3 20 26 11 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 2 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 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 3 1 1 1 1 1 2 2 2 1 2 3 4 6 15 50 100 67 24 20 4 3 3 3 2 1 3 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 78 m 2H \| 76 75 m 3H \| 56 56 s 1H \| 43 42 q 2H J 61 \| 38 38 s 2H \| 13 12 t 3H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC1=C(Nc2cc(F)cc(F)c2)CCC1	ir: 3 6 8 9 12 20 13 8 1 6 9 12 15 10 11 5 4 4 5 4 9 10 12 15 11 8 7 5 8 14 9 34 31 9 6 3 3 5 4 2 3 5 4 2 5 7 4 2 3 5 4 1 3 5 3 1 5 12 7 4 7 9 5 3 7 13 50 67 20 7 9 4 5 5 6 3 4 4 3 3 4 4 3 3 4 5 6 4 4 4 3 3 4 4 3 4 7 8 8 24 8 8 1 3 5 4 2 3 5 4 3 6 18 11 3 4 5 4 2 3 5 4 3 4 7 4 12 11 5 4 3 10 4 4 4 3 3 14 50 7 6 2 2 5 4 2 3 4 4 2 4 4 4 5 21 6 4 4 14 9 4 8 36 28 7 0 3 8 4 0 3 6 3 0 3 6 3 1 4 6 3 0 10 7 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 4 4 2 3 4 4 2 3 4 3 2 3 5 3 2 3 5 3 2 3 5 3 2 3 4 3 2 3 5 3 2 4 4 3 2 4 4 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 2 3 4 4 3 3 5 4 3 3 5 4 7 6 6 5 3 4 5 4 16 12 10 41 49 12 19 16 14 8 7 6 4 5 5 4 4 4 4 3 3 4 6 6 6 3 48 55 78 100 67 21 6 5 5 4 7 14 7 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 2 3 5 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 2 3 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4; 1HNMR: 91 91 s 1H \| 67 66 ddd 2H J 10 22 114 \| 66 65 tt 1H J 22 121 \| 27 26 dd 2H J 42 48 \| 25 25 t 2H J 47 \| 19 18 p 2H J 46	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(c2ccncc2)CO1	ir: 1 5 8 2 10 14 3 4 4 5 6 4 2 7 17 10 6 6 12 18 6 7 7 4 4 7 7 4 4 6 6 5 12 22 19 4 8 12 14 2 6 23 25 35 25 24 17 1 4 7 5 2 4 7 4 1 4 8 4 0 6 10 8 39 23 3 4 7 7 14 9 22 39 77 13 31 54 9 18 33 20 6 5 6 6 6 8 6 5 5 4 5 7 9 6 4 6 5 5 7 5 4 3 4 5 5 4 5 5 12 26 25 22 22 8 9 25 15 8 9 11 17 37 33 26 12 13 11 11 11 28 21 14 4 5 7 6 5 3 5 5 4 5 6 6 6 38 32 45 13 7 9 9 2 3 6 10 7 6 27 60 56 12 5 4 5 5 4 4 4 4 5 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 5 3 3 4 4 4 4 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 3 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 5 3 4 5 5 4 4 7 8 6 4 5 5 4 5 5 5 6 8 8 8 14 20 14 66 100 56 26 31 11 8 7 5 4 6 5 4 4 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 4 4 4 3 4 4 4 3 3 5 4 3 4 4 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 5 4 3 4 5 4 3 4 5; 1HNMR: 86 86 m 2H \| 74 74 m 2H \| 40 40 d 1H J 40 \| 37 37 d 1H J 40 \| 16 16 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)NC1CCC(N2CCNC2=O)CC1	ir: 7 6 4 4 5 3 8 21 28 13 44 24 4 7 7 7 6 3 2 10 7 17 6 5 4 8 5 5 5 4 8 18 19 77 50 23 8 9 16 10 25 12 9 23 10 0 4 5 3 5 9 12 12 6 5 8 4 5 7 3 6 5 5 7 6 8 16 7 17 4 11 7 7 7 9 5 3 5 4 3 3 6 13 4 5 2 2 3 2 2 2 2 3 2 3 3 2 2 2 3 2 2 4 3 3 4 9 7 12 6 7 16 12 11 12 10 11 6 9 19 24 7 6 8 19 10 7 10 7 12 6 10 33 16 10 7 18 19 5 6 6 4 8 28 59 45 100 41 14 29 12 0 5 6 5 2 14 61 31 13 4 6 3 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 2 2 2 3 2 2 2 3 1 2 2 3 5 2 4 6 3 6 11 8 5 6 5 8 4 16 26 11 7 7 7 4 0 4 5 2 1 3 4 3 1 3 3 2 1 3 5 8 8 9 10 22 27 50 82 37 63 20 5 9 4 4 3 4 2 3 2 2 2 2 2 1 2 2 2 1 2 3 2 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 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 2 2 2 1 2 2 1 1; 1HNMR: 62 62 d 1H J 77 \| 58 57 t 1H J 26 \| 39 38 m 2H \| 36 35 m 2H \| 34 33 m 2H \| 20 19 s 2H \| 19 17 m 4H \| 16 14 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCCNc1cc(Br)ccc1N	ir: 1 2 2 1 1 2 2 1 0 1 2 1 1 2 3 1 2 2 1 4 1 6 3 4 7 4 2 2 5 6 6 7 2 6 3 3 1 1 1 1 0 1 1 0 1 0 0 1 0 1 0 1 1 5 4 1 0 0 1 1 0 0 0 0 0 1 1 1 1 0 0 1 1 1 0 0 1 2 1 0 0 0 1 1 0 0 0 0 0 0 1 0 2 0 1 0 1 0 1 1 1 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 2 1 1 3 8 2 2 2 1 1 2 1 1 1 0 0 1 1 8 2 3 1 0 1 0 23 3 5 2 0 1 17 3 3 4 15 2 2 2 1 10 52 4 0 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 2 3 2 3 4 1 1 2 0 0 0 0 0 1 1 0 0 0 1 0 1 1 17 4 1 1 1 4 17 14 13 4 4 3 5 100 12 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 71 dd 1H J 22 77 \| 68 67 d 1H J 21 \| 67 67 d 1H J 77 \| 56 56 t 1H J 49 \| 55 55 t 1H J 52 \| 39 39 s 2H \| 35 34 dt 2H J 43 53 \| 34 34 m 2H \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2c(c1)c(=O)n(C1CCN(c3ncnc4cc(O)c(O)cc34)CC1)c(=O)n2C	ir: 3 1 0 1 3 3 5 12 11 15 11 14 12 6 3 2 2 2 3 5 1 1 1 1 1 1 0 1 2 2 1 0 2 4 1 1 1 1 1 1 0 1 1 0 0 1 1 2 7 29 27 20 4 19 5 1 1 2 1 1 1 1 1 0 1 2 4 5 11 5 3 3 2 3 4 8 9 4 1 2 8 3 1 27 14 21 12 3 1 2 2 2 0 3 2 2 4 3 5 4 7 3 1 1 1 3 4 1 2 3 1 1 1 2 1 2 3 4 4 2 4 4 3 3 3 2 2 2 1 2 2 3 2 1 1 1 4 2 2 2 2 3 16 5 3 13 2 0 2 2 1 1 1 36 5 7 3 28 10 2 1 0 0 1 2 1 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 4 2 3 22 8 2 1 2 1 0 5 100 18 4 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 s 1H \| 85 85 s 1H \| 84 83 s 1H \| 76 75 d 1H J 21 \| 74 74 d 1H J 83 \| 73 73 s 1H \| 72 72 m 1H \| 72 71 s 1H \| 46 45 p 1H J 59 \| 39 38 ddd 2H J 57 84 136 \| 37 36 ddd 2H J 57 84 136 \| 35 35 s 3H \| 24 24 s 3H \| 24 23 d 1H J 108 \| 24 23 ddd 2H J 60 85 119 \| 21 20 ddt 2H J 60 86 119	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC(Cc1cccc(Oc2ccc(Br)cn2)c1)C(=O)O	ir: 2 3 2 6 3 2 2 1 1 2 4 3 2 6 4 5 5 6 12 4 28 9 0 3 5 2 2 3 3 6 25 21 4 10 6 5 3 4 1 2 1 1 1 1 1 1 2 3 6 2 1 1 2 4 4 2 1 1 1 1 1 2 2 2 1 1 2 2 2 11 2 2 1 1 2 3 4 2 8 20 5 6 5 3 3 9 1 1 2 8 4 1 1 1 1 3 2 2 2 2 1 1 1 1 3 2 1 1 2 2 1 1 1 1 1 1 1 1 2 5 5 8 2 6 4 1 2 3 1 4 2 3 2 1 2 1 14 5 2 1 8 6 14 2 2 13 10 9 5 16 3 2 1 1 2 4 2 1 13 2 2 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 3 12 4 5 24 10 4 2 1 1 2 1 1 41 100 17 5 1 1 1 1 1 1 1 1 1 1 4 6 6 7 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 95 95 s 1H \| 83 83 d 1H J 20 \| 78 77 dd 1H J 20 86 \| 74 74 tt 1H J 9 21 \| 73 72 t 1H J 81 \| 70 69 ddd 1H J 12 21 79 \| 69 69 ddq 1H J 9 20 81 \| 68 68 d 1H J 86 \| 67 67 d 1H J 82 \| 43 42 dt 1H J 70 84 \| 32 31 ddt 1H J 8 70 138 \| 30 29 ddt 1H J 9 69 137 \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(OC)c(Cl)cc1N	ir: 1 2 4 1 3 2 4 7 13 9 20 11 27 17 7 7 5 3 5 3 3 1 3 2 1 1 2 6 3 3 1 1 1 1 1 1 2 7 7 3 1 2 1 2 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 0 2 1 1 1 3 2 5 8 10 3 3 2 3 1 1 1 1 0 1 1 1 3 9 6 5 0 1 1 2 1 0 0 0 0 0 0 0 0 0 1 1 3 0 0 0 0 0 0 1 1 3 9 3 3 6 1 1 2 1 1 0 0 0 1 1 2 1 1 4 7 2 0 0 0 0 1 2 3 2 1 1 0 5 0 0 1 0 0 0 0 1 1 4 24 5 4 5 13 29 8 4 2 1 7 10 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 1 1 0 0 0 1 1 1 1 1 1 0 1 1 1 4 4 1 2 4 1 1 1 0 1 0 0 0 0 0 0 0 0 0 1 0 1 19 56 2 1 1 0 0 1 2 1 1 5 11 100 8 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 s 1H \| 71 71 s 1H \| 59 59 s 2H \| 43 43 q 2H J 64 \| 39 39 s 3H \| 14 14 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1CNCCN1	ir: 1 0 1 2 4 2 1 1 2 1 1 1 1 2 1 1 1 1 1 2 3 5 5 3 18 4 3 4 4 2 1 3 5 2 8 17 19 11 4 3 2 4 2 7 3 2 3 4 7 8 4 4 13 4 12 14 12 25 18 8 5 3 2 0 1 2 4 2 1 1 2 1 2 1 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 1 1 2 3 2 2 3 1 1 1 2 5 7 2 1 3 4 7 6 7 2 5 12 16 96 30 6 9 7 10 5 6 5 24 46 19 15 17 7 3 3 1 1 1 2 3 2 1 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 1 1 1 1 1 0 1 7 3 1 1 1 1 0 0 0 1 1 1 1 1 1 1 1 2 2 2 4 7 14 79 100 24 4 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 29 28 m 4H \| 28 27 m 2H \| 26 26 m 1H \| 26 26 m 1H \| 16 16 dt 1H J 33 67 \| 15 14 dqd 1H J 40 68 136 \| 13 12 dqd 1H J 40 68 136 \| 9 8 td 3H J 14 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)NO)cs2)CC1	ir: 12 9 8 12 15 11 36 24 11 22 22 12 7 13 51 16 16 21 24 20 14 20 11 27 13 17 7 7 7 4 5 5 7 6 2 3 4 4 3 2 3 2 4 3 4 2 3 6 8 9 2 2 2 1 3 3 3 4 4 2 2 2 3 3 4 2 3 2 3 1 9 7 7 10 11 14 4 7 11 7 2 4 5 3 5 3 7 3 3 5 3 7 16 13 19 30 52 53 65 11 16 17 6 4 5 3 7 5 7 6 11 16 6 5 8 3 4 2 8 5 8 6 6 13 9 5 8 3 5 10 1 3 4 2 7 7 5 5 4 8 2 1 9 4 6 5 6 34 11 12 100 17 2 2 2 2 17 2 1 1 0 0 1 0 1 0 3 37 2 1 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 2 1 2 3 3 6 4 3 4 3 3 1 6 10 8 11 5 4 7 19 8 7 3 4 10 13 26 9 2 3 6 3 1 0 1 1 1 1 1 3 4 20 21 3 1 1 2 2 2 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 92 92 d 1H J 40 \| 79 78 s 1H \| 59 59 q 1H J 11 \| 51 51 s 2H \| 37 37 ddd 2H J 66 93 123 \| 36 35 ddd 2H J 66 93 123 \| 33 32 p 1H J 50 \| 23 22 m 2H \| 23 23 s 4H \| 21 20 dddd 2H J 50 65 92 139	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(Nc2nc[nH]n2)cc1	ir: 1 2 4 5 3 23 22 11 1 4 4 2 1 3 5 3 1 3 5 1 1 4 3 2 2 2 3 2 2 6 10 9 1 4 4 0 32 15 3 4 32 55 54 2 3 3 2 1 1 3 2 0 1 3 2 0 1 3 1 0 2 3 2 7 4 7 3 8 5 12 8 6 4 3 5 6 4 8 16 17 13 5 3 5 3 2 1 1 2 2 1 1 3 9 30 8 6 4 3 3 15 19 26 3 5 38 43 7 15 5 0 2 4 2 0 2 7 7 7 5 5 4 1 4 3 1 1 4 14 10 7 4 2 2 2 23 19 2 2 2 2 6 8 5 4 7 2 26 22 2 2 3 3 11 13 3 2 0 1 3 2 7 6 2 2 1 1 2 1 0 1 2 1 0 2 3 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 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 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 3 3 3 3 6 18 39 35 100 59 34 6 4 8 4 8 3 21 15 10 4 4 3 3 3 2 1 1 3 5 18 31 16 17 6 2 3 2 1 1 3 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 92 91 s 1H \| 77 77 d 1H J 26 \| 75 75 m 2H \| 73 72 m 2H \| 69 68 tt 1H J 11 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(C(F)(F)F)cc(Cl)c1N1CCCC1=O	ir: 9 15 8 3 4 3 0 1 2 2 0 1 2 3 1 2 4 5 14 6 14 11 4 2 3 7 1 7 19 3 2 2 3 1 1 2 1 0 1 3 8 2 2 5 4 4 3 1 1 1 2 2 1 0 1 5 5 4 3 3 1 1 18 3 1 0 8 30 3 6 1 2 1 1 3 3 2 1 1 1 1 2 3 2 0 1 1 1 2 4 1 1 1 1 1 4 4 9 21 5 3 7 3 6 26 8 1 1 1 1 4 6 4 22 100 37 8 3 6 7 37 12 9 6 3 3 3 15 11 7 3 1 0 1 1 1 2 3 41 4 2 3 27 7 0 3 4 0 16 30 4 31 3 3 2 1 4 6 2 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 0 1 1 0 1 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 2 2 1 2 15 2 3 1 2 1 3 2 17 32 5 15 33 20 2 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 81 81 dq 1H J 13 25 \| 79 78 dq 1H J 10 21 \| 40 39 m 2H \| 39 38 s 3H \| 26 26 t 2H J 54 \| 20 20 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1cccc2[nH]oc(=O)c12)OCc1cc2cc(-c3ccc(F)cc3)ccc2o1	ir: 2 2 1 2 1 1 1 1 1 5 6 2 2 7 3 1 2 1 1 1 1 1 7 3 5 1 1 5 2 1 2 2 2 5 5 6 2 1 3 2 3 7 5 6 9 15 13 11 15 77 16 24 20 64 36 5 19 5 3 4 1 1 2 1 1 1 3 7 5 6 13 9 2 11 2 2 1 2 13 1 3 4 3 2 1 2 4 1 1 3 2 1 1 1 9 5 7 1 1 2 1 4 6 6 41 17 6 3 23 2 4 1 1 1 2 4 8 6 2 2 1 3 3 2 3 3 4 3 4 1 1 1 1 4 3 1 0 2 3 2 7 16 14 100 17 13 3 3 49 16 10 11 39 21 6 3 2 2 19 17 10 11 7 4 3 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 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 2 1 2 2 2 9 10 38 55 89 21 9 8 4 3 1 1 1 1 3 2 1 2 2 1 1 2 2 1 5 5 15 48 66 31 38 17 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 87 d 2H J 24 \| 78 78 dd 1H J 12 80 \| 76 76 t 1H J 21 \| 75 75 dd 1H J 21 72 \| 75 74 m 3H \| 74 74 t 1H J 80 \| 72 71 m 2H \| 71 70 dd 1H J 12 80 \| 69 69 m 1H \| 53 52 d 2H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

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