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DeerEyeRain
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train · 715k rows

Output stringlengths 5 127	Input stringlengths 850 1.64k	Instruction stringclasses 1 value
CC(C)(O)c1cc(COc2ccc(Br)cc2)n(-c2c(Cl)cccc2Cl)n1	ir: 0 1 1 1 1 1 2 1 1 1 0 1 0 0 0 0 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 3 2 1 0 0 1 0 0 5 0 1 1 2 1 0 0 0 1 0 0 1 1 1 0 0 0 0 1 1 2 1 1 6 1 2 1 1 1 1 1 1 2 1 1 1 1 0 1 1 1 1 2 2 1 1 5 1 0 0 1 1 1 0 0 0 0 0 1 2 1 2 0 1 1 1 0 0 0 1 1 1 1 1 0 1 0 0 0 1 1 0 1 3 2 1 1 0 0 0 6 2 1 1 1 0 0 1 0 0 8 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 1 1 1 0 1 1 1 0 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 1 1 2 1 3 10 4 4 1 1 1 1 3 100 5 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; 1HNMR: 75 74 m 4H \| 74 73 dd 1H J 67 80 \| 70 69 t 1H J 8 \| 69 68 m 2H \| 53 53 d 2H J 7 \| 45 45 s 1H \| 17 17 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](OC(=O)Nc1conc1-c1ccc(CCl)cc1)c1ccccc1Br	ir: 7 8 8 11 6 16 8 6 3 8 7 6 6 6 18 5 6 9 6 8 7 9 10 19 10 11 9 7 6 7 6 7 9 7 7 7 6 7 6 6 7 6 30 17 18 13 10 53 44 60 29 0 9 10 9 30 16 14 11 6 6 8 6 6 10 10 7 10 6 16 6 6 7 7 7 12 16 9 5 5 6 7 10 7 8 17 10 6 9 8 6 5 14 16 10 6 7 7 11 8 12 6 4 5 17 7 7 7 11 8 4 5 8 6 5 9 12 34 9 7 7 6 5 7 8 9 7 8 15 11 7 9 20 52 9 12 14 21 6 8 6 16 7 8 7 9 14 86 41 23 14 6 41 5 5 7 6 5 14 11 6 4 5 8 5 4 5 7 5 3 5 6 5 3 5 6 5 3 5 6 4 4 5 6 4 4 5 6 4 4 5 6 4 4 5 6 4 4 5 6 4 4 6 5 4 4 5 5 4 4 6 5 4 4 6 5 4 4 6 5 4 5 6 5 3 5 6 5 3 5 6 5 4 5 6 5 4 5 6 4 4 5 6 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 6 4 4 5 5 4 5 6 5 5 5 6 6 5 5 7 6 6 7 7 7 5 6 9 6 10 15 18 47 100 48 19 16 3 6 12 6 6 6 8 5 4 6 7 4 5 5 9 7 7 9 11 10 25 68 31 32 6 6 6 4 5 6 5 4 4 6 5 4 4 6 5 4 4 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 4 4 5 6 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 6 5 4 5 6 5 4 5 6 5 4 5 6; 1HNMR: 84 84 s 1H \| 82 82 s 1H \| 76 76 dd 1H J 14 83 \| 75 75 m 2H \| 75 74 m 3H \| 74 73 ddd 1H J 6 15 77 \| 73 73 td 1H J 13 74 \| 62 61 m 1H \| 46 46 t 2H J 8 \| 17 17 d 3H J 60	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]1COc1ccc(Cl)nc1	ir: 5 6 1 6 15 11 6 7 10 11 28 28 36 12 5 5 6 1 1 3 4 2 1 5 9 4 0 4 24 4 1 4 5 2 13 8 4 1 2 7 4 1 4 5 4 3 3 4 3 2 3 5 10 65 40 19 8 4 4 7 3 1 5 7 3 1 3 6 2 12 9 5 3 2 3 4 2 1 3 4 1 0 4 3 1 2 6 4 1 9 7 6 2 1 5 4 0 2 5 4 1 3 6 6 13 7 7 3 4 7 12 19 6 5 7 4 6 4 13 6 2 4 8 7 13 8 8 5 7 23 28 72 63 13 12 2 1 4 5 1 1 4 4 0 1 4 5 0 17 9 21 100 11 3 3 3 3 3 3 4 8 4 3 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 3 2 3 6 4 2 4 5 6 3 4 6 4 1 6 14 18 8 13 23 18 7 3 5 3 1 4 4 3 2 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 4 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 81 80 d 1H J 18 \| 73 72 d 1H J 85 \| 71 70 dd 1H J 19 85 \| 44 43 dd 1H J 54 111 \| 42 41 m 2H \| 36 35 dddd 1H J 17 33 50 119 \| 35 34 ddd 1H J 33 51 121 \| 20 18 m 3H \| 17 16 m 1H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]c(-c2cccnc2)nc2ccccc12	ir: 1 1 1 1 2 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 2 1 1 2 5 1 0 3 3 100 6 0 2 3 2 8 0 4 10 35 1 2 9 2 1 2 1 1 1 1 2 4 6 2 1 0 2 2 2 1 1 1 1 2 1 1 3 1 1 1 1 2 1 3 1 1 1 3 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 8 3 1 1 1 1 1 1 1 2 4 1 1 1 1 1 1 1 1 1 1 9 2 9 2 5 4 1 1 1 2 4 1 2 1 4 2 1 1 2 2 4 1 1 1 2 4 3 13 4 29 3 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 1 1 1 1 1 1 1 1 1 1 1 3 22 6 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 9 6 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 91 91 t 1H J 17 \| 87 87 ddd 1H J 16 27 49 \| 83 83 m 1H \| 81 80 dd 1H J 15 75 \| 78 78 ddd 1H J 16 71 86 \| 77 77 dd 1H J 14 85 \| 75 74 td 1H J 12 72 \| 74 74 dd 1H J 48 74	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cccnc1NC(=O)NC(=O)c1ccccc1	ir: 7 2 3 4 2 1 1 2 2 2 1 1 1 1 2 5 5 6 6 3 2 1 1 1 2 6 6 3 1 3 4 2 10 9 22 16 9 7 4 3 12 8 15 10 7 3 3 3 5 1 7 8 26 21 17 15 10 4 2 3 2 1 6 3 2 1 1 1 4 4 3 2 1 0 1 2 2 1 2 3 1 1 1 1 16 16 2 1 1 1 1 2 1 1 4 4 1 1 1 1 1 12 5 1 1 1 1 1 0 0 1 1 1 2 1 1 0 1 1 1 0 1 2 2 1 4 6 3 1 1 1 1 1 3 3 2 1 4 4 3 2 6 8 12 13 13 14 4 3 10 100 71 35 4 10 22 6 1 1 3 3 5 1 2 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 2 6 0 1 1 1 1 0 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 5 14 12 14 9 4 2 1 2 1 1 1 1 1 1 1 2 2 2 1 1 2 2 2 16 15 23 28 16 6 4 1 2 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 84 83 dd 1H J 21 36 \| 81 81 dd 1H J 22 66 \| 79 79 m 2H \| 75 75 m 4H \| 74 73 dd 1H J 35 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)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1cccc(C#N)c1)C(=O)O	ir: 9 5 9 5 6 3 6 5 4 9 8 20 20 8 7 10 5 6 9 14 19 32 41 8 9 5 1 9 3 9 21 12 13 7 10 20 6 5 5 7 10 5 3 3 2 3 2 12 5 4 3 3 1 1 2 3 2 1 3 2 2 1 2 2 1 1 1 5 15 5 2 3 3 1 2 4 5 28 23 6 6 9 4 15 9 12 9 11 31 17 36 11 9 4 5 5 10 4 3 12 5 3 3 4 2 4 2 3 0 2 3 3 4 3 6 9 3 3 2 5 5 7 12 4 3 3 8 2 5 5 9 11 4 3 5 20 1 4 4 7 6 11 9 100 19 64 16 4 3 9 8 7 4 1 6 1 1 1 1 3 1 1 1 0 1 1 1 0 1 1 0 0 0 1 1 0 1 1 0 0 1 1 2 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 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 1 1 1 0 1 1 1 1 1 1 1 1 1 2 2 2 2 4 3 2 2 1 5 3 3 7 14 6 18 92 17 6 3 4 4 2 4 21 11 21 5 3 1 0 1 1 1 0 2 2 1 5 6 44 21 6 2 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 76 76 ddd 1H J 12 21 66 \| 74 74 m 4H \| 74 73 m 3H \| 73 72 m 1H \| 55 54 d 1H J 78 \| 39 39 dq 1H J 65 78 \| 39 38 qd 1H J 52 70 \| 33 33 d 1H J 52 \| 31 30 m 2H \| 29 28 tt 1H J 77 93 \| 28 27 m 2H \| 21 20 ddd 1H J 71 94 146 \| 19 18 ddd 1H J 70 93 146 \| 14 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNC(C)(C)C(C)(C)O	ir: 3 5 3 2 1 2 1 1 2 2 2 1 1 1 1 0 0 1 2 1 5 1 1 1 1 1 1 1 1 1 1 1 2 3 4 3 2 2 15 9 27 22 16 6 1 1 1 1 2 5 8 2 5 2 1 1 1 2 3 2 7 2 4 2 2 1 3 3 1 2 1 6 4 1 4 8 14 13 15 3 15 9 6 3 6 5 5 3 5 5 6 4 2 5 4 6 10 7 6 7 8 11 8 4 1 4 5 11 10 8 15 9 5 4 5 2 3 2 8 9 21 10 4 1 1 3 2 2 3 10 5 8 15 11 19 20 5 1 2 1 1 1 1 1 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 1 4 3 5 3 11 4 6 4 3 3 2 4 6 15 12 1 9 6 3 4 4 4 8 14 99 100 95 17 5 4 3 6 4 5 7 31 66 43 54 7 4 3 3 3 4 3 3 3 9 3 5 2 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; 1HNMR: 32 31 t 1H J 39 \| 28 27 qd 2H J 40 50 \| 23 22 s 1H \| 12 11 m 15H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(CC(=O)O)NS(=O)(=O)c1ccccc1	ir: 20 18 10 10 8 11 10 9 9 12 16 22 22 22 16 19 15 12 15 21 14 57 27 15 13 10 10 9 10 14 25 10 8 9 7 8 10 7 10 13 40 11 9 9 18 15 16 19 16 12 9 8 8 12 11 14 20 26 24 15 9 9 10 10 10 23 51 14 11 11 8 8 9 13 16 11 23 22 29 28 20 10 13 9 30 44 72 16 7 7 10 9 8 8 13 11 18 23 9 9 14 19 20 21 20 21 36 24 16 10 12 32 21 28 16 9 13 18 11 11 15 14 9 8 8 9 8 9 10 13 12 13 9 15 10 16 8 9 9 8 9 10 17 33 16 15 11 9 8 8 7 7 7 7 7 6 6 7 7 7 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 7 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 6 6 7 7 7 7 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 7 8 7 7 8 9 8 8 8 8 8 10 13 9 10 18 14 9 7 6 7 9 7 4 56 0 10 10 6 5 8 10 8 6 12 14 16 100 42 8 8 7 7 7 7 7 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6; 1HNMR: 99 98 s 1H \| 80 79 tt 1H J 13 74 \| 78 77 dq 2H J 16 88 \| 75 74 m 2H \| 58 57 d 1H J 101 \| 35 34 dddt 1H J 71 80 101 150 \| 26 25 dd 1H J 81 157 \| 24 23 dd 1H J 81 157 \| 13 12 d 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)N1CCNC1=O	ir: 15 4 0 2 4 5 9 13 15 21 6 4 3 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 3 4 6 13 34 61 10 3 10 7 2 2 1 2 2 2 1 1 2 1 4 4 2 1 1 1 2 1 2 5 3 3 1 2 2 3 5 14 13 2 0 1 2 1 3 24 10 2 1 2 2 1 4 7 9 3 2 5 64 38 4 4 2 2 1 2 2 1 1 2 2 1 2 5 15 13 5 5 3 6 4 6 2 0 2 3 2 0 2 4 7 14 6 5 7 2 4 7 9 1 7 35 49 7 1 0 2 3 3 1 2 2 2 1 1 1 1 1 1 1 2 2 1 1 3 3 3 75 100 8 6 3 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 5 3 2 2 2 2 1 2 2 2 1 1 3 20 16 12 5 3 1 1 1 1 1 1 1 2 2 1 2 2 1 2 3 2 2 4 17 8 3 2 2 7 27 22 5 6 3 2 1 3 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; 1HNMR: 61 60 t 1H J 23 \| 39 39 m 2H \| 34 33 td 2H J 22 43 \| 29 29 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cn1cc(Nc2ncnc3cc(OCCCCl)ccc23)cn1)Nc1c(F)cccc1F	ir: 4 7 7 14 9 9 6 12 13 12 17 31 18 10 8 6 7 7 9 17 9 6 7 6 8 9 10 17 19 37 17 7 13 10 12 10 9 8 12 11 12 28 8 4 9 20 37 16 27 51 9 7 7 5 12 11 5 6 7 7 7 4 5 5 7 12 9 6 30 17 8 9 9 6 6 5 5 5 5 4 5 5 5 5 7 7 4 4 6 9 16 10 6 8 8 6 5 6 17 21 24 11 8 6 9 9 34 9 8 6 6 7 5 5 4 6 6 8 9 6 6 6 5 5 5 5 5 5 7 11 5 10 12 8 5 5 8 6 13 33 27 13 25 37 12 31 12 30 39 87 41 18 8 8 6 17 14 35 7 7 7 19 14 8 5 0 20 19 4 8 4 2 4 5 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 6 6 6 5 5 5 4 5 6 9 11 11 19 31 37 10 16 11 7 8 5 4 5 5 5 4 5 6 4 5 7 10 7 10 14 22 34 100 75 18 12 7 7 6 5 5 4 5 5 5 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 91 91 t 1H J 44 \| 87 86 s 1H \| 85 84 d 1H J 93 \| 84 84 s 1H \| 74 74 m 1H \| 73 73 s 1H \| 73 72 tt 1H J 52 78 \| 72 72 d 1H J 23 \| 71 70 m 2H \| 69 69 dd 1H J 22 92 \| 53 53 d 2H J 9 \| 41 41 t 2H J 50 \| 38 37 t 2H J 38 \| 22 22 tt 2H J 37 49	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCc1cccnn1	ir: 1 0 0 1 1 4 2 1 0 1 2 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 3 2 3 1 2 1 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 1 1 2 4 11 6 6 3 20 9 3 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 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 1 4 1 1 0 1 2 4 1 0 0 0 0 0 0 0 1 4 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 3 3 1 4 8 4 2 1 2 3 3 7 100 9 2 1 2 1 0 0 0 1 1 0 0 0 0 1 0 0 1 1 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; 1HNMR: 91 90 dd 1H J 21 41 \| 76 75 dd 1H J 41 74 \| 73 73 ddt 1H J 9 20 74 \| 39 39 q 2H J 62 \| 38 37 m 1H \| 29 29 td 2H J 8 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(C)c(N2CCN(c3ccc4c(c3)OC(F)(F)O4)CC2)c(C)c2c1OC(C)(C)C2	ir: 3 9 5 7 12 5 1 5 6 8 5 2 2 2 1 3 2 2 3 4 4 6 6 6 3 5 2 2 2 3 4 3 5 8 4 4 3 2 3 2 1 4 2 2 2 2 1 2 2 9 10 10 16 32 21 8 7 5 6 2 3 5 18 9 5 4 12 30 20 4 3 9 9 2 2 1 4 3 2 2 2 1 3 7 19 11 4 3 3 22 9 6 5 3 6 13 14 31 81 100 40 24 18 5 7 5 6 9 3 2 8 8 6 3 1 2 3 4 5 4 2 3 3 4 5 5 3 8 17 6 6 3 2 1 1 2 3 1 3 3 0 2 4 22 2 2 2 2 2 2 10 12 3 13 4 3 2 4 2 0 1 3 8 16 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 3 3 2 3 2 2 3 4 4 3 4 2 3 7 10 33 6 7 15 32 11 7 3 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 70 70 d 1H J 79 \| 67 66 dd 1H J 22 79 \| 66 66 d 1H J 22 \| 39 38 s 3H \| 33 33 s 8H \| 30 29 s 2H \| 22 22 s 3H \| 20 19 s 3H \| 15 14 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)OCCOc1ccc(CCCO)c(Oc2ncc(C(F)(F)F)cc2Cl)c1	ir: 2 9 8 3 2 3 6 26 9 6 6 4 3 6 3 5 3 9 3 3 3 2 2 2 3 2 1 3 5 3 4 6 5 4 6 16 20 54 20 11 9 8 5 6 2 5 3 4 3 4 8 9 5 8 23 20 10 3 6 6 4 5 9 3 6 15 15 54 32 9 21 20 3 2 12 3 3 8 6 7 7 9 12 22 16 15 50 55 39 32 26 12 10 14 5 14 19 29 63 34 8 7 5 4 6 3 3 4 7 6 7 5 3 45 41 10 9 10 6 4 5 3 7 9 7 33 13 13 7 4 1 60 14 5 7 3 3 2 1 2 3 2 1 28 100 13 3 1 2 11 7 3 7 14 51 2 1 5 4 4 23 2 20 2 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 3 3 2 2 4 5 3 2 2 3 3 1 5 10 29 24 17 69 35 12 8 3 3 4 6 10 4 2 2 2 1 2 2 2 1 1 2 2 1 1 2 2 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 85 85 p 1H J 14 \| 80 79 dq 1H J 9 19 \| 69 69 dt 1H J 9 87 \| 66 66 dd 1H J 23 87 \| 65 65 d 1H J 23 \| 41 41 t 2H J 51 \| 38 37 t 2H J 52 \| 37 36 m 2H \| 36 36 d 1H J 59 \| 35 34 t 1H J 57 \| 28 27 td 2H J 10 84 \| 19 18 tt 2H J 59 83 \| 12 11 d 6H J 56	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCC[C@@H](C)NC(=O)OCc1ccccc1	ir: 3 2 6 4 5 2 3 2 3 2 1 3 4 2 2 2 2 1 2 2 3 3 3 3 4 6 24 74 31 29 23 15 19 7 2 4 4 4 4 30 25 4 4 3 2 1 2 3 2 0 1 2 2 0 1 4 1 0 2 2 1 0 1 4 2 5 10 12 4 5 5 15 6 1 3 6 5 2 4 4 2 1 3 3 1 1 2 2 3 6 4 3 1 1 2 2 2 3 6 4 0 1 3 4 3 6 2 2 1 1 3 2 2 4 4 13 6 6 3 7 3 6 7 2 2 3 4 3 1 2 2 1 2 3 11 11 5 6 6 7 2 5 11 30 36 100 10 3 19 15 15 3 3 4 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 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 2 1 0 1 1 1 0 1 2 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 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 2 2 1 3 2 3 1 2 3 5 5 4 7 14 7 24 36 58 4 9 6 3 3 5 5 3 1 1 2 1 0 2 2 2 2 2 4 4 8 18 37 18 8 4 3 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 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 74 73 d 4H J 42 \| 73 73 ddd 1H J 37 49 83 \| 57 56 m 1H \| 51 50 m 4H \| 50 49 m 1H \| 40 38 m 1H \| 22 20 m 1H \| 20 19 dtdt 1H J 14 71 86 116 \| 16 15 dtdd 1H J 9 44 86 137 \| 14 13 m 1H \| 12 11 d 3H J 55	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1noc2cc(N3C(=O)OC[C@H]3CO)ccc12	ir: 1 1 2 2 1 1 2 4 4 3 5 3 2 2 2 2 3 3 2 2 2 2 2 2 1 2 1 1 1 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 2 2 2 1 1 1 2 1 1 2 3 3 4 3 2 3 1 1 2 1 1 1 1 1 1 1 2 5 5 2 2 13 14 9 4 3 3 4 5 4 2 2 2 2 1 1 1 1 1 3 5 2 2 1 2 1 1 2 4 1 2 2 3 3 1 1 1 1 1 2 1 2 3 3 10 4 2 1 1 2 2 3 1 1 1 1 1 1 1 2 2 1 2 2 0 6 18 6 5 2 2 1 2 1 1 1 2 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 2 2 2 1 1 2 1 2 1 1 1 1 2 2 2 2 2 2 2 2 2 4 3 11 9 10 5 2 3 2 1 16 100 56 6 2 2 2 2 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 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; 1HNMR: 78 78 d 1H J 81 \| 77 77 d 1H J 22 \| 74 74 dd 1H J 22 82 \| 45 44 m 1H \| 43 42 m 2H \| 40 39 m 2H \| 37 37 m 1H \| 24 24 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)C1=Nc2cc3c(c(C)c2=C1C)N=c1ccccc1=3	ir: 0 0 1 1 5 4 11 3 0 1 1 0 1 12 8 2 1 4 3 1 1 0 1 1 0 5 9 2 1 1 1 0 1 1 2 2 0 1 1 7 2 7 100 10 5 9 3 4 2 1 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 1 1 4 22 6 13 25 8 4 9 10 1 1 2 3 25 3 8 14 2 1 0 0 1 1 0 0 2 14 3 4 2 1 2 0 2 1 0 1 1 1 5 4 1 0 3 7 17 2 1 1 1 3 9 5 3 2 5 7 3 3 11 8 2 16 7 3 2 3 2 2 3 20 0 2 1 3 0 9 5 4 3 3 16 19 13 1 1 0 2 4 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 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 1 1 0 1 2 7 4 1 1 1 2 1 1 1 2 2 8 10 25 15 10 15 40 71 9 2 2 1 2 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 29 29 dd 1H J 20 57 \| 25 25 s 1H \| 23 23 s 3H \| 23 23 s 3H \| 22 21 dd 1H J 20 56 \| 18 18 m 1H \| 18 17 td 1H J 20 54 \| 12 12 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)Nc1sc(-c2ccccc2)cc1C(=O)N[C@H]1CN2CCC1CC2	ir: 3 2 2 4 4 4 3 4 4 3 2 6 3 23 34 16 6 5 4 7 8 13 6 8 24 14 11 13 9 6 5 4 2 4 9 5 30 24 6 3 3 79 52 7 9 13 17 18 6 4 4 6 4 1 10 24 78 48 100 35 18 20 8 0 4 5 2 2 6 7 11 4 4 7 9 4 10 12 8 5 5 21 4 4 2 2 1 2 2 2 2 2 2 8 4 3 5 6 10 2 3 4 9 11 4 2 2 2 8 7 4 7 6 9 6 4 5 4 2 4 3 6 2 3 4 4 3 9 9 15 3 4 3 4 3 12 8 36 13 6 5 8 45 45 26 27 23 39 10 35 7 5 7 4 9 24 44 98 40 21 11 3 3 4 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 4 4 5 4 5 5 7 4 4 10 22 8 27 27 6 8 3 3 2 3 3 2 2 2 2 2 4 4 5 31 15 26 4 7 31 89 37 46 19 7 13 9 69 39 6 3 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2; 1HNMR: 98 98 s 1H \| 78 78 ddt 2H J 12 24 59 \| 78 77 s 1H \| 75 74 m 3H \| 71 71 d 1H J 84 \| 64 63 s 2H \| 41 40 m 1H \| 31 31 dd 1H J 7 117 \| 31 30 ddd 2H J 48 74 120 \| 30 29 ddd 2H J 48 74 119 \| 29 28 dd 1H J 35 115 \| 21 20 m 1H \| 19 18 m 2H \| 16 15 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](Nc1nccc(-c2cnnn2C)n1)c1cc2cc(Cl)ccc2[nH]c1=O	ir: 1 7 3 8 3 2 12 5 4 2 6 5 4 3 4 6 8 5 3 2 2 2 3 5 14 8 4 2 2 3 7 7 0 1 1 0 1 3 2 1 1 4 3 10 32 0 2 0 2 4 3 4 16 66 10 11 3 1 2 2 1 1 0 1 1 2 3 3 8 2 2 4 15 5 3 2 2 5 2 1 0 0 1 1 1 2 3 1 1 1 0 5 1 4 2 1 2 21 49 3 1 1 1 1 2 4 2 1 1 1 2 4 4 3 4 3 4 2 3 3 7 4 3 1 0 3 3 2 1 2 2 1 1 1 1 4 4 9 9 6 9 6 3 10 2 4 7 100 52 19 34 17 3 6 30 20 69 12 3 16 18 16 2 1 1 36 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 1 1 1 1 1 2 1 1 1 3 2 7 10 11 12 14 3 1 2 0 2 1 1 1 1 2 1 0 1 1 1 1 1 2 3 6 8 24 31 84 11 2 2 3 1 2 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 97 96 s 1H \| 86 86 d 1H J 42 \| 80 80 s 1H \| 78 78 d 1H J 10 \| 76 76 m 2H \| 74 74 dd 1H J 21 78 \| 74 74 d 1H J 44 \| 73 73 d 1H J 75 \| 48 48 ddd 1H J 9 67 76 \| 42 41 s 3H \| 15 14 d 3H J 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CN(CC(C)C)C(=O)CCl	ir: 8 3 1 2 2 3 3 6 3 5 7 3 0 5 3 3 1 1 2 1 2 3 6 3 3 4 3 5 16 73 31 8 3 4 2 2 2 4 2 2 3 2 2 4 12 3 14 26 6 1 2 2 1 1 1 1 1 1 2 2 7 5 5 4 1 0 2 1 1 1 3 2 1 1 1 1 7 10 4 1 1 1 1 1 1 1 2 1 1 4 3 2 2 2 1 2 2 2 3 4 4 2 2 8 6 14 25 14 7 5 11 5 3 1 2 4 10 20 9 9 2 6 10 8 7 14 6 13 7 15 9 8 2 2 4 5 10 9 8 5 3 2 2 2 4 4 8 100 15 5 2 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 6 3 1 4 3 2 5 5 6 1 9 8 14 21 35 7 3 4 3 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0; 1HNMR: 42 42 s 2H \| 31 31 d 4H J 57 \| 22 20 dpd 2H J 17 72 127 \| 9 8 d 12H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(N)cc1-c1cnc(OCCOC2CCCCO2)c(N2CCOCC2)c1	ir: 13 13 7 7 16 7 4 5 7 5 6 5 6 3 8 4 7 5 5 4 3 4 3 4 4 4 4 3 4 3 11 4 5 3 4 6 5 3 4 5 9 10 4 4 4 3 4 5 4 3 4 5 5 6 8 4 5 4 4 3 3 4 5 4 4 3 5 8 9 7 4 3 9 4 4 8 4 4 6 13 16 4 4 3 3 3 6 5 4 3 5 6 4 7 5 4 5 7 4 5 7 4 8 19 4 3 3 4 5 5 7 6 5 4 4 6 5 4 6 6 5 5 7 6 4 4 4 3 4 3 4 6 9 5 16 5 3 3 3 3 3 3 3 3 3 3 3 5 4 3 4 4 5 9 20 25 30 4 4 3 6 9 4 0 5 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 4 4 5 4 4 4 3 4 6 6 4 7 16 12 5 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 5 11 4 3 3 3 3 3 3 3 2 5 100 23 5 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 79 79 d 1H J 16 \| 72 72 d 1H J 16 \| 71 71 dq 1H J 10 75 \| 68 68 d 1H J 22 \| 66 66 dd 1H J 21 76 \| 47 47 t 1H J 34 \| 45 44 m 2H \| 45 45 s 2H \| 41 40 dt 1H J 55 117 \| 39 38 dt 1H J 55 119 \| 38 38 m 4H \| 38 37 m 1H \| 36 35 m 1H \| 33 33 m 4H \| 25 24 d 3H J 10 \| 18 16 m 2H \| 16 15 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2nc(Cl)cc(Cl)c2c1	ir: 3 2 1 9 24 2 2 2 2 2 1 2 3 18 10 5 1 2 10 6 6 4 2 2 3 2 2 2 2 2 2 2 2 1 2 3 2 1 2 2 2 1 2 3 2 5 2 25 6 7 2 0 6 12 29 31 61 5 4 3 2 2 3 3 5 13 39 28 8 3 3 7 7 7 5 3 2 2 3 3 2 1 2 2 2 2 4 12 3 2 2 4 3 3 3 4 2 5 12 3 0 68 19 2 3 2 2 2 2 3 6 18 6 4 16 9 1 2 3 2 1 3 3 3 5 7 5 7 1 11 9 2 2 2 2 1 5 11 1 2 2 2 2 2 2 2 3 10 3 2 14 36 2 4 8 22 50 59 3 4 3 1 2 2 2 2 3 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 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 3 2 2 2 3 3 1 2 4 3 1 2 4 4 1 3 6 3 3 54 100 87 25 3 1 4 6 2 2 3 4 2 1 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 79 79 d 1H J 23 \| 79 79 d 1H J 79 \| 77 77 m 1H \| 73 73 s 1H \| 26 25 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](c1ccccc1)N1C[C@]2(C(=O)OC(C)(C)C)C=CC[C@@H]2C1=S	ir: 2 3 3 9 6 3 5 2 7 19 11 10 4 6 3 4 3 2 1 3 4 0 6 4 4 8 8 11 12 12 23 19 5 2 5 10 7 3 2 16 27 7 60 4 1 1 4 1 1 0 1 1 1 1 1 1 1 2 2 2 1 3 7 3 3 2 2 1 17 6 3 3 5 5 2 5 3 1 1 2 1 2 1 5 8 4 1 6 19 9 15 6 4 8 7 5 9 12 7 10 5 3 1 5 7 5 1 6 12 11 23 19 27 14 20 12 5 5 15 21 16 15 6 6 14 9 16 17 17 18 15 6 11 14 16 56 41 15 33 10 2 7 4 23 52 23 13 8 2 2 2 2 21 9 1 1 1 0 1 2 1 0 1 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 1 3 5 3 5 3 2 4 4 3 5 10 4 8 12 21 53 50 66 100 26 22 3 4 3 3 3 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 6H \| 61 60 ddq 1H J 9 17 80 \| 59 58 dtd 1H J 18 64 82 \| 51 50 q 1H J 68 \| 40 39 ddd 1H J 8 17 114 \| 37 36 dd 1H J 9 114 \| 35 34 ddd 1H J 19 41 60 \| 29 28 dddd 1H J 9 41 64 152 \| 26 25 dtd 1H J 9 61 154 \| 16 15 d 3H J 68 \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(CO)CCCCCBr	ir: 3 2 1 4 1 8 1 2 5 2 1 4 8 2 0 1 3 2 1 1 2 1 0 3 2 1 1 2 1 1 1 2 2 1 1 2 2 1 8 5 11 10 5 3 2 0 2 2 2 0 2 7 3 5 4 4 2 1 2 3 2 1 15 9 6 0 4 10 6 5 4 5 4 1 4 3 2 2 3 6 5 2 7 16 85 53 13 24 63 100 72 28 18 8 4 2 4 5 4 5 3 3 4 8 7 18 8 17 32 7 6 1 2 3 2 4 4 7 11 6 10 7 4 3 3 11 9 5 4 6 4 4 2 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 0 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 5 2 3 7 13 12 5 2 1 5 4 4 10 45 27 9 4 4 2 2 2 2 2 1 5 37 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 34 34 t 2H J 47 \| 34 33 d 2H J 65 \| 25 24 t 1H J 65 \| 19 18 tt 2H J 47 69 \| 15 14 m 2H \| 14 13 m 4H \| 10 9 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-n2nc(C(C)C)cc2-c2ccc(OCCNC(=O)OC(C)(C)C)cc2)cc1	ir: 6 4 7 4 2 2 2 1 1 4 6 6 4 7 0 3 4 3 0 1 3 3 3 2 4 4 28 1 57 26 25 12 7 3 1 1 2 4 3 2 1 2 1 1 1 1 1 1 1 3 4 1 3 11 64 14 27 16 6 4 9 8 11 17 5 5 3 8 3 22 3 4 18 7 3 2 4 3 1 1 0 0 1 1 1 1 1 4 8 1 1 2 3 1 1 3 3 4 3 3 1 1 1 2 2 3 5 2 1 2 2 1 2 3 9 3 3 4 2 17 13 5 5 9 9 16 11 12 14 4 12 6 6 5 4 17 3 1 2 2 5 5 3 7 16 19 8 30 50 73 30 7 11 3 2 2 4 1 1 1 1 1 0 3 4 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 2 3 2 3 2 2 2 2 2 1 2 3 7 8 43 7 35 100 37 43 9 6 2 3 1 4 1 0 1 1 1 0 0 1 0 0 1 1 2 3 8 13 13 9 4 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 m 2H \| 76 75 m 2H \| 71 71 m 2H \| 70 70 m 2H \| 68 68 d 1H J 9 \| 54 53 t 1H J 49 \| 42 41 t 2H J 44 \| 38 38 s 3H \| 36 35 dt 2H J 44 50 \| 32 31 pd 1H J 9 61 \| 14 14 s 8H \| 13 13 d 6H J 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOc1nc(N)c2[nH]c(=O)n(CCCCN3CCN(CCCC)CC3)c2n1	ir: 10 6 3 7 10 6 4 9 3 5 3 4 3 3 7 13 5 3 10 3 4 3 2 3 4 2 14 6 10 11 7 3 2 3 4 3 4 3 16 14 9 14 10 5 3 5 4 2 3 2 6 13 14 47 40 22 11 6 6 4 3 4 2 3 3 2 3 2 2 3 5 2 2 6 4 4 1 1 1 2 12 6 9 11 11 3 3 2 2 1 2 1 1 1 1 2 2 2 2 4 3 6 3 6 3 3 2 3 3 2 5 6 0 5 4 6 6 5 3 10 3 3 6 7 9 3 2 3 4 6 3 7 33 6 1 15 16 7 5 2 1 2 2 3 13 6 7 10 3 4 2 3 65 78 100 3 2 2 2 1 6 11 2 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 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 3 2 2 2 2 1 2 2 2 5 9 7 3 1 1 1 1 1 2 1 1 1 1 1 1 2 2 2 1 1 3 5 11 2 3 2 4 15 32 7 4 3 3 23 95 5 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 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 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 93 92 s 1H \| 66 66 s 2H \| 43 43 m 2H \| 40 40 t 2H J 71 \| 27 27 m 4H \| 26 25 m 9H \| 19 18 tt 2H J 70 82 \| 17 16 pd 2H J 9 71 \| 16 15 dddd 2H J 10 61 73 134 \| 15 14 dtd 4H J 20 69 139 \| 14 13 m 2H \| 10 9 t 3H J 70 \| 9 9 t 3H J 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1cc(Cc2cccc(Cl)c2)c(Cl)o1	ir: 5 6 5 3 6 7 18 18 2 3 3 5 2 4 4 12 7 7 4 2 2 2 4 1 1 2 9 5 5 3 4 2 1 3 2 2 1 3 5 9 4 11 3 4 4 5 19 5 5 6 9 1 4 7 3 3 2 1 2 0 1 1 2 1 2 2 3 6 19 3 5 6 6 7 11 0 7 8 6 9 7 5 7 11 20 26 38 49 84 33 26 8 7 7 1 4 4 7 11 6 2 2 1 1 2 1 0 1 1 1 1 3 3 17 34 10 6 4 3 4 3 8 5 9 17 16 6 3 2 2 1 1 1 1 1 1 1 1 4 36 10 1 1 3 12 5 3 2 1 0 1 6 2 3 10 16 8 1 1 7 1 0 1 1 1 0 1 1 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 0 1 1 0 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 2 2 2 1 0 2 4 4 0 5 7 12 100 29 21 12 3 2 2 6 20 6 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 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 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 73 73 m 2H \| 72 71 m 2H \| 62 61 p 1H J 9 \| 46 46 dd 2H J 8 58 \| 40 39 t 1H J 57 \| 39 39 q 2H J 8	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC(c1ccc(Br)cc1)c1ccc(Br)cc1	ir: 1 2 5 3 1 5 5 6 5 9 12 7 10 7 14 3 2 2 2 1 0 2 2 1 1 1 3 4 5 4 2 1 3 8 8 4 5 6 2 1 1 2 2 3 14 5 7 10 6 11 17 7 20 41 68 41 27 1 3 5 2 2 2 0 3 4 5 5 6 17 7 3 3 4 1 0 4 3 2 11 21 11 18 17 24 100 59 16 3 5 25 52 9 4 5 2 1 4 3 2 1 1 2 2 1 1 2 1 1 1 3 2 3 6 4 9 9 3 7 9 4 4 3 6 7 7 26 38 9 6 5 1 1 2 1 1 0 1 1 0 0 1 2 2 5 13 87 23 7 1 1 5 9 4 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 4 3 3 4 5 7 8 24 69 64 51 11 9 5 9 5 11 73 39 11 6 2 2 2 1 1 2 1 1 2 2 2 1 2 3 2 2 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 75 75 m 4H \| 73 73 m 4H \| 55 55 dt 1H J 8 51 \| 23 23 d 1H J 53	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccc2ccc(Cl)nc2n1)c1cccnc1	ir: 0 3 3 3 4 3 4 3 2 4 4 5 2 3 3 4 4 3 3 2 1 3 5 2 4 7 10 5 6 5 7 4 3 4 6 12 14 45 45 9 9 4 34 28 7 4 3 4 7 7 4 0 4 6 8 47 97 47 11 8 4 3 4 3 3 5 7 11 5 15 13 2 3 2 2 2 3 7 4 3 8 4 3 2 3 3 1 2 2 2 2 2 5 16 15 3 3 3 1 1 3 5 2 7 4 5 6 2 4 4 32 5 10 7 17 4 6 2 2 3 3 3 6 8 12 3 3 3 3 4 9 11 7 3 2 3 3 3 9 22 13 12 25 6 4 34 73 35 12 99 82 21 21 18 45 39 40 57 57 11 32 35 5 5 24 2 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 2 3 3 3 2 4 14 16 100 82 11 9 2 3 4 2 1 3 3 2 2 3 5 4 5 5 5 5 10 10 7 8 20 56 45 5 3 5 4 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 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 1 1 1 2; 1HNMR: 96 96 s 1H \| 92 91 t 1H J 17 \| 87 87 ddd 1H J 16 26 45 \| 82 82 m 2H \| 82 81 m 1H \| 75 74 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc(-c2ccccc2)ns1	ir: 8 4 7 7 3 7 4 2 2 3 1 4 2 6 3 4 2 1 1 2 2 2 1 1 2 2 2 2 3 4 5 6 3 2 2 1 1 2 8 28 35 13 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 2 6 4 7 2 1 0 1 0 1 1 3 2 7 8 4 3 1 1 1 1 2 1 1 0 1 1 0 1 1 1 1 0 1 1 0 0 2 2 1 1 1 1 1 0 1 0 0 1 8 4 1 3 1 2 6 4 1 1 1 1 1 1 1 1 0 1 1 1 30 12 7 10 3 1 2 1 1 2 10 21 7 3 2 1 3 5 9 7 24 24 6 9 4 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 1 1 1 1 1 2 1 1 0 1 1 1 1 2 2 1 1 1 2 1 2 13 14 22 43 13 5 3 4 4 2 1 1 2 1 1 1 2 1 2 4 57 100 14 4 1 1 1 1 1 3 4 13 43 52 26 14 2 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 2 0 1 1 1 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; 1HNMR: 81 80 m 2H \| 76 75 m 3H \| 59 59 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C#N)cc1O	ir: 6 5 3 5 7 8 5 7 6 6 3 5 5 5 8 6 6 6 4 4 5 4 3 5 5 4 4 5 7 4 7 5 5 4 5 6 19 4 4 6 6 4 5 5 4 3 4 5 5 3 5 5 5 5 20 7 5 5 6 8 4 4 4 4 4 4 4 4 48 3 5 7 4 3 5 5 6 11 55 18 5 3 6 7 4 5 17 6 3 3 7 11 31 8 9 6 10 8 5 5 3 4 5 5 8 6 6 4 3 4 6 4 2 4 6 6 4 5 6 4 3 4 6 4 6 6 6 4 4 9 6 3 3 5 5 3 3 5 6 3 2 6 7 39 13 4 5 3 5 54 3 5 6 10 4 5 4 5 4 13 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 7 4 4 4 4 3 4 5 4 3 4 5 4 3 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 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 4 3 5 4 4 4 4 4 4 4 5 5 4 6 4 4 4 4 6 5 4 6 5 5 4 4 5 5 4 5 8 6 6 10 89 16 7 8 3 9 8 4 100 8 0 8 6 3 2 5 5 3 3 4 5 4 3 5 5 3 3 5 5 4 4 5 4 3 4 5 4 4 5 6 5 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 4 4 3 4 4 4 4 4 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; 1HNMR: 73 72 dd 1H J 21 83 \| 71 71 dq 1H J 11 84 \| 70 70 d 1H J 22 \| 60 60 s 1H \| 22 22 d 3H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCCC1CCNc1ccc(-c2ccc(N)cc2)cn1	ir: 12 4 16 13 10 8 9 4 4 8 5 3 4 3 2 3 4 4 3 7 14 10 9 6 9 4 9 8 4 7 3 3 2 4 9 10 15 7 4 2 3 3 2 2 2 2 1 2 3 1 1 3 10 3 5 6 6 5 5 2 2 2 2 2 2 5 3 3 2 3 2 2 2 2 1 2 4 8 9 5 4 1 3 4 2 3 7 2 3 6 2 1 1 3 2 4 9 8 3 2 2 1 2 4 4 2 7 2 2 3 2 2 2 2 3 1 3 5 4 4 3 4 6 3 3 3 3 2 2 2 2 1 1 2 3 1 0 7 55 21 7 6 1 3 2 1 2 6 3 4 4 20 17 18 9 10 23 3 2 5 100 46 3 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 4 6 4 14 16 12 5 2 2 1 2 1 1 1 1 1 1 1 1 1 1 2 9 26 7 6 4 6 8 5 9 4 3 8 14 17 16 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: 82 82 d 1H J 20 \| 79 79 dd 1H J 18 80 \| 76 75 m 2H \| 68 68 d 1H J 80 \| 67 67 m 2H \| 55 54 t 1H J 51 \| 45 44 s 2H \| 35 34 dtd 1H J 51 62 154 \| 34 33 dtd 1H J 51 62 154 \| 29 28 m 2H \| 22 22 d 3H J 14 \| 21 20 m 1H \| 21 20 m 1H \| 20 19 ddt 1H J 47 67 131 \| 18 17 m 2H \| 17 16 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)Cn1ccc(O)cc1=O	ir: 11 4 4 3 4 4 3 5 7 11 6 5 5 5 4 5 5 4 5 5 9 6 5 5 6 5 4 4 4 4 6 5 5 5 3 4 4 5 13 28 8 6 6 7 6 5 4 15 11 16 9 29 23 19 9 5 4 2 4 6 4 3 7 6 3 0 8 79 81 19 4 1 4 6 2 1 4 5 5 38 26 9 10 22 29 54 7 4 8 6 4 3 5 4 2 3 5 6 3 4 4 4 3 3 6 5 5 8 6 6 5 4 4 4 3 3 5 5 23 22 24 5 3 5 6 10 11 9 6 8 6 8 6 5 4 4 4 3 3 4 7 15 5 7 13 28 12 14 26 33 8 6 5 2 16 43 23 9 5 3 4 4 16 6 6 2 3 5 3 2 3 4 3 2 3 3 3 2 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 2 2 3 3 2 2 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 6 3 3 4 3 3 5 4 4 3 4 3 3 4 4 3 4 6 5 4 4 5 4 3 7 14 12 12 6 13 14 37 26 21 7 8 11 100 74 22 4 0 4 5 2 1 4 4 2 2 4 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 3 4 4 3 2 3 5 5 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3; 1HNMR: 77 76 dt 1H J 9 79 \| 59 59 dd 1H J 13 79 \| 53 53 d 1H J 13 \| 45 45 d 2H J 9 \| 14 14 s 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(CC#N)(c1ccc(F)cc1)c1ccc(F)cc1	ir: 2 2 3 7 4 4 1 3 2 2 19 5 2 2 4 6 3 3 3 1 1 0 0 1 1 0 0 1 1 0 0 1 1 4 2 9 2 4 1 1 1 0 2 0 2 1 1 1 1 1 1 9 2 9 9 19 28 5 6 1 2 1 4 5 8 2 1 1 2 9 1 0 1 1 1 6 1 2 1 1 1 2 8 3 1 0 1 2 5 2 1 1 1 2 2 1 1 1 1 1 2 7 4 1 4 4 5 2 1 1 1 4 3 4 2 2 4 2 1 3 3 1 4 3 2 4 4 14 11 13 2 4 1 1 1 1 1 1 0 1 1 1 2 1 3 32 5 1 51 5 22 5 4 23 2 1 1 1 0 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 7 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 1 1 1 1 1 1 1 1 4 2 1 1 2 1 0 2 13 18 3 14 100 25 10 2 2 2 3 2 1 2 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 4H \| 71 71 m 4H \| 43 42 q 2H J 60 \| 36 35 s 2H \| 12 12 t 3H J 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2ccc(Br)c(F)c2n1	ir: 0 1 1 1 2 15 1 1 0 1 1 1 1 1 4 1 0 2 1 1 2 1 1 2 1 0 2 23 5 3 3 1 0 1 2 3 1 1 3 1 1 2 1 1 2 2 1 2 4 27 42 11 2 4 1 3 6 17 8 0 13 6 4 3 6 3 6 3 3 2 15 5 4 3 1 1 7 1 3 10 3 2 1 7 2 2 1 0 1 1 1 1 2 2 0 0 3 27 35 6 0 1 2 1 1 6 3 3 3 2 1 2 3 1 5 16 12 1 0 2 2 2 0 1 3 3 4 9 10 3 0 2 2 2 0 51 7 5 3 1 1 11 2 3 9 5 9 39 2 2 2 2 6 1 1 2 3 87 4 2 2 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 2 2 2 2 2 1 1 2 2 1 5 2 3 6 7 5 12 100 46 12 4 6 6 1 3 4 3 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 81 80 dt 1H J 7 78 \| 78 77 m 1H \| 77 76 dd 1H J 47 99 \| 72 72 dt 1H J 8 79 \| 26 26 d 3H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1cc(O)nc(SC)n1	ir: 1 1 1 12 6 15 6 2 1 4 2 1 1 2 3 4 6 5 1 1 1 0 1 1 4 4 1 1 1 0 0 1 1 1 1 4 15 53 14 1 0 2 1 0 1 2 1 1 1 1 1 1 1 2 1 0 1 2 2 1 1 1 1 2 3 7 11 3 1 2 5 9 8 6 6 5 5 8 4 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 2 3 0 1 1 1 0 0 1 1 1 1 1 1 2 1 1 2 3 4 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 0 0 1 1 1 22 16 1 29 1 0 0 1 1 0 0 1 1 0 0 1 9 4 3 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 4 1 1 1 1 0 1 1 0 0 1 3 2 100 78 3 1 1 0 0 1 1 0 0 1 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 1 1 1 1 0 0 0 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 61 61 t 1H J 9 \| 26 26 td 2H J 8 62 \| 26 25 s 3H \| 18 17 qt 2H J 62 78 \| 10 10 t 3H J 80	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)c1ccc(C)c(C2=CC3NN=C(N4CCCCC4)C3N(C)C2=O)c1	ir: 6 7 8 15 12 2 12 4 5 3 5 4 17 5 2 4 5 3 7 10 8 15 7 6 6 3 4 5 2 3 2 1 2 2 3 4 5 4 12 100 5 2 4 3 3 0 11 6 7 4 8 3 2 3 3 2 2 0 2 3 2 2 2 3 3 5 3 7 9 6 2 1 1 4 3 3 1 1 8 2 3 2 3 3 19 2 1 1 1 1 3 5 6 6 4 6 15 7 2 2 3 9 10 3 1 1 5 9 1 5 14 8 6 5 5 2 1 4 9 5 1 2 7 8 2 4 6 3 5 4 3 2 2 9 2 4 25 9 4 3 9 23 13 20 24 52 15 21 7 2 2 6 2 1 2 11 1 1 1 1 1 1 0 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 1 1 1 1 1 2 3 1 2 3 5 2 2 4 10 6 9 15 12 5 1 2 1 0 1 1 0 0 1 1 1 1 1 1 1 0 2 3 3 3 14 32 65 13 8 1 2 1 0 0 1 1 0 0 1 0 0 1 1 1 1 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0; 1HNMR: 79 79 d 1H J 22 \| 77 77 dd 1H J 22 82 \| 73 73 dq 1H J 10 83 \| 69 69 q 1H J 51 \| 66 66 d 1H J 53 \| 64 63 dd 1H J 17 60 \| 51 50 ddd 1H J 52 59 71 \| 46 45 dp 1H J 15 70 \| 35 34 m 4H \| 30 30 m 6H \| 24 24 d 3H J 10 \| 17 16 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccn2c(C3CCN(CCc4ccccc4)CC3)nc(-c3ccccc3)c2c1	ir: 2 4 4 2 2 2 2 2 1 3 3 2 1 1 1 1 2 4 6 3 3 2 2 18 7 2 2 7 3 3 15 14 8 5 14 7 5 12 23 22 13 11 15 8 7 3 1 2 1 1 2 2 4 2 32 9 6 3 3 3 1 2 4 2 3 2 3 9 12 12 4 7 3 2 3 13 8 13 7 5 28 14 2 4 9 12 8 6 3 7 1 4 5 3 1 3 2 9 7 3 4 7 14 6 2 8 5 7 2 3 1 2 1 7 5 2 3 2 2 2 4 2 4 9 9 6 5 5 17 9 8 32 7 16 21 21 18 5 10 40 7 2 10 22 14 4 7 3 24 2 1 5 7 3 22 2 2 1 1 3 2 0 4 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 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 2 1 1 3 3 3 2 3 3 5 7 10 8 4 15 17 44 100 54 27 17 22 4 5 5 3 2 2 1 2 1 2 1 0 1 1 1 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 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 91 90 d 1H J 72 \| 76 75 m 2H \| 75 74 p 1H J 16 \| 74 74 ddt 1H J 14 69 80 \| 73 73 m 4H \| 73 72 m 1H \| 72 72 m 2H \| 67 66 dp 1H J 10 73 \| 35 34 p 1H J 48 \| 30 29 ddd 2H J 57 83 114 \| 28 27 m 1H \| 28 27 s 3H \| 26 25 ddd 2H J 57 84 115 \| 24 23 t 3H J 13 \| 23 22 dddd 2H J 48 57 84 132 \| 20 19 dddd 2H J 48 56 84 133	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1c[nH]c2nc(OCCCN3CCCCC3)cc(-c3ccc(Cl)cc3Cl)c12	ir: 2 2 3 2 1 5 3 4 1 2 12 2 2 4 3 2 2 2 8 1 1 2 2 2 2 7 16 23 12 4 14 3 2 14 2 2 2 5 4 2 2 4 13 45 3 4 2 1 2 7 3 1 3 3 7 6 3 3 2 1 2 2 4 4 5 21 14 6 20 4 3 6 2 2 1 1 2 2 2 2 5 13 3 8 19 3 4 3 17 3 1 3 3 2 2 5 2 4 3 7 6 5 8 3 3 5 2 2 4 5 2 3 5 5 3 7 5 5 3 7 5 5 1 2 2 1 2 2 3 2 2 3 3 3 11 4 21 4 15 8 11 2 1 1 2 3 5 7 8 3 21 11 2 1 26 10 4 100 5 4 3 34 2 4 2 0 1 3 1 0 1 2 1 0 2 3 2 0 1 2 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 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 2 2 2 1 2 3 4 2 2 2 2 1 2 3 3 2 12 5 8 22 8 4 7 8 5 2 2 1 2 3 3 1 2 2 2 2 2 2 2 1 2 4 2 2 7 31 17 17 11 3 2 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 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; 1HNMR: 98 98 d 1H J 68 \| 76 76 m 2H \| 75 75 d 1H J 85 \| 75 74 dd 1H J 21 85 \| 72 71 s 1H \| 43 42 t 2H J 74 \| 28 28 t 2H J 65 \| 25 25 m 4H \| 23 22 tt 2H J 65 74 \| 16 16 m 4H \| 15 14 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Sc1ccc(OCc2ccccc2)cc1	ir: 1 2 2 3 2 3 3 4 3 4 4 8 5 4 3 3 2 2 1 2 2 1 1 2 2 1 1 4 10 6 8 8 6 3 3 8 26 52 35 73 66 44 46 6 8 40 44 9 4 6 6 2 20 34 43 64 56 18 6 0 2 2 2 3 4 4 11 20 34 23 4 1 4 3 1 2 3 3 4 2 3 2 9 1 3 4 2 5 7 6 2 2 2 3 2 3 4 6 3 3 2 2 2 2 1 2 1 1 2 1 1 1 1 1 1 2 4 2 2 3 5 3 5 5 3 3 1 2 2 1 1 2 3 5 7 24 6 4 2 2 1 5 27 20 10 13 14 7 5 10 5 7 10 3 3 3 1 1 1 3 7 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 5 4 3 5 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 2 1 1 3 2 0 1 5 6 6 15 78 55 100 62 35 12 9 4 1 3 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 74 m 2H \| 74 73 m 2H \| 73 73 m 3H \| 69 68 m 2H \| 51 50 d 2H J 10 \| 34 33 s 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(=Cc1ccc(OCc2ccccc2)cc1)C(=O)OC	ir: 2 3 7 6 4 4 4 2 2 2 3 2 2 1 2 2 1 3 2 1 0 2 3 2 2 1 2 1 1 3 3 7 4 13 15 3 5 3 2 4 17 13 2 1 1 3 1 1 1 2 1 0 2 13 4 1 4 9 4 1 1 3 2 2 5 11 2 1 2 4 1 0 1 2 13 1 2 6 3 1 1 2 0 0 1 1 1 2 4 2 1 1 1 2 0 1 1 2 1 2 2 2 1 1 2 2 3 2 1 1 0 1 1 1 0 1 2 2 6 10 3 2 2 4 3 3 18 3 2 0 0 40 1 1 2 3 2 1 1 1 2 1 8 4 3 6 11 3 8 100 7 4 19 5 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 4 5 7 72 15 7 2 1 1 2 1 1 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 80 80 s 1H \| 74 73 m 7H \| 73 73 m 1H \| 69 69 m 2H \| 51 50 t 2H J 9 \| 38 38 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)C1NC(=O)CC(c2cccc(Cl)c2)C12C(=O)N(C(=O)OC(C)(C)C)c1cc(Cl)ccc12	ir: 1 2 2 2 11 4 6 6 8 2 7 6 6 6 1 2 1 1 2 1 2 1 1 2 5 4 2 2 3 7 26 40 12 12 11 4 1 3 1 1 2 4 3 24 6 11 13 20 6 3 3 18 2 2 4 8 12 9 2 4 2 3 2 3 2 5 9 7 5 4 2 0 6 6 5 8 2 6 4 1 1 1 1 1 1 1 2 8 3 1 0 1 1 3 1 0 1 1 2 2 5 1 0 1 2 7 6 5 1 2 1 2 2 1 1 6 6 2 5 6 3 4 4 8 15 3 5 11 3 4 14 7 1 12 29 3 14 11 5 4 8 1 0 1 1 1 1 11 0 3 54 12 20 39 30 100 12 3 1 1 4 2 1 44 3 1 1 1 1 0 0 1 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 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 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 1 2 1 1 2 1 2 7 3 8 17 4 10 30 16 6 5 5 9 6 3 2 1 1 1 1 0 1 0 0 1 1 1 1 2 2 4 17 9 4 4 4 5 2 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 d 1H J 82 \| 76 76 d 1H J 22 \| 74 73 m 2H \| 73 72 m 2H \| 72 72 dt 1H J 13 25 \| 72 71 ddt 1H J 11 20 70 \| 51 51 ddq 1H J 9 19 27 \| 50 50 m 1H \| 49 49 ddt 1H J 17 34 84 \| 42 41 m 1H \| 30 29 dd 1H J 75 168 \| 28 27 dd 1H J 75 168 \| 18 18 q 3H J 12 \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CC(=O)C1CCN(Cc2ccccc2)CC1)Cc1ccc(F)c(F)c1	ir: 9 4 5 4 7 5 8 6 14 7 1 6 7 5 4 9 6 21 7 4 1 6 5 12 5 2 1 3 3 7 22 16 8 7 9 7 5 8 22 77 32 4 13 3 5 4 4 4 6 7 8 7 10 9 11 15 16 12 4 5 7 10 1 4 3 5 5 24 22 28 10 10 3 2 5 1 5 12 28 7 29 7 3 4 9 32 35 30 5 18 5 4 1 4 7 1 4 21 21 11 13 16 4 4 12 25 9 5 5 4 8 16 16 7 5 5 7 7 3 8 2 24 21 35 18 26 21 8 28 28 14 61 25 8 14 39 15 9 6 6 33 82 98 25 11 8 13 5 29 48 4 10 10 9 4 1 1 2 1 1 2 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1 0 1 1 1 1 1 0 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 2 0 1 2 2 2 2 5 2 6 6 9 7 5 9 6 6 11 14 24 39 47 29 100 47 31 12 6 4 3 6 1 5 2 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 72 m 5H \| 72 71 m 1H \| 71 71 m 2H \| 37 37 d 2H J 9 \| 35 35 d 2H J 7 \| 35 35 s 2H \| 29 28 ddd 2H J 55 81 123 \| 27 26 ddd 2H J 55 81 123 \| 26 25 p 1H J 56 \| 21 20 ddt 2H J 55 81 125 \| 19 18 ddt 2H J 56 82 124	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2nc(N3Cc4ccccc4S(=O)(=O)C(C)C3)cc(Cl)c2c1	ir: 1 0 0 2 3 4 6 5 1 1 1 3 2 1 1 4 3 1 0 1 1 1 1 1 2 1 2 3 2 1 1 1 2 2 1 2 8 5 1 1 1 3 3 1 0 0 0 2 1 0 0 1 1 2 5 1 1 1 1 1 2 2 2 5 2 40 2 3 2 2 2 1 2 3 3 1 1 1 0 0 2 4 1 7 7 11 4 3 2 2 3 1 1 1 0 1 1 3 3 1 2 2 2 3 1 10 3 2 5 2 2 1 2 1 0 1 1 1 0 1 1 1 4 2 3 3 1 2 1 1 0 1 1 1 1 1 4 3 1 3 6 4 1 2 1 0 0 2 2 3 2 100 5 1 1 1 1 1 8 38 5 1 1 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 1 1 1 0 1 1 1 1 1 1 2 2 2 2 5 5 3 4 16 14 7 2 2 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 m 1H \| 78 78 m 1H \| 78 77 d 1H J 80 \| 77 77 m 1H \| 75 74 m 3H \| 68 67 s 1H \| 49 48 m 2H \| 41 40 m 1H \| 39 38 m 1H \| 36 35 qt 1H J 80 90 \| 26 25 s 3H \| 15 14 d 3H J 92	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]1c1cc(COc2cccnc2)on1	ir: 3 6 5 8 16 9 6 12 15 12 38 17 19 5 2 2 1 1 2 2 7 2 3 1 1 5 4 5 5 7 9 6 12 33 12 1 1 1 2 11 5 4 1 2 1 5 2 1 1 1 1 0 3 1 3 3 4 2 2 5 1 7 11 6 7 6 6 7 5 21 43 25 19 10 5 3 2 2 6 6 2 4 1 1 1 1 0 1 2 5 3 2 3 2 2 4 2 6 4 1 0 3 2 1 3 3 5 3 15 15 14 25 19 13 13 15 3 4 8 6 0 2 9 14 11 3 6 4 2 10 7 21 47 13 2 3 3 2 3 14 24 4 1 1 1 0 1 4 3 3 15 100 14 10 14 40 13 2 3 9 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 1 1 2 2 2 1 4 2 3 4 2 1 3 7 7 18 36 9 8 71 12 54 17 4 3 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 ddd 1H J 14 21 42 \| 81 81 t 1H J 16 \| 73 73 dd 1H J 42 78 \| 72 71 dt 1H J 19 77 \| 64 63 q 1H J 9 \| 54 53 d 2H J 8 \| 50 49 dqd 1H J 13 23 60 \| 37 37 m 1H \| 36 35 m 1H \| 23 21 m 3H \| 20 19 m 1H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(F)c(NCC2CCOCC2)n1	ir: 13 12 16 6 1 6 15 6 12 5 10 4 3 3 2 1 11 6 7 3 2 1 1 2 2 1 1 2 2 1 1 1 2 0 4 30 21 37 12 3 5 3 3 1 1 1 1 1 1 2 10 13 19 7 18 0 2 2 1 0 1 1 2 3 3 2 1 0 2 3 2 5 5 6 2 2 1 2 1 1 1 1 1 1 1 2 2 5 2 2 2 2 1 1 1 1 1 1 1 1 1 2 9 3 3 6 6 4 7 4 2 2 1 2 1 1 1 1 2 2 1 2 4 14 44 11 2 3 2 2 3 2 1 4 4 8 13 6 4 9 20 28 18 7 3 1 1 1 1 1 1 1 12 100 38 14 16 17 18 3 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 2 2 1 2 2 1 3 13 5 5 12 25 9 6 7 1 1 2 1 1 1 1 2 1 2 1 1 1 1 2 2 3 5 8 11 27 16 56 6 2 2 2 1 1 1 2 1 2 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 75 74 ddd 1H J 45 86 103 \| 70 69 ddd 1H J 44 86 101 \| 68 67 td 1H J 42 55 \| 37 37 ddd 2H J 29 57 110 \| 36 34 m 4H \| 20 19 m 1H \| 19 18 dtd 2H J 29 58 144 \| 16 16 dtd 2H J 29 58 144	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](c1cccc2c1CNCC2)n1c(=O)oc2cc(S(=O)(=O)Nc3ncns3)c(Br)cc21	ir: 1 1 2 3 2 4 4 8 1 2 1 4 9 21 4 2 0 5 3 2 4 2 3 1 1 2 4 3 3 7 1 1 17 5 3 1 29 11 11 12 4 2 3 1 18 3 35 4 17 27 5 22 7 8 8 3 13 18 7 2 3 7 9 4 13 7 13 11 8 10 2 4 17 6 2 3 12 4 2 1 2 5 4 4 22 5 1 1 3 5 100 12 3 5 2 8 12 3 1 3 18 11 1 1 1 1 2 1 8 3 4 17 20 7 7 16 28 39 7 2 5 7 52 19 7 3 0 4 19 25 11 16 4 1 1 2 3 10 1 5 5 3 1 1 1 0 0 14 1 1 1 7 5 18 8 1 2 7 1 1 1 1 6 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 2 1 1 2 2 1 1 1 1 1 1 3 5 9 19 20 47 7 3 2 1 2 2 2 2 1 0 1 1 1 1 2 2 1 5 58 5 1 1 1 1 20 10 1 2 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 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 97 97 s 1H \| 82 82 s 1H \| 79 79 s 1H \| 78 78 s 1H \| 72 71 m 2H \| 70 69 m 1H \| 54 53 m 1H \| 41 40 m 2H \| 31 31 q 2H J 41 \| 29 28 m 2H \| 28 28 tt 1H J 41 49 \| 16 16 d 3H J 75	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(Nc2cccc(NC(=O)c3sccc3NCc3ccncc3)c2)c(=O)c1=O	ir: 1 2 2 6 20 8 4 3 4 6 6 22 20 10 7 2 6 4 4 13 10 8 13 20 35 37 13 19 10 14 10 11 5 2 3 3 3 2 2 4 4 1 5 27 10 30 78 33 38 38 13 13 5 8 5 6 4 9 3 0 1 2 2 4 3 18 17 15 7 3 4 8 17 4 3 3 1 4 4 5 8 5 5 2 4 1 1 2 18 14 3 3 2 4 16 5 8 11 4 49 5 10 10 3 4 2 3 2 4 3 1 6 2 2 1 4 12 30 18 11 12 7 7 6 5 3 8 3 2 1 3 3 4 10 37 13 12 3 4 7 87 31 7 5 7 10 8 6 23 8 17 19 9 15 7 15 91 100 11 11 10 8 4 6 45 3 1 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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 1 1 0 1 1 1 0 0 1 1 1 0 2 2 1 0 2 2 6 6 9 37 35 20 20 5 4 1 6 1 2 2 1 1 1 2 3 2 3 1 4 9 6 18 40 52 75 54 18 8 5 7 1 2 1 1 1 1 3 1 1 1 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 93 92 s 1H \| 85 84 m 2H \| 77 77 m 1H \| 77 76 d 1H J 55 \| 74 73 s 1H \| 73 73 m 3H \| 73 72 dt 2H J 9 46 \| 69 68 d 1H J 55 \| 64 63 t 1H J 50 \| 46 46 dt 2H J 9 51 \| 39 39 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1NC(=O)OC(C)(C)C	ir: 6 4 4 4 7 44 6 3 7 9 5 4 2 2 1 1 1 1 1 2 2 5 4 3 3 3 10 13 52 22 42 12 8 6 3 5 2 5 16 8 13 17 3 2 1 3 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 2 6 2 2 4 1 2 5 3 2 3 9 3 4 1 2 2 5 2 1 1 1 2 1 1 1 2 8 7 1 1 2 4 2 2 1 4 15 10 4 7 1 4 4 5 20 6 7 3 5 4 9 8 7 8 5 7 2 4 7 5 6 5 5 6 8 5 4 4 7 3 10 15 11 12 5 10 4 5 3 2 7 15 59 43 4 5 12 100 33 26 4 3 2 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 2 2 2 2 2 2 5 4 4 9 14 11 11 18 14 9 4 4 2 3 1 3 1 2 2 1 1 0 1 0 0 1 1 1 1 2 3 9 36 7 5 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; 1HNMR: 74 73 m 6H \| 58 57 m 1H \| 53 52 dt 1H J 20 161 \| 52 51 s 2H \| 51 51 dt 1H J 20 108 \| 42 41 d 1H J 82 \| 39 38 m 2H \| 37 37 m 1H \| 36 35 dd 1H J 41 117 \| 35 34 m 1H \| 29 28 ddp 1H J 20 40 99 \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc(Cl)c(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1F	ir: 1 1 1 2 2 1 5 7 1 2 0 5 8 3 2 1 2 8 6 2 2 18 100 21 3 3 3 1 1 1 1 1 3 1 2 2 2 4 2 1 1 3 1 0 0 1 1 0 0 1 1 1 1 5 24 7 1 0 1 1 0 1 1 1 1 2 15 20 26 10 1 0 1 5 2 3 2 11 50 13 1 0 1 3 3 2 1 5 15 5 1 1 0 0 1 1 1 3 6 38 3 1 1 9 2 1 0 0 1 3 9 4 1 1 1 2 2 2 1 13 0 4 1 0 0 0 1 2 1 0 0 0 0 0 0 0 1 0 0 1 2 8 1 5 16 0 0 12 29 8 1 1 3 13 2 1 0 0 0 0 0 1 4 3 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 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 1 0 0 0 0 0 0 1 1 1 0 1 2 6 43 22 2 1 1 1 0 1 1 2 20 3 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 d 1H J 47 \| 75 74 d 1H J 78 \| 73 73 dq 1H J 9 19 \| 70 69 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccc(C(O)c2cc(Br)ccc2Cl)cc1F	ir: 0 1 1 1 1 1 2 1 1 1 0 0 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 2 1 1 0 0 0 1 1 0 1 1 1 1 0 3 1 1 1 1 0 0 0 0 0 0 1 4 4 3 3 0 1 1 1 3 1 1 1 2 3 2 3 1 2 4 1 1 1 0 0 1 2 1 1 1 2 3 6 3 6 15 8 9 3 1 3 4 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 1 1 1 1 2 1 2 2 4 1 0 1 0 1 0 2 1 2 0 0 0 0 0 0 0 0 0 1 1 3 2 1 0 0 1 1 3 4 4 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 2 1 0 0 1 1 0 1 1 1 1 1 1 2 0 2 4 13 26 4 4 1 2 1 3 6 100 8 2 1 0 0 0 0 0 1 0 0 0 0 1 0 0 1 0 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 0 0 0 0 0; 1HNMR: 76 76 m 1H \| 75 74 dd 1H J 22 79 \| 74 74 d 1H J 79 \| 72 72 ddd 1H J 8 22 123 \| 71 70 m 1H \| 70 69 dd 1H J 47 90 \| 61 61 m 1H \| 41 41 q 2H J 63 \| 33 33 d 1H J 55 \| 15 14 t 3H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1nc(C)nc(NC(=O)NS(=O)(=O)c2cccnc2N(C)C)n1	ir: 4 3 1 1 1 1 0 1 2 1 3 3 3 1 1 2 1 1 1 1 1 2 2 1 2 3 3 1 2 1 1 1 1 2 1 2 4 3 11 5 3 15 10 7 3 4 3 2 3 2 1 2 10 27 6 7 2 3 4 2 1 1 4 3 2 4 8 3 3 2 2 1 1 0 1 1 1 0 1 2 2 1 3 5 3 3 1 1 2 2 2 3 1 1 1 0 0 0 1 1 0 0 1 0 0 1 1 2 3 3 1 0 0 0 1 0 1 1 1 3 1 1 1 1 1 1 2 4 1 2 1 1 1 1 2 4 12 7 17 17 8 2 2 6 9 100 4 22 14 0 1 1 1 1 2 6 15 1 1 2 4 1 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 2 3 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 5 6 7 13 9 2 1 1 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 89 s 1H \| 84 84 dd 1H J 22 44 \| 81 80 dd 1H J 21 89 \| 78 78 s 1H \| 72 72 dd 1H J 44 90 \| 40 39 s 3H \| 32 32 s 6H \| 25 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(NS(=O)(=O)c2cccs2)cc1N1CCN(C)CC1	ir: 11 8 5 5 4 6 5 11 5 8 20 16 15 8 5 9 5 5 10 5 4 7 22 17 8 6 8 2 7 6 10 11 10 8 3 10 5 6 7 11 44 5 6 6 3 4 4 2 2 3 3 5 6 9 23 100 20 11 4 2 3 16 6 15 13 7 15 55 20 10 3 24 6 4 3 3 14 4 4 4 33 40 27 3 22 26 74 6 8 11 8 8 8 5 9 6 6 14 6 10 14 15 21 28 20 4 8 9 5 2 4 39 4 5 3 4 9 20 22 14 3 4 5 3 7 3 3 8 19 10 4 14 5 5 4 3 5 5 4 3 4 3 2 3 18 7 4 2 3 3 20 14 5 5 11 17 5 1 1 2 2 1 2 6 3 0 1 3 2 0 1 2 1 1 2 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 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 2 1 2 2 1 2 3 2 1 2 3 3 4 5 4 12 72 24 29 53 16 6 6 2 0 2 3 1 1 3 3 1 2 3 3 2 1 3 4 9 4 15 29 92 32 14 6 5 4 3 2 1 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 2 2 1 1 2 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; 1HNMR: 94 93 s 1H \| 76 76 dd 1H J 18 70 \| 74 74 dd 1H J 17 50 \| 72 72 dd 1H J 22 86 \| 72 71 dd 1H J 49 70 \| 68 68 d 1H J 87 \| 66 66 d 1H J 21 \| 39 38 s 3H \| 33 32 m 7H \| 30 30 m 2H \| 29 29 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSC(Nc1ccc(Cl)cc1)=C(C#N)C#N	ir: 1 3 6 7 1 8 12 14 21 38 8 5 3 3 5 6 3 20 24 12 19 16 9 5 4 23 9 13 2 8 8 4 5 6 7 3 3 3 4 4 2 4 13 7 5 4 5 3 5 4 3 2 3 4 42 13 7 8 10 7 7 6 1 0 4 8 8 6 4 22 3 1 4 4 2 2 3 4 2 1 3 4 1 4 4 3 3 3 4 7 1 1 4 3 1 2 5 16 2 2 4 5 2 4 11 58 6 4 6 3 1 4 8 5 6 13 13 25 5 4 6 3 2 5 11 2 1 2 4 2 1 3 4 2 2 8 38 12 5 12 9 5 3 4 7 7 4 8 5 2 11 50 7 6 66 10 3 0 1 4 3 1 6 28 4 1 2 4 2 0 2 4 2 0 2 4 2 0 2 3 3 2 3 3 2 1 3 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 0 1 3 2 0 2 3 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 3 1 0 2 3 1 1 3 3 1 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 1 3 3 2 2 3 3 2 2 4 3 2 2 4 4 3 4 4 4 5 19 13 21 57 17 13 10 4 5 4 3 2 3 6 4 2 4 5 3 3 6 4 4 4 6 7 41 100 50 39 13 9 13 8 2 2 4 3 2 2 3 3 1 1 3 2 0 2 3 2 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 3 3 1 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3; 1HNMR: 92 92 s 1H \| 73 73 m 2H \| 71 71 m 2H \| 24 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1CCc2ccccc21	ir: 11 6 4 4 8 10 9 5 5 8 12 4 2 3 2 2 2 2 2 5 1 2 2 1 2 6 11 19 4 4 4 3 4 6 7 1 2 2 2 4 22 45 62 33 7 3 4 2 6 7 2 3 2 3 2 5 9 3 2 4 6 2 4 5 2 1 2 3 3 2 2 2 2 6 15 5 3 2 1 1 2 2 2 1 4 11 32 44 36 9 5 5 14 12 2 2 3 16 48 13 1 2 2 2 1 2 1 2 2 9 25 40 13 17 18 9 7 6 4 4 7 7 4 4 1 3 4 4 5 14 17 4 2 2 3 1 3 27 4 8 12 3 2 9 20 7 3 0 7 24 2 2 1 1 1 1 1 2 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 3 2 2 3 5 7 6 3 10 10 11 4 14 30 13 28 100 33 22 3 0 3 2 1 1 2 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 ddt 1H J 8 13 74 \| 73 72 m 2H \| 71 70 ddd 1H J 24 66 81 \| 42 41 p 2H J 64 \| 40 39 m 1H \| 31 30 dddd 1H J 8 56 75 147 \| 30 29 dddd 1H J 7 56 75 146 \| 24 23 ddt 1H J 58 75 133 \| 22 21 ddt 1H J 57 73 132 \| 12 11 t 3H J 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1nc(Nc2ccc3cn[nH]c3c2)nc2[nH]cc(-c3cccnc3)c12	ir: 2 7 7 11 3 9 7 3 5 5 3 18 3 13 14 17 12 8 4 4 4 3 6 6 4 3 18 10 9 12 21 23 10 8 8 7 13 4 5 21 24 52 41 7 8 7 6 1 2 3 2 0 2 4 4 4 3 4 3 4 3 5 3 2 5 9 16 12 6 5 3 3 2 3 2 2 2 4 3 2 2 2 2 2 13 23 1 2 3 2 3 6 4 2 1 1 16 3 2 3 3 12 12 8 4 9 4 1 3 3 3 15 13 5 3 4 6 2 3 3 8 13 7 6 4 5 4 3 3 7 7 2 2 1 2 2 3 10 8 55 32 19 7 5 4 2 2 26 28 3 2 13 16 12 34 63 40 78 61 7 5 9 9 3 5 55 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 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 3 6 6 10 11 6 10 8 3 3 3 2 2 2 2 1 2 2 2 2 2 3 7 7 6 8 16 13 100 32 30 20 16 5 3 3 3 3 2 2 2 2 2 2 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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; 1HNMR: 98 98 d 1H J 70 \| 90 90 d 1H J 20 \| 87 86 dd 1H J 17 48 \| 86 86 s 1H \| 83 83 d 1H J 18 \| 79 78 dt 1H J 18 82 \| 78 78 dd 1H J 20 86 \| 75 75 d 1H J 21 \| 74 74 dd 1H J 22 84 \| 74 73 dd 1H J 48 83 \| 72 72 q 1H J 47 \| 70 69 d 1H J 70 \| 30 30 d 3H J 48	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1ccc(Nc2ncnc3ccc(Oc4cccnc4)cc23)n1	ir: 1 2 2 4 2 2 2 2 5 3 2 3 1 2 3 4 1 9 15 3 2 2 1 2 4 11 3 10 34 12 9 9 6 6 3 5 2 2 2 2 3 5 2 1 1 3 1 3 3 12 20 13 6 2 6 3 22 2 9 5 2 2 3 3 3 1 2 3 2 3 2 2 1 2 2 1 1 3 4 2 2 1 1 7 2 1 1 1 1 1 2 2 1 2 5 5 2 2 4 19 3 2 2 1 1 1 1 6 4 3 4 6 6 2 1 2 3 2 1 1 2 1 3 3 4 1 4 2 1 2 2 1 2 1 1 1 1 1 2 13 6 3 24 3 2 2 2 3 13 14 100 22 5 12 2 31 13 0 2 16 61 6 2 0 2 2 5 10 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 4 5 29 16 6 7 4 5 2 2 1 2 1 1 1 1 1 1 1 1 1 2 2 3 3 11 21 49 7 10 6 4 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 85 s 1H \| 83 83 ddd 1H J 14 21 42 \| 82 82 t 1H J 16 \| 80 80 s 1H \| 79 79 d 1H J 83 \| 76 76 d 1H J 28 \| 73 73 m 2H \| 72 71 m 2H \| 62 62 d 1H J 31 \| 39 38 d 3H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)C(C(=O)CC(O)c1ccccc1)=C(N)c1ccccc1	ir: 2 3 3 2 2 3 4 4 3 4 6 5 3 5 3 3 3 4 2 2 1 2 3 2 2 1 2 1 2 2 4 3 3 3 1 2 3 5 2 2 3 5 3 1 1 2 2 2 3 3 2 2 3 5 2 2 1 2 2 1 1 2 1 1 2 2 2 1 2 2 1 2 2 2 1 1 2 2 2 2 2 3 2 2 3 4 2 2 2 3 3 2 2 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 1 2 2 1 1 1 1 1 1 1 2 3 3 3 3 1 1 2 2 2 2 6 6 6 3 3 2 2 3 4 5 12 7 3 14 14 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 2 2 2 2 3 4 17 4 2 2 1 1 2 3 3 3 2 2 1 1 1 1 1 2 7 6 2 2 3 1 2 3 3 1 1 9 100 95 4 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 78 q 1H J 55 \| 77 76 m 2H \| 75 74 m 1H \| 74 73 m 8H \| 70 69 s 2H \| 53 52 td 1H J 58 75 \| 39 38 d 1H J 59 \| 33 32 dd 1H J 75 165 \| 30 30 d 3H J 55 \| 30 29 dd 1H J 76 166	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1nc(OC)c(C=CC(C)=O)c(OC)n1	ir: 2 1 0 1 2 1 0 1 2 1 0 2 2 1 2 4 2 1 1 2 2 1 2 5 11 8 2 2 1 1 1 2 1 1 1 2 1 1 3 4 18 53 19 3 5 1 1 2 2 0 1 3 1 0 2 2 1 1 5 2 1 0 1 2 2 1 2 2 2 2 2 7 3 1 1 4 1 0 5 13 1 2 4 8 9 3 1 1 1 1 1 1 1 1 2 1 0 1 1 1 1 2 4 2 1 1 2 1 0 1 2 1 0 1 2 2 3 3 3 3 2 11 10 6 3 6 4 2 10 12 6 1 1 1 2 2 2 3 3 4 15 84 17 4 10 6 7 3 2 6 100 26 2 2 1 0 1 2 1 0 1 2 2 1 2 2 14 5 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 2 3 2 3 3 8 16 12 7 3 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 76 75 d 1H J 172 \| 69 68 dq 1H J 10 170 \| 40 39 d 9H J 75 \| 24 24 d 3H J 11	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1NC(=O)c2ccc([N+](=O)[O-])c3cccc1c23	ir: 3 1 1 2 2 1 1 1 3 3 1 3 4 1 1 1 1 1 2 5 2 2 1 1 1 1 3 1 2 3 4 5 1 1 2 1 1 10 5 1 1 1 1 1 2 10 33 6 4 3 17 100 64 8 6 21 15 7 18 3 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 3 2 2 1 1 2 6 3 1 1 1 1 1 1 1 1 1 2 2 3 12 1 1 2 2 3 9 7 2 1 1 1 1 1 1 1 1 9 1 2 2 3 17 45 42 12 12 2 1 1 1 1 1 2 5 2 1 1 1 1 2 2 4 2 3 10 29 19 1 1 2 8 1 1 3 1 0 7 19 12 16 52 59 4 8 2 7 34 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 2 8 11 63 25 5 4 4 2 2 1 1 1 0 1 1 1 1 1 1 1 1 1 1 3 6 17 10 69 5 2 1 1 1 1 1 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 m 2H \| 84 84 dd 1H J 14 77 \| 82 82 d 1H J 86 \| 79 78 t 1H J 78	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@@H](N)CC(=O)O	ir: 1 1 1 1 0 1 7 2 1 1 1 1 3 2 1 1 1 4 5 4 29 81 20 7 3 4 0 1 1 0 0 1 1 1 0 1 1 1 0 1 2 3 1 1 2 1 2 2 4 3 2 2 1 2 1 1 2 25 13 1 1 1 2 14 18 2 2 8 11 5 4 8 4 4 6 29 17 8 40 46 2 1 16 8 2 2 3 5 1 1 1 1 1 1 2 1 1 2 2 4 1 1 2 1 1 1 1 1 1 1 1 1 2 4 4 1 1 1 2 1 1 1 1 3 3 3 2 3 10 5 28 11 21 4 5 19 25 3 1 2 1 1 2 15 4 2 2 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 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 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 4 4 1 1 1 1 0 0 1 0 0 1 2 30 26 37 3 11 19 22 8 2 2 2 2 14 58 100 3 3 2 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 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; 1HNMR: 41 41 d 2H J 67 \| 31 30 m 1H \| 26 25 dd 1H J 73 172 \| 24 23 dd 1H J 73 172 \| 17 15 dqd 1H J 47 67 135 \| 14 13 dqd 1H J 48 68 137 \| 9 9 td 3H J 15 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccnc(NN)c1	ir: 1 0 1 1 1 2 1 1 0 1 0 1 1 1 1 1 0 1 2 2 2 3 3 1 1 7 16 16 9 2 2 2 5 7 24 5 1 1 3 4 4 2 1 1 2 1 1 1 1 1 1 1 1 0 1 0 1 1 0 0 1 1 1 1 1 1 1 9 0 0 1 1 0 2 1 4 2 1 1 0 0 1 1 0 1 1 1 1 1 3 7 7 4 1 0 0 1 0 1 1 3 2 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 1 1 1 1 1 1 0 0 3 1 1 0 0 0 0 1 0 1 2 14 12 9 2 4 4 1 1 1 2 3 1 1 1 1 0 0 1 15 12 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 4 1 4 2 1 0 0 1 0 0 0 1 0 0 1 6 13 1 1 1 0 0 2 3 1 100 6 10 5 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 d 1H J 49 \| 69 69 d 1H J 23 \| 68 68 m 1H \| 60 60 t 1H J 38 \| 45 45 d 2H J 37 \| 24 23 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)NC1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1	ir: 1 2 2 1 3 2 2 1 0 1 1 1 0 1 4 2 1 1 1 1 1 2 2 3 6 2 1 1 1 2 2 2 3 3 3 1 1 3 9 3 6 35 40 12 10 4 2 3 2 1 1 1 6 19 18 12 9 3 6 4 2 4 1 1 2 2 1 2 3 8 37 4 2 3 2 6 5 4 6 3 1 1 1 2 2 2 5 12 88 5 1 1 2 3 2 2 3 4 3 22 8 6 18 27 34 17 4 7 5 4 4 6 17 9 7 10 5 4 3 4 3 4 1 3 4 4 6 4 5 3 2 1 2 1 1 3 4 5 2 1 2 2 2 1 1 2 3 3 7 6 20 25 47 59 8 5 3 0 1 2 2 0 2 40 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 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 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 1 1 2 3 5 7 9 8 7 12 5 4 3 2 1 2 2 1 1 2 1 3 2 2 2 1 2 1 5 13 100 50 39 44 17 7 8 3 2 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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: 78 78 m 2H \| 77 77 dq 2H J 14 74 \| 75 75 s 1H \| 63 63 d 1H J 77 \| 44 43 d 1H J 95 \| 35 34 dp 1H J 50 77 \| 32 31 dp 1H J 59 93 \| 30 30 s 2H \| 19 18 m 4H \| 16 15 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=S)NN1Cc2c(C)ccc(C)c2C1	ir: 1 1 0 1 1 1 0 1 1 1 0 1 1 3 1 2 2 1 7 12 4 16 1 2 3 1 2 3 3 5 1 3 3 15 5 10 88 65 12 1 2 3 2 1 1 1 1 2 5 1 1 0 2 12 1 1 1 2 1 1 1 1 2 5 6 2 2 2 4 2 4 4 2 1 5 1 1 0 1 1 1 1 1 1 1 2 2 3 5 2 5 8 6 2 32 4 3 5 10 2 3 11 2 2 2 1 2 1 1 1 1 1 1 1 2 2 1 4 3 28 2 3 5 5 4 5 13 4 2 1 1 1 1 1 1 1 1 1 1 1 4 7 12 9 1 2 2 3 2 24 100 5 9 1 1 2 1 1 1 8 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 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 1 1 1 1 2 2 1 1 1 1 2 2 2 1 1 2 1 2 2 8 9 4 7 4 5 4 2 2 1 1 2 1 1 1 1 1 1 1 1 1 2 1 3 9 25 9 57 64 8 5 2 1 2 1 1 1 1 1 1 1 1 1 2 2 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 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0; 1HNMR: 88 88 s 1H \| 71 70 s 2H \| 66 65 q 1H J 45 \| 41 41 s 4H \| 31 30 d 3H J 44 \| 23 22 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(c1ccccc1)N1CCSCC1	ir: 10 8 3 7 7 7 2 14 12 27 17 6 5 5 3 4 1 2 3 2 2 2 3 18 5 4 4 3 4 31 8 7 17 15 8 6 4 2 5 10 38 22 15 10 7 5 6 6 4 6 2 2 4 3 2 5 2 1 2 3 2 3 3 2 5 5 4 5 9 20 6 2 2 5 7 2 6 3 3 3 2 4 12 25 10 7 7 6 12 18 3 22 17 6 9 8 6 5 14 23 22 8 7 3 5 3 5 6 20 6 5 4 7 7 7 8 12 10 6 4 3 5 3 4 6 5 5 3 5 10 4 2 3 4 16 42 3 2 2 2 3 5 59 24 61 10 6 5 2 2 2 0 20 2 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 3 2 3 2 3 5 3 5 7 4 2 4 8 8 2 19 15 35 100 7 19 5 4 6 3 3 6 3 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 m 5H \| 46 45 s 1H \| 43 41 m 2H \| 32 31 ddd 2H J 35 60 115 \| 31 30 ddd 2H J 35 62 115 \| 29 28 ddd 2H J 36 62 126 \| 28 27 ddd 2H J 35 60 125 \| 13 12 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOCc1cnc(Cl)nc1	ir: 1 1 1 2 0 1 1 2 1 2 3 1 5 2 3 1 0 1 1 0 0 1 1 0 1 3 5 1 0 1 7 2 5 7 13 100 30 13 2 2 1 1 1 1 1 2 4 9 2 1 1 1 1 1 1 0 1 1 1 1 1 2 3 2 1 2 2 3 4 2 2 1 2 7 12 3 2 1 1 1 1 1 0 1 1 2 1 0 1 1 0 1 1 2 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 3 2 79 14 7 3 6 3 3 2 2 3 3 2 1 1 1 1 1 0 1 5 24 51 3 0 0 1 1 0 0 1 1 0 1 10 7 12 1 2 1 0 5 12 2 1 1 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 8 3 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 84 83 t 2H J 9 \| 48 48 t 2H J 9 \| 36 35 q 2H J 60 \| 12 12 t 3H J 59	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cccc(C2=CCC3(CC2)OCCO3)n1	ir: 5 4 4 3 3 2 4 5 5 7 9 6 9 5 9 5 2 3 4 5 1 2 3 2 1 2 2 1 2 2 2 1 3 6 10 4 3 3 2 2 3 1 2 1 3 3 23 32 10 5 2 1 2 2 2 1 3 4 3 0 2 3 3 3 4 2 3 3 2 2 1 1 1 2 1 3 2 2 2 1 3 4 6 3 2 2 2 1 3 2 1 2 2 2 1 1 2 1 1 1 1 1 1 1 2 1 5 3 3 2 2 2 2 2 1 1 2 4 3 2 2 2 2 3 2 3 5 3 7 4 6 3 2 5 4 4 4 14 24 1 1 1 3 1 1 6 6 5 3 20 13 5 6 14 2 2 10 57 9 16 3 1 2 2 1 0 1 2 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 2 1 1 2 2 1 1 2 2 1 6 5 6 13 12 6 3 2 2 1 1 0 1 1 1 0 1 1 1 2 3 5 8 3 2 1 0 1 1 1 1 1 6 35 100 8 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 74 73 t 1H J 79 \| 71 71 dd 1H J 11 81 \| 66 65 dd 1H J 11 77 \| 65 65 tt 1H J 9 57 \| 52 52 s 2H \| 40 39 m 2H \| 39 38 m 2H \| 29 29 m 2H \| 24 24 dt 2H J 10 57 \| 21 20 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(c1nc(Nc2cnn(C)c2)ncc1Cl)C1CC2CNCC2C1	ir: 1 1 0 1 1 1 1 2 2 1 0 1 1 1 3 10 19 5 2 4 2 1 1 1 1 1 1 1 4 8 8 4 5 3 5 2 3 2 2 12 47 34 15 12 4 3 1 4 7 1 2 1 1 1 2 2 3 0 1 2 2 4 7 5 10 7 4 6 6 8 10 11 4 2 1 1 1 3 2 2 1 1 0 1 1 7 5 2 2 2 6 9 2 1 1 1 3 1 1 1 2 3 3 7 6 8 11 12 14 11 16 7 2 3 2 1 1 2 2 2 2 2 3 3 1 3 5 9 6 1 1 1 2 2 1 9 9 1 0 1 1 1 3 1 2 25 23 28 100 5 8 2 1 1 1 8 14 1 1 0 1 43 28 2 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 2 1 1 1 2 2 1 2 3 0 1 1 2 1 2 2 1 1 1 1 1 0 1 1 0 0 1 1 1 2 8 25 1 0 5 27 30 43 29 11 2 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 s 1H \| 82 82 s 1H \| 73 73 d 2H J 78 \| 41 40 pq 1H J 16 71 \| 39 38 s 3H \| 33 32 d 3H J 15 \| 31 30 ddd 2H J 16 43 123 \| 28 28 ddd 2H J 16 43 121 \| 26 25 p 1H J 44 \| 24 23 tt 2H J 12 24 \| 22 22 ddd 2H J 37 71 130 \| 20 19 ddd 2H J 36 70 128	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CC2=CC(=O)CC[C@]2(CO)[C@H]2CC[C@]3(C)[C@H](O)CC[C@H]3[C@H]12	ir: 1 1 1 1 2 1 0 1 1 1 1 1 1 0 0 1 1 0 1 2 6 1 1 1 1 1 2 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 0 2 0 0 1 1 1 1 1 1 2 1 2 2 1 0 1 2 2 1 3 3 3 3 1 1 1 1 1 6 3 4 7 23 10 13 10 4 4 5 1 1 0 1 1 1 0 1 1 3 1 2 1 3 1 1 2 1 2 2 3 3 2 2 3 1 4 1 3 2 2 1 1 1 0 1 1 1 1 1 1 1 1 1 3 5 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 2 2 1 1 1 2 3 2 2 1 1 3 3 2 3 5 3 4 3 3 2 1 1 2 6 24 100 9 2 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 58 57 p 1H J 9 \| 40 40 dd 1H J 60 103 \| 38 38 dd 1H J 60 103 \| 37 36 dddd 1H J 14 35 53 71 \| 34 33 t 1H J 59 \| 29 28 d 1H J 53 \| 27 26 dddd 1H J 8 62 90 145 \| 25 24 dddd 1H J 9 64 92 147 \| 24 24 ddd 1H J 9 39 148 \| 22 21 ddd 1H J 9 68 150 \| 21 20 ddd 1H J 62 90 128 \| 19 14 m 11H \| 14 13 m 2H \| 13 12 ddt 1H J 37 84 100 \| 9 9 d 3H J 68 \| 8 8 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccc(Cl)cc1Cl)N1CC[C@H](NCc2ccnc3ccccc23)C[C@H]1Cc1ccccc1	ir: 5 3 3 4 4 4 3 2 1 3 7 4 6 3 4 7 3 2 3 3 5 2 2 3 7 3 2 2 4 6 8 12 3 4 5 17 12 14 27 32 14 18 21 28 17 8 13 6 7 7 6 4 3 7 41 0 8 4 11 4 4 4 5 8 7 18 19 5 6 6 3 3 6 7 5 7 8 8 9 4 8 4 2 2 4 4 2 2 8 9 2 3 5 6 6 9 4 6 6 3 3 2 4 3 5 10 21 23 37 6 3 5 5 4 4 8 10 14 6 7 9 15 14 8 5 8 10 8 4 5 6 8 7 8 13 14 7 22 10 17 12 5 10 15 7 4 3 5 27 17 8 8 5 3 2 4 27 5 6 43 11 2 3 4 6 2 2 2 2 1 2 2 2 2 2 2 2 2 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 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 3 3 3 3 4 3 2 4 3 5 5 11 9 18 100 28 18 7 7 5 4 2 2 2 3 2 3 3 2 2 3 4 8 26 65 7 4 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 87 86 d 1H J 42 \| 81 80 m 2H \| 77 76 m 2H \| 76 76 d 1H J 21 \| 75 74 ddd 1H J 13 70 84 \| 74 74 m 2H \| 73 73 m 2H \| 73 72 m 1H \| 72 72 ddt 2H J 10 17 65 \| 43 42 ddd 1H J 8 51 154 \| 41 40 m 2H \| 39 38 ddd 1H J 61 89 130 \| 37 36 ddd 1H J 61 89 128 \| 31 30 m 2H \| 30 29 ddt 1H J 7 81 128 \| 28 27 ddt 1H J 9 83 130 \| 22 20 m 2H \| 20 19 m 1H \| 19 18 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CNc2cc(N3C(=O)C4=C(CCCC4)C3=O)c(F)cc2O1	ir: 3 2 4 4 4 6 5 4 1 3 5 2 2 2 2 2 2 4 7 10 9 5 5 2 2 3 2 2 2 2 2 2 1 2 2 2 2 2 2 2 3 4 5 5 5 9 3 33 5 2 4 5 3 3 4 4 3 2 2 2 2 2 3 5 2 5 16 45 8 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 5 13 4 5 6 2 2 2 3 2 2 2 2 4 5 10 6 11 4 3 6 12 6 6 8 3 3 7 3 2 3 6 3 1 16 9 2 2 2 4 23 3 3 12 39 4 100 7 3 7 10 4 1 8 3 7 18 3 28 26 0 1 2 2 1 1 2 3 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 2 2 1 1 2 2 1 1 2 2 1 2 1 2 1 1 2 2 1 2 2 2 2 2 3 3 4 2 2 3 2 3 2 3 6 19 6 5 10 9 4 2 1 3 2 2 1 2 2 2 2 2 2 1 2 3 5 10 6 7 10 18 28 73 33 6 4 6 4 4 7 2 2 1 2 2 2 2 2 3 2 1 2 2 1 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 2 2 2 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 72 71 m 2H \| 60 59 t 1H J 50 \| 42 41 d 2H J 49 \| 24 23 m 4H \| 18 17 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C2(C=O)CC2)c(F)c1OC	ir: 2 6 10 8 6 4 6 3 1 3 5 3 1 3 4 3 1 4 5 2 3 7 9 4 2 7 8 6 18 18 11 5 11 8 11 2 3 6 5 7 15 11 10 8 29 13 9 12 10 12 14 13 14 24 26 32 24 17 42 14 18 12 5 2 7 9 4 4 11 16 9 9 11 29 13 30 21 14 23 22 7 7 3 5 11 8 4 5 20 67 13 3 5 5 1 2 10 16 5 8 15 21 11 27 100 5 2 11 11 4 2 5 8 5 24 17 7 6 8 6 8 5 4 11 22 14 3 9 7 21 12 5 4 3 2 4 4 3 3 4 5 12 12 14 13 6 7 10 11 30 36 64 45 31 8 13 5 1 2 6 8 4 3 5 3 1 3 5 3 0 3 5 2 0 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 5 5 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 3 2 2 4 4 2 3 5 4 3 2 5 5 2 3 3 3 2 2 2 3 6 65 24 22 7 16 22 23 37 23 17 28 21 13 5 5 2 3 5 3 1 4 5 3 2 3 4 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4; 1HNMR: 96 96 p 1H J 9 \| 72 71 dd 1H J 46 81 \| 67 66 d 1H J 81 \| 39 39 s 3H \| 39 38 s 3H \| 18 17 m 2H \| 15 14 ddt 2H J 7 77 88	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCCCCCCC(=O)Nc1ccc(C(=O)O)cc1C	ir: 1 1 1 2 3 2 1 1 1 1 1 1 2 4 1 4 6 5 7 3 3 21 44 18 4 3 2 2 2 2 3 4 3 4 2 4 4 6 5 2 3 1 2 3 1 2 1 2 2 3 1 2 1 1 8 16 16 3 2 0 1 1 1 1 1 2 1 1 2 2 2 1 1 2 1 2 21 12 4 7 15 3 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 2 1 2 5 1 2 1 2 3 5 4 1 5 2 2 3 2 2 2 6 11 7 5 8 2 2 1 3 2 0 1 1 1 1 1 1 1 1 1 1 4 4 1 1 1 1 1 4 45 9 5 2 1 7 24 3 2 1 2 8 1 1 1 1 1 1 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 0 0 1 1 0 1 1 0 1 1 0 1 0 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 2 3 4 3 2 1 2 1 1 2 2 6 11 5 2 14 9 1 1 2 1 0 1 5 52 100 3 0 1 2 0 0 1 1 1 1 2 3 27 28 5 2 1 1 1 1 1 1 1 0 0 0 1 0 0 0 0 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 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0; 1HNMR: 87 86 s 1H \| 79 79 d 1H J 22 \| 79 78 dd 1H J 21 85 \| 72 72 d 1H J 84 \| 23 23 t 2H J 84 \| 23 23 s 3H \| 17 16 p 2H J 80 \| 14 12 m 7H \| 13 12 s 14H \| 13 12 s 4H \| 9 9 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C(=O)OCC)c1ccc(C2OCCO2)nc1	ir: 3 2 2 3 7 3 2 2 3 3 4 1 1 1 1 1 1 1 1 3 1 1 0 1 1 2 5 1 1 1 1 1 3 1 1 2 5 5 4 1 1 2 3 1 1 1 1 1 1 1 1 1 1 3 8 12 2 1 3 1 3 2 2 2 1 1 2 1 0 2 4 2 2 4 18 4 4 3 2 0 1 1 0 0 0 1 1 2 1 1 1 1 1 1 0 2 1 1 2 2 9 1 1 1 1 2 1 1 2 1 1 2 1 3 1 1 2 3 3 2 6 5 6 6 2 3 2 3 3 7 6 1 3 1 0 1 2 8 11 2 3 1 3 16 100 11 4 2 1 3 5 0 1 1 1 0 0 1 0 0 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 1 1 1 0 3 2 3 2 2 5 7 1 3 8 7 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 m 1H \| 79 78 m 1H \| 76 76 dd 1H J 6 82 \| 60 59 s 1H \| 48 48 d 1H J 7 \| 42 41 qd 4H J 34 64 \| 41 40 m 2H \| 39 39 m 2H \| 13 12 t 6H J 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(N2C3CCC2CC(=O)C3)c2ccccc12	ir: 6 6 6 5 4 9 11 6 7 7 8 5 5 5 6 6 8 16 8 6 6 5 7 6 5 6 6 7 5 6 6 5 5 6 6 5 9 11 7 6 5 8 7 0 100 3 6 8 10 6 6 7 6 6 7 15 8 5 6 6 6 13 6 5 5 5 5 8 5 7 5 5 6 11 8 10 7 5 5 5 6 9 7 6 5 5 6 5 6 6 5 6 7 11 18 6 5 5 6 7 5 5 7 8 18 10 9 14 8 6 5 6 6 9 10 10 8 6 7 9 7 8 8 28 14 12 9 6 5 6 20 10 8 6 16 7 5 5 5 6 7 5 5 9 15 32 7 7 9 32 30 10 6 5 5 5 5 7 5 5 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 31 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 7 8 7 11 7 7 7 8 6 8 7 12 27 9 20 43 31 31 14 5 6 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 83 83 m 1H \| 81 81 m 1H \| 77 76 m 2H \| 76 75 td 1H J 13 76 \| 71 70 d 1H J 83 \| 42 41 m 2H \| 29 28 dd 2H J 57 150 \| 26 25 dd 2H J 57 148 \| 21 20 m 2H \| 18 17 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C2CCN(CCN)c3ccccc32)COC1	ir: 1 2 1 3 4 2 1 5 5 3 5 5 1 2 1 1 3 1 4 3 2 2 0 1 1 1 2 2 1 1 1 3 3 2 1 1 2 3 2 3 2 5 45 64 16 24 8 9 7 8 1 4 14 10 14 8 40 42 14 23 12 8 4 5 11 17 26 17 13 17 11 33 100 96 12 17 52 20 10 32 11 26 6 8 2 4 4 11 22 8 9 3 3 3 6 8 3 3 5 4 3 3 2 2 2 1 2 1 1 2 4 2 3 5 7 3 1 4 4 9 18 16 10 12 8 8 19 21 8 25 17 24 12 36 29 9 6 6 15 10 2 2 1 3 4 11 26 21 2 4 11 10 6 2 3 3 2 1 1 1 2 6 1 1 1 1 1 1 1 1 1 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 0 1 0 1 1 0 0 1 1 1 2 1 2 1 2 2 3 5 4 2 2 2 4 6 10 3 10 33 58 20 7 4 2 1 2 5 3 3 6 6 7 12 29 16 15 10 10 14 15 50 64 10 5 2 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 72 71 m 2H \| 69 68 m 1H \| 67 66 dd 1H J 14 78 \| 39 39 d 2H J 99 \| 37 36 d 2H J 99 \| 35 34 ddd 1H J 57 84 121 \| 34 33 ddd 1H J 57 84 121 \| 33 33 t 2H J 52 \| 29 29 tt 2H J 51 68 \| 28 28 m 1H \| 21 20 m 1H \| 19 18 dddd 1H J 51 59 84 126 \| 16 16 t 2H J 68 \| 11 10 d 3H J 14	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)O	ir: 2 3 3 6 6 2 4 6 3 7 10 23 4 3 10 3 3 6 9 25 32 42 15 5 3 3 4 3 1 1 2 2 7 2 2 2 1 1 3 2 2 2 3 4 6 3 14 10 6 13 14 14 3 5 42 22 3 2 6 11 14 2 4 2 4 20 68 14 4 13 8 20 7 6 4 9 5 11 20 25 8 45 5 21 85 15 9 3 22 4 2 2 2 3 3 11 15 4 5 3 3 7 10 15 22 47 14 21 13 12 7 2 5 5 3 3 0 6 8 2 1 4 3 6 1 3 4 6 5 2 3 1 1 2 2 2 2 1 2 1 1 2 7 72 12 9 8 1 3 4 1 1 1 1 1 1 0 1 1 0 3 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 4 4 4 5 27 10 7 9 2 3 2 2 2 2 7 60 20 3 1 1 1 1 2 3 3 4 25 100 13 5 2 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 94 93 s 1H \| 79 78 m 2H \| 77 77 d 1H J 103 \| 73 72 m 2H \| 38 37 dt 1H J 79 102 \| 17 15 m 2H \| 14 13 dt 1H J 79 126 \| 9 9 d 3H J 65 \| 8 8 d 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(-c2cccc(C3(CCCN)CCN(c4ncnc5[nH]cnc45)CC3)c2)cn1	ir: 7 4 5 7 14 11 16 25 39 23 12 9 0 6 9 7 9 7 6 4 2 5 3 2 1 3 2 2 2 3 3 8 10 6 8 8 20 4 4 5 3 7 3 13 25 63 22 24 31 16 6 2 9 23 15 9 46 22 29 5 21 5 6 1 9 8 6 8 7 23 30 10 10 22 17 15 19 13 10 13 14 10 8 7 18 4 7 6 6 30 27 8 5 4 3 6 2 13 16 4 3 1 3 2 4 3 3 6 4 1 8 11 3 5 7 4 2 10 15 13 19 9 9 18 19 10 22 13 13 22 40 35 32 55 63 11 22 18 10 2 3 4 14 51 10 16 29 21 8 9 12 3 3 4 5 1 1 1 2 6 2 1 1 2 3 3 1 1 1 1 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 0 0 0 1 1 1 1 1 0 0 1 1 0 1 1 1 1 2 2 3 4 3 4 4 3 5 7 3 5 7 5 14 11 27 11 12 14 8 4 2 4 2 5 5 12 24 24 54 52 8 6 14 7 8 100 37 15 57 17 3 1 2 2 1 1 1 1 1 1 1 2 1 0 1 1 1 1 1 1 0 1 1 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 83 s 1H \| 82 81 s 1H \| 81 80 d 1H J 57 \| 78 77 s 1H \| 75 74 m 3H \| 74 73 m 1H \| 39 39 s 3H \| 38 37 ddd 2H J 44 71 139 \| 35 34 ddd 2H J 43 70 139 \| 28 27 tt 2H J 52 59 \| 23 22 ddd 2H J 44 71 130 \| 20 19 ddd 2H J 44 71 132 \| 18 17 td 2H J 8 71 \| 17 16 m 2H \| 15 14 t 2H J 59	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccccc1OCC(=O)Cl	ir: 5 7 0 11 12 9 2 4 8 8 4 4 6 5 2 6 6 3 3 7 13 5 4 5 4 1 2 3 4 1 2 5 5 2 7 8 5 2 3 6 8 13 100 36 8 1 3 7 10 3 5 11 6 2 3 7 3 0 2 5 3 1 4 11 3 1 5 8 13 3 19 8 11 25 21 35 9 0 5 6 1 3 10 10 6 7 8 9 3 3 4 4 1 2 4 5 1 2 5 3 0 2 5 3 0 2 5 3 0 3 6 3 3 4 9 5 3 7 24 8 2 5 7 3 2 5 8 3 4 8 7 3 2 7 6 4 13 36 29 9 7 8 9 4 2 4 4 9 30 12 4 1 2 3 3 1 2 4 4 4 2 4 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 3 4 2 1 3 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 4 3 1 2 4 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 3 4 2 1 3 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 3 1 2 3 3 2 3 5 4 3 3 9 5 2 3 5 5 4 5 10 24 2 10 59 28 4 5 5 3 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4 2 1; 1HNMR: 69 68 m 4H \| 51 51 s 2H \| 41 41 q 2H J 63 \| 15 14 t 3H J 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(O)c1ccccc1CCCSC(c1cccc(C2OCCO2)c1)C1(CC(=O)O)CC1	ir: 1 2 2 4 3 2 4 2 2 3 3 2 5 8 3 5 3 3 3 7 10 16 18 8 6 6 1 2 3 2 1 2 4 1 2 2 2 2 2 5 2 5 18 17 4 6 14 5 9 4 3 3 4 5 5 0 3 2 5 8 3 3 3 2 2 1 2 1 3 4 6 2 2 6 9 3 10 10 18 22 16 10 3 2 5 15 19 6 6 6 3 3 2 3 6 2 2 4 4 9 3 2 3 3 2 1 2 4 4 7 5 3 3 3 2 4 4 4 3 4 5 3 3 1 3 2 3 4 5 8 5 3 1 1 2 1 2 5 3 2 4 8 3 22 7 3 2 3 2 7 13 3 2 6 5 6 1 1 1 1 1 0 3 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 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 1 1 2 2 3 2 3 2 3 2 8 6 3 23 11 12 25 18 8 7 3 5 5 6 10 100 37 6 5 1 0 2 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 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; 1HNMR: 74 73 m 4H \| 73 73 m 1H \| 72 71 m 1H \| 71 71 m 2H \| 57 57 s 1H \| 41 40 m 3H \| 40 39 m 2H \| 36 35 d 1H J 8 \| 28 27 m 3H \| 27 26 dt 1H J 56 134 \| 24 24 s 2H \| 19 18 qt 2H J 57 69 \| 16 15 m 2H \| 15 15 s 6H \| 13 13 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc3c(ccn3C)c2)c2ncc(Cl)cc2Cl)cc1	ir: 9 15 13 15 35 11 9 5 9 9 4 5 4 6 10 14 29 40 34 12 8 3 3 3 4 4 3 6 4 4 4 19 10 21 12 7 9 14 14 12 5 3 3 5 3 2 3 5 4 7 9 7 5 8 36 56 18 0 8 7 5 4 5 5 5 15 13 21 5 18 9 5 3 2 6 10 11 14 8 16 29 11 10 61 53 61 27 28 24 22 10 6 5 3 3 4 5 5 3 13 27 8 11 6 4 12 20 9 3 3 3 3 3 4 6 29 18 12 11 22 18 11 8 6 7 14 11 5 4 5 3 4 3 4 36 39 3 7 8 14 6 16 30 36 59 8 6 3 9 10 9 24 35 9 7 4 4 10 8 2 3 3 3 3 2 4 3 2 3 4 3 2 3 4 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 1 2 3 2 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 4 3 2 3 4 3 2 3 4 4 2 6 8 15 10 30 100 49 21 21 16 5 5 8 5 4 4 3 3 2 3 3 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 83 82 d 1H J 16 \| 80 80 m 2H \| 79 78 m 2H \| 77 77 h 1H J 9 \| 77 76 d 1H J 18 \| 74 74 d 1H J 80 \| 73 72 ddd 1H J 10 21 81 \| 72 72 m 1H \| 64 64 dd 1H J 22 51 \| 51 50 t 2H J 9 \| 39 39 s 2H \| 37 37 d 3H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(Cc1ccc(NC(=O)OC(C)(C)C)nc1)=C(C)CC	ir: 5 8 3 6 10 2 4 3 4 4 5 3 2 4 2 2 2 1 1 2 1 0 1 1 1 1 1 2 2 1 2 3 6 3 3 8 17 22 14 2 2 2 3 5 2 2 2 2 2 1 1 2 4 3 20 12 4 2 1 1 1 2 1 1 1 0 0 1 1 3 5 4 2 2 1 1 2 5 2 1 4 2 1 0 0 0 0 1 2 0 1 4 5 3 1 2 4 5 5 5 4 1 1 1 1 1 0 1 1 7 1 1 1 2 2 2 4 3 4 5 2 6 3 2 4 5 2 3 6 5 9 4 2 2 1 2 0 4 3 7 7 2 1 1 3 2 10 31 5 11 33 9 11 9 4 4 5 4 1 2 5 38 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 0 0 0 2 1 1 1 1 1 3 11 17 10 8 2 7 3 4 1 1 1 0 0 0 1 0 1 1 1 1 1 1 2 1 0 0 1 3 6 100 41 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 0 0 0 0 0 0 0 0; 1HNMR: 86 85 s 1H \| 81 81 td 1H J 6 15 \| 77 76 m 2H \| 42 41 q 2H J 71 \| 37 37 h 2H J 10 \| 24 23 qt 2H J 10 78 \| 20 19 t 3H J 10 \| 15 14 s 8H \| 12 12 t 3H J 71 \| 10 10 t 3H J 79	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(C2(NC(=O)[C@H]3CCCCN3Cc3cccc(F)c3)CC2)cc1	ir: 5 5 3 3 4 6 20 14 7 2 4 4 3 6 5 14 19 17 60 7 2 4 6 3 4 8 9 14 11 61 14 4 7 4 4 2 24 16 21 14 18 51 10 12 6 7 21 29 8 8 6 0 7 6 5 26 53 5 10 8 6 8 4 3 3 4 4 8 45 15 19 13 5 2 3 7 5 6 6 9 4 8 35 13 6 3 4 9 18 16 11 9 5 6 4 3 2 3 13 5 13 10 5 10 3 3 2 4 5 11 13 5 2 8 8 22 22 11 18 11 13 6 5 11 9 11 7 6 5 10 5 6 8 11 9 4 4 4 5 18 12 6 14 32 50 31 8 47 14 7 7 39 12 8 5 30 3 3 4 9 18 2 2 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 4 5 4 3 3 4 6 6 28 12 8 27 17 100 61 64 17 5 13 5 3 5 8 4 2 5 5 3 3 3 3 6 7 3 3 3 3 4 7 9 71 31 8 2 2 2 3 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 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; 1HNMR: 79 79 m 2H \| 74 74 m 3H \| 74 73 td 1H J 51 78 \| 72 71 ddq 1H J 10 21 79 \| 71 70 dddd 1H J 12 22 79 100 \| 70 69 dtt 1H J 9 22 121 \| 39 39 s 2H \| 39 38 dt 1H J 8 123 \| 35 35 dt 1H J 9 124 \| 34 34 dd 1H J 34 60 \| 30 29 dtd 1H J 21 39 123 \| 28 27 m 1H \| 20 19 m 3H \| 18 15 m 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cccc(N)c1NCCCCO	ir: 5 7 9 12 11 13 16 12 4 12 5 14 10 9 6 4 9 7 5 3 11 16 3 14 11 6 2 4 4 4 5 4 3 2 4 7 6 6 4 9 8 10 28 7 6 15 11 13 17 7 9 2 2 4 3 2 2 3 3 3 3 3 3 1 3 5 5 4 3 2 4 2 4 2 10 8 5 3 4 8 22 8 4 2 4 5 5 13 8 19 9 8 14 7 3 4 13 8 5 4 5 2 6 2 3 2 2 2 4 6 1 6 7 5 3 3 3 10 10 7 2 4 9 5 5 4 3 8 2 4 17 15 3 4 10 10 3 2 3 3 2 2 2 5 4 11 10 3 8 1 59 18 26 59 41 6 3 3 2 4 29 3 2 2 2 2 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 2 2 2 2 2 4 5 3 2 2 4 5 4 4 4 6 8 3 10 19 10 6 9 9 12 28 34 62 23 9 8 4 4 3 6 4 4 8 21 7 7 5 20 41 45 27 14 7 1 15 100 0 8 6 0 1 3 2 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 76 dd 1H J 11 84 \| 73 72 t 1H J 54 \| 70 70 m 1H \| 69 68 dd 1H J 11 82 \| 43 43 s 2H \| 39 38 s 2H \| 36 35 q 2H J 55 \| 33 32 q 2H J 50 \| 29 29 t 1H J 59 \| 17 16 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1=CN(CC)c2cc(C#N)c(F)cc2C1	ir: 8 6 0 4 6 2 0 3 3 9 10 6 4 4 2 5 24 21 100 21 8 5 6 12 12 4 11 6 3 1 1 4 10 9 13 3 4 2 1 25 8 3 2 1 1 2 2 2 2 2 3 2 3 3 3 2 2 4 2 2 2 2 3 6 3 4 9 36 69 4 4 8 6 6 7 4 2 4 7 7 2 2 3 3 18 19 3 4 2 6 24 6 3 7 10 14 14 10 4 3 20 8 17 10 4 3 4 3 2 3 5 6 4 6 10 11 9 9 9 7 7 5 4 2 3 6 14 25 28 40 3 7 3 4 5 2 2 2 3 3 3 5 5 2 3 2 3 58 58 18 16 2 3 7 42 21 4 2 2 2 2 2 10 14 16 4 2 1 2 2 1 1 2 2 2 1 2 2 2 1 2 1 4 1 2 2 1 1 2 2 1 1 2 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 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 3 2 3 2 2 4 4 3 2 3 4 2 3 10 25 4 28 77 27 5 5 2 3 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 1 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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; 1HNMR: 81 81 p 1H J 9 \| 75 74 d 1H J 43 \| 72 71 dt 1H J 9 121 \| 43 42 m 4H \| 34 33 t 2H J 9 \| 14 13 t 3H J 79 \| 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.
CCOC1=CC(=O)CC(CC(C)SC)C1	ir: 2 4 7 3 1 3 4 4 2 4 8 4 9 7 6 7 8 34 13 2 2 3 3 2 12 23 7 5 8 8 5 1 2 9 7 1 1 3 3 1 1 4 3 1 2 5 3 9 5 5 11 12 11 17 30 6 22 24 14 4 9 13 7 8 4 6 2 1 4 8 6 4 10 12 12 11 18 27 43 96 15 5 4 2 3 3 1 2 3 3 2 3 6 4 1 3 5 4 3 3 6 5 4 12 7 11 6 12 13 11 10 17 12 10 31 23 23 22 63 16 27 12 6 11 19 4 3 8 7 3 1 7 20 11 5 5 5 12 5 3 84 7 2 6 4 1 2 4 4 2 2 4 3 1 2 4 3 2 3 7 92 41 5 8 3 0 2 5 2 1 2 4 2 0 2 4 2 0 3 4 2 0 2 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4 2 0 2 3 2 1 2 3 2 1 2 3 2 1 3 3 1 1 3 3 2 1 2 3 1 1 3 3 1 1 3 3 2 1 4 3 2 2 4 5 3 3 4 8 6 7 5 14 14 12 17 10 18 18 31 16 26 100 39 72 19 10 9 3 3 3 4 3 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 55 55 p 1H J 9 \| 41 40 q 2H J 63 \| 29 28 ddddd 1H J 16 51 66 82 134 \| 27 27 ddd 1H J 9 64 156 \| 27 26 ddd 1H J 8 71 150 \| 25 23 dddd 2H J 9 69 152 286 \| 22 21 m 1H \| 20 20 d 3H J 14 \| 18 17 dt 1H J 70 128 \| 15 15 dt 1H J 70 130 \| 14 13 t 3H J 63 \| 13 12 d 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCNCCn1c2ccccc2c2c(N3CCCC3)nc(N3CCCC3)nc21	ir: 1 2 2 1 3 2 4 3 4 2 4 4 1 3 3 2 1 2 2 2 2 3 1 2 2 2 1 1 1 1 2 2 1 3 1 2 2 1 2 2 4 2 3 12 21 6 2 2 2 2 2 2 2 1 2 3 3 6 5 5 4 4 2 2 4 2 2 4 4 2 2 2 2 2 2 2 2 5 1 1 1 2 2 1 4 4 15 9 10 2 6 7 3 2 2 3 2 2 3 2 1 1 1 1 2 2 5 4 3 5 7 7 7 4 1 3 6 4 5 5 3 1 1 1 2 2 2 1 2 1 1 2 2 3 9 14 4 2 2 8 2 2 2 2 2 2 5 2 2 6 1 4 41 100 5 4 68 3 2 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 2 2 1 2 2 5 2 2 9 4 2 2 1 1 2 11 10 3 1 2 2 1 1 1 1 2 4 11 8 3 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 m 1H \| 76 75 m 2H \| 75 74 td 1H J 17 69 \| 44 44 tt 1H J 33 49 \| 44 44 t 2H J 37 \| 38 38 m 4H \| 38 37 m 4H \| 37 37 dt 2H J 44 56 \| 34 34 t 1H J 57 \| 31 30 q 2H J 35 \| 30 29 q 2H J 46 \| 20 20 qt 8H J 14 27	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]cnn2cccc12	ir: 1 2 12 5 1 1 2 1 1 2 3 1 1 2 4 1 1 1 2 2 8 2 1 1 1 1 2 2 1 2 2 2 1 2 2 1 1 2 2 3 19 81 22 2 3 12 20 8 3 3 8 15 5 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 3 2 1 3 9 2 1 1 1 1 1 1 1 1 1 1 3 2 1 2 3 5 10 4 1 2 3 1 1 1 1 1 1 1 2 1 1 1 2 1 2 2 2 4 5 2 8 10 2 2 3 1 1 18 0 2 3 1 1 7 14 2 2 3 2 1 2 7 4 1 2 3 3 2 7 10 4 17 13 3 22 100 4 3 6 9 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 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 1 2 2 2 4 11 12 65 39 2 5 3 2 3 2 1 2 2 1 3 3 2 2 2 2 4 12 4 25 21 5 2 3 3 3 2 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; 1HNMR: 77 77 d 1H J 68 \| 76 76 dd 1H J 17 58 \| 76 75 dd 1H J 16 55 \| 62 62 t 1H J 56	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCC#Cc1ccc(-n2cccn2)cc1	ir: 2 1 1 1 1 0 1 1 4 2 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 1 0 1 2 7 8 2 1 1 0 0 1 0 1 2 1 1 0 1 5 40 13 2 4 1 1 1 1 1 1 1 1 3 7 2 2 2 2 1 1 1 2 2 3 1 2 3 4 4 7 9 10 12 9 1 11 3 1 0 1 1 1 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 1 0 1 1 1 11 3 1 1 1 0 0 0 1 8 4 0 2 1 1 35 1 1 1 2 6 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 1 1 1 4 5 3 2 8 5 3 3 3 2 1 18 38 19 13 6 11 8 12 14 100 23 10 16 4 2 3 1 1 1 1 2 1 1 1 3 3 3 3 2 3 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 d 1H J 26 \| 77 77 d 1H J 19 \| 76 76 m 2H \| 76 75 m 2H \| 65 65 dd 1H J 18 26 \| 45 45 d 2H J 60 \| 26 26 t 1H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)N1CC(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)Oc2ccc(Cl)cc21	ir: 1 1 1 1 1 2 1 1 1 2 1 3 4 4 1 1 3 8 1 3 3 1 2 4 1 1 1 1 1 1 1 1 3 1 2 2 4 2 2 3 1 1 17 1 1 2 1 1 1 1 1 3 2 2 7 9 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 1 1 1 1 1 0 1 12 1 1 1 1 6 3 2 1 1 1 1 1 1 1 1 3 2 1 1 1 3 1 1 1 1 1 1 1 2 6 2 1 1 1 1 1 2 2 2 1 2 1 4 2 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 19 5 2 1 3 2 4 4 1 1 2 26 3 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 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 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 1 1 1 1 1 2 1 3 2 5 13 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 1 0 1 1 1 0 1 1 1 1 2 7 100 4 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 74 74 d 1H J 21 \| 72 71 m 3H \| 70 70 m 2H \| 69 69 d 1H J 88 \| 57 57 s 2H \| 52 52 t 1H J 43 \| 46 45 dd 1H J 44 126 \| 44 43 dd 1H J 44 126 \| 37 36 t 2H J 9 \| 35 33 m 4H \| 28 27 t 2H J 65 \| 27 26 t 2H J 68 \| 19 18 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(C1CC1)C1CC1c1cccc(O)c1	ir: 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 2 1 1 1 1 1 1 1 1 0 1 1 1 1 5 2 1 1 4 2 2 2 1 2 1 4 3 1 0 2 5 3 1 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 4 1 1 1 1 0 1 1 2 2 2 4 5 3 14 20 3 3 2 3 2 2 1 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 0 1 1 15 2 1 0 0 1 0 0 1 1 1 1 1 1 1 1 0 1 7 0 1 1 0 0 1 1 2 1 1 2 1 1 1 7 2 1 1 5 8 3 2 4 3 2 1 4 3 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 1 1 1 1 1 3 2 2 3 2 1 2 1 1 1 2 4 3 2 1 2 5 19 8 1 5 5 3 1 5 100 50 9 2 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 2 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 s 1H \| 72 71 t 1H J 82 \| 71 70 ddt 1H J 9 18 80 \| 67 67 ddd 1H J 12 21 82 \| 67 66 dt 1H J 11 22 \| 29 28 m 1H \| 25 25 dt 1H J 70 90 \| 22 22 p 1H J 59 \| 16 16 dt 1H J 70 81 \| 16 15 dt 1H J 68 79 \| 11 11 m 2H \| 9 8 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCCCN(Cc1cccc(Cl)c1)c1ccccn1	ir: 2 1 3 16 9 4 2 2 3 2 2 2 2 1 1 1 1 1 1 1 2 1 1 1 2 1 2 2 3 3 4 13 2 3 9 4 4 2 7 56 11 4 5 4 3 1 14 43 2 3 3 1 3 14 28 31 46 1 5 3 2 2 2 3 6 7 6 7 24 20 27 42 11 5 4 3 4 1 9 3 2 7 11 5 2 7 10 13 7 2 4 2 1 2 2 2 2 3 7 4 4 5 5 2 2 3 2 2 1 1 2 1 0 1 2 2 2 3 3 3 1 8 8 13 19 11 16 14 4 4 6 15 4 6 3 16 53 60 13 18 23 18 7 4 3 3 4 2 6 6 2 5 3 8 17 4 3 3 49 4 4 2 2 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 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 3 2 2 2 2 1 2 2 2 3 8 5 6 22 66 49 8 4 4 2 1 4 3 2 3 5 6 9 19 23 9 6 6 8 6 8 100 15 5 1 2 3 2 1 2 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 82 81 dd 1H J 17 45 \| 76 75 td 1H J 17 72 \| 74 73 ddd 1H J 13 20 79 \| 73 72 t 1H J 80 \| 73 72 m 2H \| 69 68 dd 1H J 13 70 \| 67 66 ddd 1H J 14 45 73 \| 44 44 t 2H J 8 \| 35 34 t 2H J 65 \| 29 28 tt 2H J 55 64 \| 23 22 t 2H J 65 \| 18 18 tt 2H J 55 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)Oc1ccc(CC(=O)O)cc1	ir: 3 4 6 5 6 6 12 11 8 17 11 12 32 6 27 26 13 18 18 29 100 47 74 26 19 7 3 4 9 3 1 2 2 1 4 3 9 3 1 3 4 2 2 7 6 4 5 4 3 3 4 21 7 2 5 14 14 17 9 15 2 0 1 2 1 0 1 3 3 3 7 21 39 30 7 11 5 15 27 16 13 6 6 5 5 13 45 51 52 62 18 5 5 3 1 3 4 8 2 13 11 19 20 14 3 2 2 1 0 1 2 2 0 2 3 3 2 3 11 6 12 9 7 4 2 4 5 4 3 5 2 3 1 1 2 1 1 2 2 2 4 11 12 13 7 13 6 18 25 8 4 7 4 7 2 2 1 2 1 0 1 2 2 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 3 6 5 4 2 2 2 3 24 24 24 36 38 32 29 17 4 2 3 4 3 10 24 25 14 10 1 1 1 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 0 1 1 0 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; 1HNMR: 72 72 dp 2H J 9 80 \| 71 70 m 2H \| 35 35 d 2H J 9 \| 32 31 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](C)NC(=O)c1nc(Cl)c2cc(OCc3ccccc3)ccc2c1O	ir: 2 7 2 2 1 4 3 3 2 4 5 4 1 1 3 1 0 4 6 1 0 1 2 1 2 7 14 4 0 6 5 2 10 17 71 24 5 7 25 13 17 6 1 8 20 100 42 8 3 4 11 1 2 2 2 1 16 25 4 6 2 1 1 1 1 2 5 6 13 8 13 2 8 3 1 3 1 4 1 1 1 1 10 5 1 1 1 1 3 5 1 1 4 5 2 2 1 3 2 1 1 1 2 6 6 7 19 6 11 16 10 4 3 2 1 4 18 36 13 12 12 5 9 10 5 5 7 7 5 2 1 1 1 2 8 26 12 3 11 42 1 12 34 20 15 6 11 93 11 24 3 4 4 1 1 1 3 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 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 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 2 1 1 1 1 1 1 1 2 4 5 5 3 7 9 5 14 83 9 70 40 15 10 2 2 2 2 1 1 1 1 1 1 2 1 1 2 8 11 5 5 24 7 16 7 3 1 1 1 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 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 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1; 1HNMR: 83 83 d 1H J 92 \| 78 77 d 1H J 83 \| 74 73 m 5H \| 73 73 m 1H \| 73 72 d 1H J 27 \| 68 68 dd 1H J 27 82 \| 51 50 t 2H J 9 \| 46 45 dq 1H J 62 93 \| 37 37 s 3H \| 14 14 d 3H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1ccc2ncnc(OC3CCOCC3)c2n1	ir: 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 2 1 1 1 1 1 1 1 2 1 2 1 4 4 4 13 10 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 6 1 1 1 4 2 9 2 0 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 3 1 1 1 1 1 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 5 6 2 1 2 1 1 1 1 1 1 1 2 1 1 5 3 1 0 2 100 2 3 0 0 1 1 1 1 1 1 1 4 3 1 1 1 1 1 2 19 1 1 1 1 6 1 0 1 2 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 1 2 4 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 85 s 1H \| 81 81 d 1H J 79 \| 74 74 d 1H J 81 \| 50 49 p 1H J 54 \| 38 37 ddd 2H J 37 63 112 \| 37 36 ddd 2H J 37 63 112 \| 23 22 dddd 2H J 37 55 64 141 \| 20 19 dddd 2H J 37 55 64 141	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)NC(=S)Nc1cc(Br)cc(Br)c1	ir: 1 0 0 0 1 0 0 1 1 1 3 3 1 2 1 1 1 0 0 1 1 1 2 2 1 1 1 2 2 1 6 4 9 12 11 52 9 4 2 1 1 1 1 1 1 2 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 3 2 1 2 12 34 7 5 3 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 4 6 5 12 1 1 1 1 0 0 1 1 0 1 1 1 1 5 7 3 2 1 1 1 1 1 1 1 2 1 3 2 3 5 7 3 1 2 1 2 1 1 9 2 0 1 1 0 0 1 1 0 0 8 63 4 4 7 26 2 3 1 1 3 1 1 1 1 2 11 2 1 45 6 4 3 1 0 1 1 0 0 0 1 0 0 1 1 1 0 1 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 2 2 4 10 7 3 22 11 2 6 7 4 1 2 2 1 0 2 1 1 1 2 1 1 1 1 1 3 5 20 56 100 19 9 2 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0; 1HNMR: 96 95 s 1H \| 78 78 d 2H J 22 \| 76 75 s 1H \| 75 74 t 1H J 21 \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C)c(O)c1C	ir: 3 3 2 1 1 1 1 1 3 1 1 3 2 2 0 1 3 2 1 3 4 3 2 5 2 1 1 14 2 1 1 3 1 2 2 2 3 2 4 3 1 1 1 1 1 0 1 1 1 1 4 46 30 25 24 3 2 1 2 2 3 2 3 3 2 5 2 5 3 6 10 7 4 3 1 3 2 1 10 11 10 3 2 3 2 22 100 74 24 13 3 2 1 1 1 1 1 3 1 4 0 1 3 2 1 1 1 1 0 0 1 1 2 6 5 1 0 1 2 1 1 1 2 2 1 3 3 3 3 2 2 2 3 9 8 7 1 2 1 0 0 3 11 33 7 1 1 3 4 2 1 1 2 4 1 1 1 0 1 8 11 4 1 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 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 3 3 4 7 11 28 18 18 2 4 3 1 12 39 38 27 1 1 1 0 0 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 69 68 dq 1H J 10 82 \| 67 67 s 1H \| 65 65 d 1H J 84 \| 38 38 s 3H \| 22 21 d 3H J 9 \| 21 21 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)/C=C/[C@@H](CF)NC(=O)OCc1ccccc1	ir: 17 10 12 22 13 20 8 10 8 4 6 2 4 5 6 3 3 2 2 2 3 2 2 4 3 8 7 22 100 31 28 34 24 9 13 6 4 0 12 19 8 10 2 3 1 2 2 1 1 2 1 1 1 1 1 3 3 4 2 1 1 2 3 3 12 12 21 3 22 11 4 0 3 2 1 1 3 6 8 2 3 8 31 20 5 5 2 1 29 58 4 4 1 3 2 3 3 3 14 10 14 9 6 6 1 5 9 3 3 6 13 6 6 8 16 22 21 5 10 6 9 9 11 6 3 4 8 9 6 5 4 9 12 25 15 33 16 9 7 1 0 10 32 97 57 30 23 14 17 79 10 13 12 1 2 3 3 1 1 2 1 2 5 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 5 4 2 4 7 10 6 11 25 33 55 60 59 16 21 11 6 3 4 6 1 3 3 2 1 1 2 1 2 2 3 1 2 2 4 7 19 30 11 6 5 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 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 m 5H \| 67 66 dddt 1H J 9 40 61 178 \| 62 61 dd 1H J 32 94 \| 59 58 dd 1H J 11 176 \| 51 51 s 2H \| 48 47 ddd 1H J 9 33 92 \| 47 46 ddd 1H J 9 33 93 \| 46 45 m 2H \| 44 44 ddd 1H J 9 33 93 \| 37 37 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CCNC(=O)C1CCCCC1N	ir: 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 4 6 5 4 2 1 1 1 1 1 1 0 1 1 0 1 1 1 2 1 1 1 1 13 4 1 1 1 15 5 1 1 1 1 1 5 2 7 1 1 1 6 1 3 2 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 2 0 0 1 1 1 2 2 1 2 4 2 2 1 2 3 2 1 3 2 1 1 1 3 2 6 8 7 2 1 1 1 0 0 1 2 1 3 6 7 6 4 3 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 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 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 2 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 1 7 7 10 2 1 2 6 5 90 100 4 7 5 4 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 t 1H J 35 \| 42 42 d 2H J 55 \| 41 40 m 2H \| 34 33 qt 1H J 43 55 \| 25 24 dt 1H J 52 60 \| 19 18 m 1H \| 18 17 m 1H \| 17 16 m 2H \| 16 15 m 1H \| 15 14 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(C)(C)CCCCCCCCCN1C(=O)c2ccccc2C1=O	ir: 4 5 10 3 3 2 2 2 1 3 4 5 9 4 6 5 5 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 3 3 6 12 46 41 9 7 4 2 3 4 2 2 2 2 1 2 3 1 1 2 2 2 1 6 3 4 3 3 5 3 2 3 2 3 1 2 1 1 1 3 1 1 1 2 2 2 4 4 10 3 3 3 2 1 1 2 1 1 1 2 2 1 1 2 2 2 1 2 2 2 5 13 6 8 4 13 9 10 4 5 4 13 21 20 43 15 6 3 4 6 9 5 6 7 9 100 7 1 4 3 8 18 4 1 2 3 4 8 28 6 3 2 2 2 2 4 10 92 8 22 2 2 27 4 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 2 3 5 3 2 2 3 1 2 2 6 9 12 14 8 42 23 3 2 2 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 dd 2H J 31 51 \| 77 77 dd 2H J 31 51 \| 37 36 t 2H J 59 \| 37 36 s 3H \| 17 16 m 4H \| 15 14 dq 2H J 71 82 \| 13 12 m 10H \| 12 12 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CN2CC3C(C2)C3c2ccc(OC)cc2)cc1	ir: 1 2 2 1 1 1 2 2 2 3 8 8 3 5 7 3 4 3 5 8 1 4 2 1 1 4 2 1 1 1 1 2 1 1 2 4 5 13 11 4 4 4 3 3 2 1 4 9 5 5 6 5 29 14 38 88 56 12 10 4 13 13 18 23 8 4 4 2 16 15 3 2 3 1 2 3 2 5 30 0 3 4 4 6 5 6 11 24 63 46 9 8 3 5 9 5 6 11 8 1 2 5 1 2 4 2 3 2 1 1 1 1 1 1 1 1 4 4 7 5 9 5 2 6 6 7 6 4 2 2 9 5 2 2 2 7 4 1 3 3 2 1 2 2 6 4 23 20 17 18 6 15 24 7 4 2 2 1 3 1 1 3 2 2 4 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 5 5 13 13 36 88 100 74 27 10 6 2 2 2 1 3 2 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 72 72 dt 2H J 9 86 \| 70 70 m 2H \| 69 68 m 4H \| 38 38 s 6H \| 37 36 m 2H \| 32 31 m 3H \| 27 27 dt 2H J 11 108 \| 23 22 dp 2H J 10 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

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