Datasets:

DeerEyeRain
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sel_dataset

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train · 715k rows

Output stringlengths 5 127	Input stringlengths 850 1.64k	Instruction stringclasses 1 value
COC(=O)c1cc(Br)c(=O)n(Cc2ccc(OC)cc2)c1CBr	ir: 9 12 12 1 0 2 3 4 4 10 5 16 6 15 12 5 1 2 5 4 1 1 2 3 0 2 2 2 8 11 2 6 5 4 3 5 8 10 2 0 1 2 3 1 1 4 6 18 4 100 4 6 21 4 5 5 7 3 2 3 8 3 4 4 3 7 2 1 1 11 2 2 4 5 9 3 4 1 1 1 1 1 1 1 1 1 3 9 27 18 4 5 3 2 1 2 4 4 10 6 2 2 1 1 1 2 16 6 3 3 4 10 4 2 1 2 7 22 4 3 1 3 4 9 8 10 10 5 5 2 2 4 11 5 3 1 2 2 6 3 2 1 1 3 2 2 11 63 28 24 18 5 14 29 12 5 3 2 1 1 1 3 8 19 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 0 0 1 1 1 1 1 1 1 1 1 0 1 0 1 1 1 1 0 0 1 0 0 0 0 0 0 0 1 1 0 1 0 0 1 0 1 1 1 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 3 2 1 2 3 0 15 13 14 60 21 16 6 6 3 1 2 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 t 1H J 10 \| 73 72 dp 2H J 9 83 \| 68 68 m 2H \| 51 51 d 2H J 9 \| 44 44 d 2H J 11 \| 38 38 d 6H J 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCN(c2cnc3[nH]c4cnc(-c5cccnc5)cc4c3c2)CC1	ir: 3 5 8 8 22 23 11 18 15 10 26 7 2 6 5 2 11 4 6 6 3 8 28 6 2 21 8 6 5 5 9 24 6 46 9 9 18 38 59 14 9 3 2 1 1 2 2 1 1 2 4 5 3 6 15 9 3 6 3 2 2 3 13 32 14 12 5 5 13 3 1 1 1 8 2 3 21 9 10 6 2 7 1 1 1 1 2 10 10 26 5 9 13 3 5 6 32 20 26 15 3 9 4 8 5 2 2 3 4 6 6 5 6 10 5 23 6 9 17 20 19 11 17 18 2 4 4 11 10 8 7 12 13 6 1 3 7 24 7 10 19 6 2 3 3 5 35 5 4 15 39 100 49 12 32 8 5 13 2 10 4 4 8 6 13 3 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 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 0 1 1 1 0 1 2 2 1 2 2 3 1 2 1 2 2 2 4 6 18 29 12 11 40 27 10 7 1 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 2 3 6 12 33 30 6 6 4 1 1 1 1 1 1 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 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 93 92 m 2H \| 87 86 dd 1H J 17 48 \| 84 83 dt 1H J 18 84 \| 83 83 s 1H \| 80 80 d 1H J 18 \| 75 75 d 1H J 17 \| 74 73 dd 1H J 48 85 \| 36 35 m 5H \| 34 33 m 5H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC1CCC(C(O)C(F)C(=O)OCC)CC1	ir: 8 7 1 4 3 2 5 5 4 9 11 2 5 4 4 1 4 3 7 18 6 4 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 3 2 2 3 1 1 2 5 3 2 1 0 1 2 3 2 2 2 1 0 2 5 2 1 2 4 2 2 2 2 2 9 5 2 5 8 23 15 14 4 15 4 3 1 2 3 3 4 5 6 18 100 79 40 12 5 7 4 2 1 5 8 8 5 2 5 6 4 7 9 7 7 6 6 5 9 11 10 6 15 8 6 3 2 5 5 1 2 2 5 4 2 2 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 14 2 1 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 0 1 1 0 0 1 1 1 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 4 2 2 4 3 3 9 5 5 6 7 11 7 12 19 5 3 1 1 1 1 0 1 3 3 45 5 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 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 44 44 dd 1H J 36 63 \| 43 42 m 2H \| 42 41 dtd 1H J 63 84 147 \| 20 19 dpd 1H J 37 59 80 \| 17 16 m 2H \| 15 14 ddt 2H J 61 88 126 \| 14 13 m 3H \| 14 12 m 10H \| 9 9 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CCN1C(=O)COc2ccc(N)cc21	ir: 10 9 21 13 8 7 4 8 10 2 3 3 3 3 2 2 4 4 12 6 9 3 1 2 3 2 1 4 2 4 2 4 3 2 2 3 4 2 2 4 2 1 1 2 2 1 2 3 2 1 4 2 4 9 3 4 4 7 8 4 2 1 2 2 2 2 20 17 3 2 4 4 2 1 7 2 1 1 2 3 23 3 2 2 1 1 2 2 4 8 4 2 2 2 2 2 1 1 2 2 1 2 2 2 2 2 6 3 4 2 3 3 2 2 3 2 1 3 4 3 4 5 5 2 1 8 4 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 3 6 1 36 0 3 7 7 4 34 11 41 69 2 4 2 1 1 7 42 12 2 0 2 2 2 1 1 2 1 1 1 2 1 7 2 2 1 1 2 2 1 1 1 2 1 1 2 2 2 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 2 2 2 3 2 2 2 3 3 2 2 4 5 5 8 19 18 11 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 9 21 5 2 2 2 2 1 1 2 2 3 43 100 7 4 2 2 1 2 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 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; 1HNMR: 67 66 m 2H \| 66 65 d 1H J 20 \| 48 47 s 2H \| 46 46 s 2H \| 46 45 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(C2(O)CCOC2)n2cccc(Cl)c12	ir: 1 3 3 1 5 4 2 1 3 3 1 1 2 1 0 1 1 2 0 1 1 1 1 1 2 3 1 1 1 0 0 1 1 1 0 1 1 0 1 4 3 0 1 1 1 0 1 3 10 4 8 2 2 1 1 1 1 0 1 1 1 1 1 1 2 3 2 1 2 1 1 1 1 1 11 2 3 1 5 3 1 1 1 1 1 4 2 4 2 1 1 1 1 2 2 5 15 7 2 1 1 1 2 6 5 1 1 1 0 2 6 2 0 0 1 4 2 1 3 2 1 3 4 1 1 3 1 1 3 1 1 2 2 1 1 0 0 1 2 4 9 2 2 0 1 1 2 9 3 2 8 2 1 1 2 0 0 1 3 1 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 1 1 0 0 1 0 1 1 1 2 1 1 1 1 1 1 1 6 1 1 8 2 26 2 1 6 13 12 100 13 1 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 dd 1H J 14 65 \| 76 75 dd 1H J 14 72 \| 73 73 dd 1H J 64 73 \| 67 67 s 1H \| 45 44 dd 1H J 7 111 \| 44 43 s 1H \| 41 41 m 1H \| 39 38 m 1H \| 39 39 s 3H \| 38 37 ddd 1H J 28 46 112 \| 27 26 ddd 1H J 27 46 138 \| 24 24 ddd 1H J 27 45 137	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(n2ncc(COc3ccc(C(N)=O)cc3F)c2C#N)CC1	ir: 0 2 1 2 2 2 1 2 2 2 7 6 9 4 2 3 1 3 2 3 3 3 1 1 0 1 1 1 1 1 1 3 1 4 5 1 1 1 38 21 4 2 1 2 2 0 0 0 1 0 1 0 1 1 2 1 2 1 2 1 1 1 1 1 1 8 7 4 4 4 1 1 1 2 4 2 1 1 1 1 1 1 2 0 0 1 0 0 1 1 1 0 1 1 1 2 3 2 1 1 0 1 1 2 1 1 1 1 0 2 4 1 2 1 2 4 7 3 2 2 2 4 6 4 1 4 4 2 3 1 1 3 1 2 1 2 2 1 1 1 1 14 19 1 5 1 1 1 1 0 9 57 0 2 6 5 1 2 7 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 0 0 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 9 6 4 5 11 3 1 2 1 1 1 0 0 0 1 0 1 1 1 0 0 32 36 2 1 0 1 2 1 0 1 1 1 3 14 100 5 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 dd 1H J 21 121 \| 76 76 dd 1H J 22 99 \| 76 75 d 1H J 9 \| 74 74 s 2H \| 70 69 dd 1H J 47 98 \| 52 52 d 2H J 9 \| 46 45 p 1H J 26 \| 39 38 ddd 2H J 55 81 117 \| 37 36 ddd 2H J 54 82 117 \| 22 21 dddd 2H J 25 54 81 136 \| 20 19 dddd 2H J 24 53 80 134 \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC/C(=C\c1ccc(OC2(C(=O)O)CCC2)c(Cl)c1Cl)[N+](=O)[O-]	ir: 3 2 1 2 7 3 6 13 4 13 3 16 37 21 19 7 20 6 15 12 9 21 20 44 84 100 71 39 40 17 35 19 7 9 1 3 3 4 5 2 3 7 7 5 3 3 2 5 2 3 3 4 10 9 21 33 46 14 10 2 19 7 18 12 3 9 6 3 4 3 9 25 33 16 12 16 20 72 98 50 24 8 5 3 3 3 3 2 2 3 12 7 6 7 5 7 3 9 8 15 13 28 15 19 8 6 8 6 3 9 11 12 17 8 8 6 20 13 15 12 5 4 8 4 19 14 22 2 4 2 6 2 6 7 7 5 5 11 27 11 3 5 6 21 53 37 11 5 4 4 5 4 4 3 9 13 6 5 11 13 2 3 2 2 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 1 1 2 1 1 0 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 3 3 1 3 5 5 8 11 10 5 5 4 4 16 26 27 74 44 31 28 4 4 5 7 10 9 30 84 67 5 4 4 2 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 t 1H J 15 \| 75 74 d 1H J 80 \| 71 70 d 1H J 81 \| 27 27 td 2H J 15 67 \| 24 24 dt 2H J 77 129 \| 22 21 dt 2H J 78 130 \| 19 17 pd 2H J 19 77 \| 17 16 dtd 2H J 67 77 142 \| 11 10 t 3H J 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCCCCC(C)C	ir: 1 1 1 1 1 1 1 1 0 1 1 1 1 2 1 2 1 1 1 2 1 2 3 1 2 2 2 7 10 10 4 3 3 4 2 2 3 7 7 4 2 3 2 2 1 1 1 1 1 0 0 1 1 1 1 1 1 2 6 4 2 2 4 12 3 7 6 6 7 4 6 8 17 15 14 8 4 9 6 2 3 3 2 2 2 1 1 1 2 7 22 8 2 2 1 1 1 1 1 1 1 1 1 6 5 9 32 17 21 15 26 12 4 3 1 3 6 5 34 19 30 6 8 7 2 3 4 2 2 3 4 11 4 1 3 12 13 16 25 9 8 6 4 1 1 1 1 0 1 0 1 1 1 0 0 1 1 1 1 1 3 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 2 4 3 3 3 7 7 5 5 6 6 16 12 17 14 100 9 35 20 8 9 9 12 9 2 10 19 16 1 2 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 59 57 m 1H \| 51 51 m 1H \| 50 49 ddt 1H J 13 24 172 \| 21 20 tdt 2H J 14 67 78 \| 14 11 m 7H \| 9 8 d 6H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCC(O)Cc1cccc(OCC2CCCCC2)c1	ir: 10 15 10 12 2 5 6 3 7 9 10 9 4 2 4 4 1 2 4 2 2 5 5 3 4 9 5 6 9 32 29 23 16 9 9 4 2 7 6 2 1 3 4 5 11 8 4 10 15 2 2 2 3 5 4 5 3 3 2 1 2 3 3 0 1 2 5 5 9 4 4 4 7 4 2 3 3 3 4 3 4 3 2 1 3 4 6 22 22 40 30 8 5 3 2 6 2 5 9 6 3 2 1 3 5 4 9 6 6 3 6 8 6 4 2 5 3 5 2 23 15 11 26 22 7 2 4 4 5 11 7 4 3 2 2 1 1 1 1 1 6 11 11 22 29 20 6 16 37 100 97 8 4 2 14 9 5 2 3 1 8 13 2 1 1 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 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 4 4 4 5 4 3 5 4 6 7 7 17 24 17 16 15 5 2 1 1 5 17 56 8 5 1 2 1 1 1 1 1 1 1 3 4 4 26 29 66 32 9 8 0 0 1 1 0 1 1 1 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 72 t 1H J 81 \| 71 71 ddq 1H J 9 20 81 \| 69 68 ddd 1H J 12 21 80 \| 67 67 tt 1H J 9 19 \| 56 55 t 1H J 65 \| 42 41 tdt 1H J 48 55 68 \| 40 39 d 2H J 51 \| 37 37 d 1H J 55 \| 35 34 ddd 1H J 48 64 134 \| 32 31 ddd 1H J 48 64 134 \| 30 29 ddt 1H J 9 70 143 \| 27 27 ddt 1H J 9 70 143 \| 20 18 pt 1H J 51 65 \| 17 15 m 4H \| 15 13 m 6H \| 14 14 s 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2ncc(Cl)c(CC=O)c2c1	ir: 1 2 3 3 4 12 18 6 9 4 4 5 5 3 2 2 3 4 4 9 12 17 19 5 2 7 3 1 1 2 2 2 3 2 2 1 1 2 3 4 2 2 1 0 1 2 2 1 1 3 2 0 4 13 19 78 100 22 15 17 9 4 4 5 8 5 16 28 35 27 7 14 13 5 4 2 3 2 5 5 1 2 1 2 2 8 7 1 3 2 1 2 10 38 44 4 4 4 34 9 6 3 3 15 5 7 7 4 3 2 2 5 7 17 4 3 3 2 6 4 3 3 2 2 3 6 5 3 2 3 1 3 2 4 2 1 2 1 1 2 2 1 4 3 2 3 3 6 16 20 93 56 16 12 8 29 70 31 12 5 4 1 2 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 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 1 2 2 2 2 6 5 7 1 4 6 5 13 10 11 14 15 70 33 14 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; 1HNMR: 98 98 t 1H J 61 \| 84 84 s 1H \| 79 79 dd 1H J 9 81 \| 73 72 m 2H \| 41 40 d 2H J 62 \| 39 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(OC[C@@H]2C[C@H](Oc3ccc4ccccc4c3)CN2C(=O)OC(C)(C)C)cc1	ir: 14 4 11 12 10 7 9 5 3 10 25 52 20 18 7 10 5 5 2 4 3 1 2 1 4 2 1 2 2 1 2 1 4 10 7 2 7 1 2 5 4 4 62 6 2 3 2 2 2 3 1 2 3 12 100 32 51 3 5 6 4 9 7 3 2 3 6 6 25 14 2 2 4 2 3 7 4 2 3 3 1 1 1 2 2 1 2 3 6 4 1 3 1 4 3 4 6 8 5 3 3 4 3 5 19 5 8 4 4 5 3 9 1 6 8 50 7 8 4 7 7 7 7 7 5 10 11 8 6 5 6 7 17 8 4 9 1 2 2 1 2 3 6 17 10 4 4 3 10 26 38 22 8 2 7 4 22 8 1 2 2 0 2 4 1 1 1 0 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 2 2 3 4 2 1 4 5 5 10 18 9 25 51 55 13 6 8 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 78 m 3H \| 77 77 m 1H \| 76 76 m 1H \| 75 74 dddd 2H J 15 70 81 254 \| 72 71 m 1H \| 70 69 m 3H \| 51 51 dtt 1H J 17 36 55 \| 44 43 dd 1H J 56 109 \| 42 41 m 2H \| 40 39 dt 1H J 18 118 \| 39 39 s 3H \| 38 37 dd 1H J 37 118 \| 24 23 m 1H \| 22 21 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.
CC(C)Oc1cc(OC(C)C)c(C(N)=O)c(N)n1	ir: 1 1 2 1 1 2 1 2 2 1 2 5 2 3 1 5 2 1 7 3 2 4 5 5 4 3 1 1 1 1 1 1 1 3 2 1 1 1 1 1 1 1 1 1 5 10 8 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 6 8 3 1 1 1 1 1 1 2 4 1 2 1 1 1 2 2 4 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 2 2 1 1 1 1 1 1 1 1 3 2 1 1 1 1 1 1 1 1 1 1 1 2 25 9 2 2 6 2 2 4 22 4 4 20 5 100 1 1 2 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 0 0 1 0 1 1 1 1 1 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 1 1 5 6 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 2 42 2 1 1 1 1 1 0 1 1 2 1 6 37 15 1 1 1 1 1 1 1 1 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 73 73 s 2H \| 72 72 s 2H \| 58 58 s 1H \| 51 50 p 1H J 62 \| 47 46 p 1H J 56 \| 14 13 dd 13H J 59 101	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)[C@@H](O)CCN1C(=O)CCC1=O	ir: 16 40 14 11 9 11 12 12 8 7 15 7 32 20 23 20 31 14 38 80 73 100 66 76 44 15 22 42 25 23 8 8 9 14 5 6 11 6 8 9 5 6 5 4 5 4 4 9 7 11 24 34 26 11 12 11 6 5 5 3 5 11 6 3 6 5 5 7 7 4 6 9 10 11 10 11 16 37 32 75 21 26 19 13 15 13 17 13 63 50 60 29 26 42 45 54 3 16 14 9 3 4 6 5 3 6 8 9 5 8 7 8 8 9 21 9 17 11 24 33 49 29 20 8 12 8 6 7 6 12 9 5 4 4 4 11 7 10 6 8 13 9 11 64 51 3 70 15 5 3 4 20 47 26 9 0 2 7 4 1 3 5 4 2 3 5 3 1 3 4 3 1 3 4 3 2 3 4 3 2 3 4 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 3 3 4 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 5 4 3 3 5 4 5 4 4 5 4 7 16 9 6 5 9 9 12 6 8 41 5 6 6 5 4 5 7 17 37 53 34 42 35 19 6 5 6 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 5 4 3 4 5 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2; 1HNMR: 86 85 s 1H \| 49 49 d 1H J 59 \| 42 41 q 1H J 63 \| 40 39 dt 1H J 99 126 \| 39 38 dt 1H J 100 128 \| 26 26 s 3H \| 23 22 dtd 1H J 64 99 136 \| 21 20 dtd 1H J 64 99 136	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(cc1OC)-c1c(O)c(OC)cc3c1C(C2)NCC3	ir: 1 2 4 3 3 8 3 12 6 18 27 56 18 22 14 9 10 8 1 5 2 3 3 6 3 2 4 3 3 2 3 2 3 3 7 8 2 1 1 1 2 1 1 1 3 3 10 4 15 23 14 4 9 13 4 3 2 2 10 4 5 1 5 2 10 12 10 25 16 27 39 16 20 9 7 9 18 10 4 0 3 3 1 2 5 3 4 8 21 8 1 1 5 7 13 18 34 4 2 2 1 2 4 14 3 11 8 2 1 3 10 14 8 4 1 10 8 63 7 2 2 3 10 1 3 8 9 2 2 2 3 5 4 1 1 14 3 2 3 3 1 1 1 2 2 0 3 2 1 0 1 2 3 2 2 3 12 11 2 2 1 0 4 1 1 0 0 1 1 1 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 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 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 2 2 1 17 5 6 29 11 6 4 0 3 6 4 100 83 2 4 3 2 2 2 1 6 6 23 29 43 2 1 1 1 1 1 1 0 1 0 1 1 0 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 79 79 s 1H \| 69 69 s 1H \| 69 68 t 1H J 9 \| 66 65 t 1H J 9 \| 39 39 s 2H \| 39 39 m 1H \| 39 38 d 7H J 46 \| 36 35 dddd 1H J 27 37 55 134 \| 33 33 dddd 1H J 9 29 57 145 \| 32 31 ddd 1H J 8 50 145 \| 31 29 m 2H \| 29 28 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1nc2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ir: 5 2 4 5 5 10 1 22 9 5 4 5 7 5 10 10 2 4 3 12 6 9 11 10 7 6 5 8 7 6 8 7 19 14 6 10 17 15 7 7 3 5 3 3 2 1 1 2 2 6 3 12 2 3 3 3 1 1 4 4 2 4 1 3 1 1 3 12 16 7 11 6 1 2 3 2 2 2 3 3 2 2 15 2 5 6 5 32 21 30 49 19 16 22 17 55 28 13 5 3 11 3 2 5 3 7 7 4 1 4 3 4 0 3 5 4 2 4 2 3 2 2 2 14 3 2 3 1 1 1 1 1 1 1 1 2 7 2 2 27 0 1 1 0 0 1 1 0 1 2 2 1 3 14 1 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 2 2 2 2 3 3 4 7 5 10 4 9 2 4 40 8 16 16 100 24 14 4 61 46 10 4 3 3 1 2 2 2 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 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 0 0; 1HNMR: 80 80 s 1H \| 78 78 s 1H \| 61 60 dt 1H J 8 52 \| 54 53 t 1H J 45 \| 52 52 d 1H J 46 \| 47 47 qd 1H J 20 53 \| 44 43 d 1H J 53 \| 42 42 dddd 1H J 7 39 46 55 \| 41 40 tddd 1H J 9 20 29 37 \| 39 38 ddd 1H J 36 45 123 \| 37 36 ddd 1H J 35 44 121 \| 26 26 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(-c2c(F)cc(Cl)c(=O)n2C)nn(C)c1C#N	ir: 2 2 3 3 7 4 5 4 12 11 3 6 12 6 7 5 9 5 9 4 2 4 2 2 3 4 4 3 5 4 4 4 6 5 6 2 4 5 3 4 3 4 3 2 7 5 14 12 2 5 13 6 2 3 2 2 2 2 2 1 2 2 2 1 2 3 3 2 4 4 6 6 11 16 18 7 2 3 3 2 2 3 2 2 2 2 2 2 3 2 2 2 3 2 4 6 9 3 2 2 3 2 4 6 3 5 8 7 5 2 2 2 2 2 2 5 4 8 7 4 2 3 3 3 3 7 3 8 6 14 41 34 53 8 6 6 9 3 2 2 15 10 4 4 6 11 100 44 25 4 3 4 3 2 2 2 4 2 2 8 4 4 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 3 2 10 5 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 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 2 2 2 2 1 2 2 2 2 2 2 2 3 4 3 3 3 2 2 1 2 2 2 2 3 4 5 9 6 15 8 6 12 14 14 13 3 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 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 2 1 2 2 2 1 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; 1HNMR: 71 71 s 0H \| 71 71 s 0H \| 40 39 s 3H \| 39 38 s 3H \| 23 23 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)c(CNC(=O)c2ccc(CNc3ccccc3)cc2)c(O)n1	ir: 4 5 8 10 12 20 15 12 8 9 4 25 8 13 8 10 13 10 6 6 26 28 21 13 4 6 2 3 8 14 9 42 11 4 3 20 13 9 17 26 19 49 18 15 6 3 12 6 3 4 4 3 7 5 4 18 17 12 20 5 3 4 3 7 5 3 2 7 6 7 34 19 11 11 7 12 31 9 7 10 3 4 2 1 1 2 1 1 3 3 6 3 4 5 2 1 1 3 5 6 7 6 3 6 10 12 48 11 2 2 2 3 5 6 2 3 5 7 8 14 15 10 2 13 5 7 3 6 2 3 7 2 4 7 36 8 3 3 2 6 17 12 15 55 30 29 19 38 11 27 29 10 4 20 10 4 4 0 16 25 5 13 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 3 2 1 2 1 1 2 2 2 3 2 3 3 5 4 12 22 24 100 20 3 6 8 3 2 2 3 5 67 71 6 5 2 2 2 4 5 7 7 8 7 23 51 100 40 16 5 2 2 3 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 m 3H \| 75 74 dq 2H J 9 83 \| 72 71 m 2H \| 68 68 tt 1H J 12 70 \| 67 67 m 2H \| 64 63 m 1H \| 48 48 t 1H J 54 \| 47 47 d 2H J 70 \| 44 43 dt 2H J 9 54 \| 24 24 s 3H \| 23 22 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Brc1ccc2c(c1)C1(CCCCO1)c1cc(Br)ccc1-2	ir: 2 1 1 4 10 3 2 1 3 2 1 1 1 1 1 1 1 1 2 3 1 1 1 1 1 1 1 1 1 2 1 1 0 3 4 4 1 1 8 3 3 1 2 1 1 2 1 2 2 3 7 7 24 52 16 3 1 5 4 3 2 2 2 5 1 1 3 17 17 7 5 3 2 10 1 1 1 2 1 1 0 2 4 24 21 8 3 1 2 2 1 1 2 2 1 2 1 4 1 1 2 5 3 1 1 1 2 6 3 3 7 7 25 3 8 3 8 7 1 4 4 25 4 5 6 2 1 2 3 3 3 1 2 1 1 2 1 2 43 6 6 9 1 1 1 1 1 0 1 5 28 2 8 1 1 1 1 1 16 3 1 2 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 2 4 2 3 3 2 2 4 3 14 13 16 63 100 38 9 5 6 2 1 2 1 2 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 79 78 d 2H J 80 \| 76 76 dd 2H J 21 81 \| 75 75 d 2H J 21 \| 38 37 dd 2H J 37 48 \| 24 23 m 2H \| 18 17 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3cccn3-c3ccccc32)cc1	ir: 2 2 1 2 3 1 1 4 1 1 2 3 4 6 5 3 2 1 1 1 2 2 2 2 3 1 2 2 2 2 3 7 8 2 5 7 6 8 19 15 16 17 39 34 15 7 4 5 5 5 3 3 2 3 4 5 10 15 4 1 2 3 1 1 1 1 1 1 2 6 5 2 2 2 6 4 2 9 2 4 1 1 2 2 1 2 12 2 1 2 5 4 2 2 3 1 1 1 1 2 1 2 4 20 7 2 2 4 3 2 1 1 1 1 1 2 3 4 3 2 1 2 3 1 3 4 7 6 1 2 2 1 4 13 3 2 17 7 30 5 6 29 10 5 6 12 8 11 3 18 9 15 17 15 8 6 2 1 1 3 1 5 2 10 2 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 0 1 3 2 4 4 8 6 100 14 8 13 28 3 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 2 2 7 24 10 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; 1HNMR: 89 88 s 1H \| 79 78 m 2H \| 77 76 dd 1H J 16 80 \| 77 76 m 2H \| 75 75 dd 1H J 17 65 \| 74 72 m 6H \| 70 70 dd 1H J 17 49 \| 65 65 ddt 1H J 9 17 64 \| 63 63 dd 1H J 49 65 \| 41 40 t 2H J 60 \| 29 28 td 2H J 9 60 \| 24 24 d 3H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc2c(-c3ccc(Cl)cc3)ccc(OC)c2n1	ir: 1 3 5 2 9 19 3 7 4 1 2 3 12 5 4 4 1 1 5 3 2 1 0 1 1 0 0 1 2 3 6 2 2 1 2 1 1 1 5 1 1 1 0 1 1 1 1 1 1 1 2 49 13 7 22 15 5 21 2 2 2 3 2 1 1 1 2 1 10 1 1 1 2 2 3 5 1 2 2 3 1 4 5 1 1 3 17 9 3 2 2 1 1 1 2 7 1 1 1 1 1 1 1 1 1 2 28 3 1 1 10 2 1 2 2 14 12 3 1 4 4 4 1 1 1 1 1 1 2 1 1 1 1 1 0 1 35 1 0 1 2 0 1 8 53 22 30 2 9 4 6 17 1 1 1 1 10 2 1 0 0 1 4 0 2 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 2 1 2 2 6 6 37 100 46 11 3 3 1 1 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 d 1H J 82 \| 81 81 d 1H J 81 \| 76 75 m 3H \| 74 73 m 2H \| 72 71 d 1H J 95 \| 40 40 s 3H \| 39 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(c(Cl)c1Cl)C(=O)C(C)(C(C)C)C2	ir: 5 4 1 3 5 3 1 3 7 5 0 6 15 6 2 4 12 7 13 16 6 9 2 5 5 4 7 6 4 3 3 18 12 6 5 5 6 3 4 12 29 7 4 6 3 1 3 7 7 3 3 4 5 1 12 7 3 2 3 7 5 0 6 7 11 3 16 100 32 26 18 11 6 9 8 8 6 4 5 4 2 2 4 4 8 11 4 3 2 10 4 4 3 9 21 21 11 24 7 10 6 18 18 15 6 5 5 4 5 10 6 4 2 3 5 4 6 7 6 9 7 6 8 16 2 8 10 12 1 5 16 18 6 14 9 3 2 3 3 2 2 4 6 12 3 14 11 2 2 4 4 8 83 4 4 2 3 5 7 78 6 4 3 3 2 3 3 1 2 4 2 1 3 3 2 1 3 4 2 1 2 3 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 4 3 1 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 2 2 3 4 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 4 2 2 3 3 2 2 4 3 4 6 6 5 2 4 6 13 12 7 8 18 8 10 32 33 36 29 41 21 13 5 5 2 1 3 4 3 1 3 4 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 67 66 d 1H J 9 \| 39 39 s 2H \| 30 29 dd 1H J 9 136 \| 27 27 dd 1H J 9 136 \| 21 20 dtdd 1H J 15 56 72 87 \| 12 12 d 3H J 14 \| 10 9 dd 6H J 71 216	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nccc2c(C(=O)Nc3cccc(C(=O)Nc4cccc(C(F)(F)F)c4)c3)cccc12	ir: 1 2 4 1 3 4 8 3 2 4 3 3 2 6 3 3 6 4 4 4 5 4 5 7 4 8 6 4 2 6 14 10 14 12 8 5 5 4 8 34 37 20 9 6 20 18 15 26 18 4 3 1 7 2 6 4 6 5 4 2 2 2 2 1 3 2 9 14 16 7 2 1 2 4 7 4 3 2 2 1 2 3 2 1 3 2 1 1 2 4 3 1 4 40 6 3 3 8 15 16 8 2 1 14 6 4 1 1 2 2 1 1 4 11 5 4 3 1 1 1 2 1 1 2 4 4 4 5 4 5 8 4 3 2 2 10 7 4 18 8 14 5 15 34 34 38 27 33 70 12 5 5 38 12 8 5 5 12 2 8 11 10 18 3 3 3 15 3 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 3 9 16 25 31 10 4 5 4 3 2 2 2 1 3 2 3 3 3 5 4 7 24 3 3 9 12 32 31 9 4 8 11 27 100 16 7 4 0 1 3 2 0 1 2 1 1 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 89 89 s 1H \| 83 83 d 1H J 48 \| 83 82 m 1H \| 81 81 m 2H \| 81 80 t 1H J 22 \| 80 79 m 2H \| 78 78 ddd 1H J 11 21 81 \| 77 76 ddd 1H J 13 22 79 \| 75 74 m 4H \| 75 75 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)n1cc(Br)c2ccc(-c3ccc(F)cc3)cc21	ir: 1 3 7 5 6 2 0 2 2 5 6 3 1 1 3 6 13 1 1 1 1 1 1 1 4 8 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 3 11 57 14 8 7 2 1 1 3 5 20 8 7 1 4 21 1 1 2 5 8 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 1 1 1 4 1 2 6 4 1 1 1 2 2 1 1 1 1 1 4 7 1 1 1 5 24 2 3 5 6 1 7 1 2 8 2 2 3 10 4 3 8 4 1 2 1 1 1 1 1 1 2 3 73 3 1 23 2 3 2 80 13 15 4 4 3 1 1 1 3 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 3 6 18 5 22 100 27 10 13 6 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 82 d 1H J 77 \| 81 81 s 1H \| 81 80 d 1H J 22 \| 78 78 dd 1H J 21 78 \| 77 76 m 2H \| 72 71 m 2H \| 16 16 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)OCCc1cccc(Nc2ncc3c(n2)-c2ccccc2[C@H](c2ccccc2F)C3)c1	ir: 4 6 7 1 9 10 0 2 2 2 2 4 10 4 2 2 1 1 2 2 3 11 5 1 3 5 4 4 3 5 5 16 4 13 3 1 2 8 3 8 2 6 23 6 1 3 8 30 4 5 5 5 3 4 10 100 10 9 7 3 2 4 10 4 3 1 5 4 6 4 26 3 6 5 82 9 7 4 1 2 4 4 6 4 2 5 5 13 41 9 19 9 6 2 3 3 3 7 2 8 12 15 8 5 6 8 2 2 3 1 1 1 2 1 1 1 1 1 1 3 5 3 4 3 2 2 1 3 6 2 2 2 3 1 1 2 9 8 1 2 4 5 7 3 3 1 4 17 24 59 4 4 8 13 3 3 8 5 16 23 4 1 5 49 19 5 1 1 1 1 1 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 2 0 1 1 1 1 1 2 1 1 1 1 2 14 10 12 12 39 26 5 4 1 1 1 1 1 2 1 1 1 1 1 0 0 3 1 0 1 1 3 5 3 45 84 11 3 0 1 2 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 s 1H \| 85 84 t 1H J 9 \| 82 82 dd 1H J 13 88 \| 77 76 ddd 1H J 7 15 77 \| 75 74 m 2H \| 74 73 td 1H J 13 77 \| 73 73 m 2H \| 73 71 m 4H \| 69 69 ddq 1H J 9 20 75 \| 43 43 m 1H \| 42 42 t 2H J 66 \| 34 33 ddd 1H J 8 68 176 \| 32 31 ddd 1H J 8 93 176 \| 30 30 s 2H \| 29 29 tt 2H J 8 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCP(=O)(CC)c1ccc(-n2nc(C(C)(C)C)cc2C(=O)O)cc1	ir: 4 6 4 7 5 3 2 2 4 2 2 3 6 19 17 3 1 1 6 12 1 4 44 15 41 39 6 8 7 1 2 1 1 0 2 3 5 4 5 9 6 2 3 3 5 11 9 3 3 1 1 1 2 4 11 22 4 1 4 2 2 2 4 1 1 0 1 1 4 13 16 3 1 1 4 11 44 29 10 21 7 2 2 2 10 9 3 2 2 5 4 5 2 2 1 2 2 1 1 5 4 2 1 1 0 0 2 1 0 1 2 2 1 5 6 5 19 7 9 6 16 12 6 8 21 5 6 11 7 7 2 3 2 1 1 2 35 3 2 1 0 2 4 2 1 6 100 3 2 10 0 2 2 1 1 0 1 1 1 0 3 1 0 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 0 0 1 1 0 0 1 1 1 2 2 1 2 3 1 3 2 1 1 2 2 3 11 10 15 12 22 12 26 5 3 1 1 2 3 4 36 1 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 dd 2H J 76 133 \| 77 76 d 2H J 76 \| 74 74 s 1H \| 23 22 dq 5H J 76 119 \| 13 13 s 8H \| 11 10 dt 7H J 76 163	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2sc(C)nc2C(=O)N2C[C@H]3C[C@H]3[C@H]2CNC(=O)c2ccc(F)cc2)cc1	ir: 4 3 2 2 3 3 2 5 12 5 9 10 5 6 2 6 10 5 8 8 5 8 10 4 6 9 5 8 4 5 3 4 2 4 5 5 7 6 8 20 93 18 9 10 4 0 4 7 10 24 2 3 3 18 13 11 11 8 7 9 3 0 15 7 4 7 4 9 4 9 3 4 7 2 4 6 1 2 3 2 2 3 4 8 21 3 3 6 3 2 7 4 2 3 4 7 5 4 17 6 2 3 5 2 1 2 6 3 1 2 5 2 2 5 3 3 1 2 4 10 6 5 9 2 3 8 14 14 8 11 6 2 0 3 26 3 1 3 3 3 1 7 55 85 18 33 12 11 68 10 11 13 10 7 4 2 2 2 2 2 1 1 6 1 2 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 1 3 3 2 1 1 5 2 2 3 4 3 10 8 6 10 12 30 100 13 16 7 4 3 3 3 4 2 2 3 4 3 2 3 2 1 1 3 2 4 6 12 51 12 4 3 4 1 1 2 2 1 1 2 1 1 1 2 2 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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 0; 1HNMR: 80 79 m 2H \| 77 77 m 2H \| 74 73 m 5H \| 42 42 q 1H J 32 \| 39 39 dd 1H J 13 108 \| 38 37 ddd 1H J 32 62 123 \| 37 36 dd 1H J 31 108 \| 35 35 ddd 1H J 32 61 123 \| 29 29 s 2H \| 24 23 d 3H J 10 \| 15 14 dddd 1H J 35 43 54 77 \| 11 11 ddd 1H J 44 59 73 \| 11 10 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1cc(CCc2cccc(Cl)c2)ccc1C(=O)O)c1ccccc1	ir: 0 1 1 1 2 1 1 2 4 2 1 4 1 5 7 2 1 3 6 5 3 11 38 100 17 5 1 4 5 4 1 7 3 5 6 4 8 10 3 7 35 21 2 1 2 2 23 14 3 2 1 2 1 0 5 3 1 1 0 0 0 1 1 1 1 2 2 8 13 14 7 3 1 5 2 1 6 6 19 29 4 1 1 1 0 1 3 4 1 5 4 2 1 3 1 1 0 3 1 0 1 3 1 1 1 0 0 1 0 1 3 35 1 2 5 4 1 1 1 1 0 1 1 3 5 4 3 1 2 1 1 1 2 15 5 12 0 1 2 0 15 4 20 53 5 3 3 9 4 3 1 5 3 2 13 6 13 38 7 2 0 5 1 6 8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 1 1 1 2 3 7 10 17 44 38 11 7 1 1 3 1 0 4 34 10 2 0 1 1 1 1 3 1 1 1 2 3 15 31 9 5 3 2 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 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 m 2H \| 79 78 d 1H J 81 \| 76 75 dd 1H J 9 18 \| 75 75 m 1H \| 75 74 m 2H \| 73 72 m 2H \| 72 71 m 2H \| 70 70 ddt 1H J 8 17 82 \| 29 28 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NN=Cc1ccc(NC(=O)CCC(=O)NC(CC(=O)O)C2CC2)cc1	ir: 1 2 3 4 3 2 2 7 6 5 9 4 17 16 37 42 65 28 18 21 46 42 27 9 18 8 11 7 10 11 8 10 4 11 6 5 9 7 4 7 6 7 9 14 7 7 8 9 10 4 7 3 4 2 8 5 31 10 3 5 5 5 2 1 5 2 2 1 2 2 4 2 4 9 5 7 11 13 25 17 9 11 26 5 4 3 4 6 7 1 2 3 2 3 6 7 3 5 5 22 4 3 4 3 5 10 1 3 4 4 4 3 7 8 5 7 9 6 2 3 6 4 1 4 1 3 4 2 5 1 1 2 2 2 2 1 1 2 3 3 8 11 46 100 37 51 43 35 36 8 22 9 5 18 7 12 3 1 4 11 16 28 17 6 3 1 1 2 1 0 1 1 1 1 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 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 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 2 2 3 3 3 2 3 2 2 6 4 5 22 12 24 26 5 5 4 10 3 2 2 2 41 14 5 3 4 2 3 5 4 9 11 27 28 30 76 45 22 12 10 17 13 64 69 16 9 4 3 1 2 1 2 1 3 2 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 90 90 s 1H \| 76 76 m 5H \| 76 75 d 1H J 71 \| 57 56 s 2H \| 38 37 dq 1H J 61 71 \| 27 26 dd 1H J 60 167 \| 25 24 m 4H \| 24 23 dd 1H J 61 168 \| 15 14 dp 1H J 55 64 \| 6 6 m 2H \| 4 3 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(F)cccc2c1COS(C)(=O)=O	ir: 4 4 9 3 7 15 16 2 1 1 2 2 1 1 1 1 1 1 1 1 2 3 1 3 1 1 1 2 1 1 2 1 2 2 6 2 1 2 2 4 14 7 2 1 5 23 1 2 2 0 1 27 30 4 2 1 1 3 4 1 1 5 2 2 1 0 7 16 3 2 1 1 2 4 5 29 10 5 2 1 3 3 3 1 4 4 4 18 100 7 5 2 3 1 2 3 1 2 2 6 12 10 20 16 5 2 2 2 2 2 1 1 1 2 2 1 1 2 1 3 6 8 7 9 2 2 1 1 1 1 1 6 3 1 1 1 1 1 1 2 3 1 1 1 1 15 1 1 2 1 1 13 4 2 1 1 2 5 3 3 1 1 1 1 1 2 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9 13 1 1 1 1 1 1 1 1 0 1 3 2 18 19 2 6 26 22 9 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; 1HNMR: 80 79 dd 1H J 52 85 \| 78 77 dt 1H J 7 75 \| 74 73 td 1H J 51 76 \| 72 72 m 1H \| 69 69 d 1H J 82 \| 56 55 s 2H \| 38 38 s 3H \| 31 30 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(N(CCO)C(=O)OCc2ccccc2)c(O)c1	ir: 8 13 0 12 16 13 14 10 16 18 14 5 10 10 6 8 3 8 10 3 5 6 3 3 2 4 4 5 4 5 4 3 2 2 2 3 2 4 5 30 7 7 3 2 2 1 1 1 2 3 1 1 3 3 9 3 4 0 2 3 1 1 2 2 1 4 11 5 3 6 1 1 2 1 2 2 2 5 14 10 5 5 13 4 2 2 1 1 3 12 11 12 5 6 8 6 2 3 30 11 3 1 1 1 1 2 10 4 2 2 1 1 2 1 1 1 1 8 3 2 3 4 2 4 1 2 1 8 2 2 1 1 3 2 2 4 1 1 1 1 1 1 4 13 4 2 2 1 1 1 1 7 7 17 11 36 66 11 2 1 1 1 1 10 6 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 0 1 0 0 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 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 2 4 2 8 5 48 11 6 4 2 10 74 16 43 28 6 4 2 1 1 1 1 1 8 17 1 2 1 1 1 1 1 1 2 2 36 100 8 1 1 1 1 1 1 1 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 96 96 s 1H \| 74 73 m 6H \| 66 65 dd 1H J 22 84 \| 64 63 d 1H J 22 \| 53 52 s 2H \| 49 48 s 2H \| 45 44 t 1H J 61 \| 42 41 t 2H J 60 \| 39 39 q 2H J 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCNNc1nc(NC)c2nc(N3CCC(=O)CC3)nc(NC)c2n1	ir: 2 2 1 2 2 3 1 5 12 6 3 20 17 30 46 37 42 36 13 7 3 6 10 5 1 4 5 0 3 3 6 51 2 3 2 1 3 5 2 2 7 4 3 4 9 9 3 3 4 4 8 18 7 100 52 18 4 1 2 8 3 1 3 3 2 1 2 10 3 1 2 2 6 3 3 1 1 1 3 1 1 2 2 2 7 2 2 10 1 1 5 1 1 1 1 1 1 1 1 1 1 1 3 5 6 2 2 1 6 5 5 9 7 3 12 4 13 40 11 16 25 32 8 19 14 8 4 4 11 17 5 6 13 13 2 3 21 9 18 9 3 5 10 22 24 39 32 11 11 42 53 4 5 2 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 1 3 1 2 1 1 1 1 4 4 3 2 1 0 1 1 0 0 1 0 1 1 2 1 1 1 2 3 3 2 6 8 33 20 9 16 24 82 39 14 9 4 7 2 1 1 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 d 1H J 51 \| 71 70 q 1H J 53 \| 68 67 q 1H J 52 \| 46 46 dt 1H J 44 53 \| 37 37 m 4H \| 32 31 d 3H J 53 \| 31 31 d 3H J 53 \| 30 29 m 6H \| 16 15 qt 2H J 49 71 \| 9 9 t 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1nn(-c2ccc(C(F)(F)F)cn2)cc1I	ir: 3 5 3 4 2 3 3 3 4 2 3 2 2 1 1 4 5 2 2 2 3 1 1 1 2 5 2 1 2 1 1 1 2 13 3 3 2 2 1 2 2 0 19 2 2 1 1 2 1 1 2 2 1 13 2 2 2 5 11 2 4 38 13 4 4 3 3 2 1 3 2 2 5 25 12 3 7 4 4 4 6 62 39 6 14 5 32 100 8 3 5 3 2 3 3 2 24 3 3 3 1 2 10 14 4 2 4 3 1 4 18 4 5 3 3 27 30 23 12 10 16 4 6 11 7 2 3 4 2 10 12 11 4 3 5 17 24 2 3 3 2 2 1 2 2 1 1 2 1 1 1 2 2 6 10 2 1 2 1 2 1 2 2 2 5 10 3 1 1 11 1 1 1 2 1 0 20 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 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 5 3 2 2 1 2 2 2 2 4 3 12 24 19 6 43 7 9 82 15 8 5 3 3 2 2 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 87 dq 1H J 14 25 \| 84 83 d 1H J 110 \| 81 80 s 1H \| 79 78 ddt 1H J 13 30 110 \| 31 30 p 1H J 61 \| 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.
C=C(c1ccc(Cl)c(Cl)c1)C(F)(F)F	ir: 3 3 4 5 3 3 4 2 0 2 3 1 0 2 3 1 0 3 4 4 3 3 4 2 2 3 5 2 1 3 2 1 1 3 4 2 2 3 2 1 1 3 4 2 2 4 3 0 1 4 3 1 2 6 24 59 4 5 6 0 2 4 2 0 4 6 11 10 19 6 6 11 16 33 12 8 5 3 1 1 3 3 2 2 5 5 6 20 9 4 17 13 6 5 1 2 4 6 8 35 100 11 2 2 3 2 1 2 3 2 1 2 3 2 1 2 4 3 10 12 22 21 10 12 5 7 13 12 6 4 3 3 3 1 1 2 4 38 1 2 2 1 1 2 3 2 3 8 42 3 3 9 6 5 4 4 4 1 2 3 3 7 4 3 2 1 1 3 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 1 3 2 1 2 3 2 1 13 20 6 6 9 25 54 95 23 9 8 13 14 12 12 2 3 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2; 1HNMR: 75 75 d 1H J 21 \| 74 74 d 1H J 85 \| 71 71 dd 1H J 22 86 \| 59 59 p 1H J 20 \| 59 58 p 1H J 20	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N1CCN(C(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)CC1	ir: 1 3 2 7 10 3 4 4 2 2 5 2 3 4 3 6 5 5 3 3 4 7 9 24 13 5 3 2 3 3 2 8 5 3 4 4 8 43 34 60 4 7 13 21 16 13 4 1 4 3 3 0 3 23 24 32 7 3 2 2 1 2 1 2 3 1 2 2 17 35 11 3 3 2 9 0 1 1 1 3 1 2 4 2 2 4 2 2 4 4 2 2 2 4 2 3 12 2 1 5 1 13 39 3 3 2 1 6 9 10 4 2 3 3 12 4 4 3 14 8 3 3 4 7 12 9 10 7 8 6 7 27 15 27 10 49 32 13 4 2 6 10 3 29 24 13 11 14 15 13 66 65 7 6 19 8 7 100 5 1 1 1 3 13 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 0 1 2 1 1 1 2 2 1 2 2 1 1 2 4 3 2 23 9 9 91 18 9 4 3 2 2 2 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 5 10 12 21 4 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 98 98 s 1H \| 86 86 dd 1H J 16 40 \| 80 80 dd 2H J 21 62 \| 80 79 d 1H J 88 \| 79 79 dd 1H J 21 89 \| 78 76 m 3H \| 75 75 d 1H J 81 \| 72 72 ddd 1H J 18 40 68 \| 37 37 s 8H \| 21 21 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(CNc2nc(N)nc(C3=CCCO3)c2C#N)cc1C	ir: 2 1 4 2 5 3 8 9 7 7 1 2 6 2 2 2 1 2 4 1 2 4 2 3 5 1 3 3 3 7 8 5 2 3 3 2 1 1 2 0 1 2 2 2 12 31 3 3 3 2 2 1 2 4 2 2 1 0 2 1 1 1 1 1 2 2 1 2 0 2 1 1 1 1 2 0 0 0 0 0 0 0 0 0 0 1 0 0 1 2 1 1 2 4 1 2 1 0 1 1 1 0 0 0 0 0 0 0 0 1 0 1 0 0 1 2 8 3 6 1 1 1 1 1 0 0 1 1 1 2 1 1 1 1 1 1 1 2 1 5 5 8 8 5 5 13 9 3 24 35 8 8 10 32 3 1 2 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 1 2 2 3 3 4 1 1 0 0 1 0 1 0 1 1 1 1 1 1 1 1 3 5 11 0 5 7 10 7 9 4 2 1 3 100 2 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: 73 73 t 1H J 44 \| 71 70 m 2H \| 70 70 q 1H J 10 \| 63 62 s 2H \| 61 60 tt 1H J 9 48 \| 48 47 dt 2H J 8 44 \| 46 45 td 2H J 9 37 \| 30 29 dt 2H J 35 48 \| 23 23 d 3H J 9 \| 22 22 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2ncnc(Oc3ccc(NC(=O)OC4CCCCC4)c(C)c3C)c2cc1OC	ir: 2 7 14 4 1 3 3 2 2 7 4 3 2 3 4 3 0 7 6 7 16 18 27 14 2 10 14 5 8 17 43 20 26 25 25 16 10 9 8 3 4 10 4 2 2 3 3 1 4 8 48 11 16 23 15 10 10 10 6 5 10 9 2 4 5 4 4 6 15 36 6 2 9 5 8 12 6 6 1 2 4 3 2 7 7 5 1 1 3 3 2 3 5 3 3 3 7 3 20 26 4 2 5 12 16 8 5 4 13 16 10 12 18 5 3 4 7 5 8 5 10 6 4 9 7 2 3 4 9 8 8 5 7 4 4 4 4 8 10 10 13 20 20 23 22 3 16 9 16 14 27 78 12 12 33 21 100 38 3 5 4 4 2 4 2 1 9 11 3 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 0 1 2 2 0 1 3 2 0 1 3 2 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 1 3 4 4 2 3 4 2 3 3 5 6 13 25 5 20 33 31 8 6 3 3 3 2 2 2 2 2 1 2 3 2 2 2 3 2 2 4 7 9 29 49 17 5 6 4 3 1 1 2 2 1 1 3 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2; 1HNMR: 86 85 s 1H \| 76 76 s 1H \| 74 73 d 1H J 86 \| 73 73 d 1H J 86 \| 73 72 s 1H \| 68 68 s 1H \| 48 47 p 1H J 48 \| 39 39 s 2H \| 39 38 s 2H \| 22 22 s 2H \| 21 21 s 2H \| 19 18 dddd 2H J 48 62 82 133 \| 17 14 m 10H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(OC(C)(C)C)c1c(C)ccc(C)c1-c1ccc2c(c1)CCCO2	ir: 35 29 19 23 10 6 11 12 9 6 6 7 10 5 7 6 4 5 5 5 8 5 6 5 7 7 15 9 5 6 7 11 7 6 4 11 23 16 6 4 5 6 5 5 5 6 10 3 6 9 7 0 92 12 54 57 10 4 9 10 13 11 17 9 7 67 6 22 15 13 10 19 23 11 8 8 6 11 12 6 5 5 8 7 5 5 5 7 7 6 10 6 8 8 8 13 10 11 19 10 40 24 43 24 8 7 7 6 12 7 18 21 6 6 6 9 12 10 14 16 23 10 8 22 11 6 7 12 21 23 24 18 18 7 6 4 4 5 6 6 7 18 18 18 14 34 20 6 5 26 6 4 20 13 5 4 4 4 4 6 4 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 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 4 4 5 4 5 7 9 7 5 7 8 7 6 6 9 7 5 12 35 63 28 18 100 44 23 9 8 6 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 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: 74 74 dt 1H J 9 20 \| 72 71 m 2H \| 71 70 dq 1H J 9 88 \| 69 68 d 1H J 84 \| 57 56 s 1H \| 42 42 m 2H \| 35 35 s 3H \| 29 28 m 2H \| 24 23 dd 7H J 9 95 \| 20 19 m 2H \| 12 12 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC[C@]1(CC)CS(=O)(=O)c2cc(CCC(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1	ir: 3 7 8 5 3 6 7 18 14 13 19 7 14 11 8 10 10 14 14 61 19 31 20 21 10 8 4 2 3 2 7 3 2 4 2 2 7 5 3 7 9 14 5 7 4 6 7 2 4 8 6 9 7 6 5 33 8 7 5 3 2 4 3 2 4 13 7 3 8 12 2 2 6 13 10 10 19 25 21 8 16 7 4 7 95 9 6 6 3 5 4 7 4 8 7 8 4 3 6 5 4 6 3 9 4 3 5 3 6 12 7 6 21 13 4 3 2 4 3 11 6 11 20 13 17 9 6 15 13 10 5 4 5 7 10 53 42 16 6 6 12 11 26 31 18 11 7 11 4 1 1 2 5 1 1 5 3 1 1 2 1 0 2 3 2 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 2 1 2 7 3 5 9 4 2 1 5 3 5 7 17 9 8 13 20 5 3 3 3 3 3 1 15 100 18 5 4 7 3 10 13 9 0 46 32 0 3 4 1 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 77 t 1H J 9 \| 73 72 m 5H \| 71 70 d 1H J 6 \| 51 51 dt 1H J 10 77 \| 39 39 d 1H J 75 \| 38 38 s 2H \| 37 37 d 1H J 150 \| 35 34 d 1H J 152 \| 29 28 td 2H J 7 87 \| 26 25 t 2H J 88 \| 19 17 m 2H \| 16 15 m 2H \| 14 12 m 5H \| 9 8 dt 6H J 67 107	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(O)Cn1cc(-c2ccc3c(c2)OCCc2sc(-c4ncnn4CC(F)(F)F)nc2-3)cn1	ir: 4 3 6 3 2 4 2 3 6 22 6 2 4 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 3 1 1 1 2 2 1 2 2 2 2 2 6 2 3 1 1 1 1 2 2 2 1 1 1 4 7 4 4 2 3 4 8 2 2 10 3 2 3 2 15 2 1 2 2 3 3 8 4 7 8 4 4 3 1 8 2 1 1 3 8 6 5 4 2 2 1 3 3 2 8 5 10 4 6 5 19 5 2 3 2 3 4 2 3 3 4 3 2 5 4 4 3 2 1 2 2 2 5 7 11 33 4 3 3 2 2 2 1 2 3 1 1 2 0 4 1 3 22 2 1 3 4 2 1 9 2 2 1 1 1 1 0 1 1 1 2 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 2 2 3 4 4 6 2 2 2 6 4 10 14 6 6 16 13 8 16 5 5 6 40 100 16 6 3 3 3 2 1 2 2 2 2 4 2 2 5 2 2 2 1 1 2 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 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 81 80 s 1H \| 80 80 s 1H \| 78 77 d 1H J 86 \| 76 76 q 1H J 7 \| 75 74 dd 1H J 16 86 \| 73 73 d 1H J 17 \| 51 50 q 2H J 119 \| 44 44 t 2H J 62 \| 40 39 d 2H J 7 \| 32 31 m 3H \| 14 14 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(O)CNc1ccccc1	ir: 11 7 9 23 21 13 19 23 20 15 16 15 26 3 8 11 8 9 11 10 17 7 6 11 2 3 2 4 5 2 8 1 3 2 1 2 5 1 1 4 12 11 12 3 3 1 2 1 2 2 1 1 1 3 1 0 2 1 2 11 12 3 1 2 3 1 4 6 3 13 8 3 3 0 2 2 5 2 4 10 32 35 6 8 3 2 1 1 2 1 1 3 4 6 9 3 1 1 1 2 2 2 3 7 21 22 12 3 4 1 2 1 1 1 0 1 0 3 4 4 4 1 2 4 8 5 3 2 13 13 18 3 3 4 7 11 2 2 1 1 7 3 4 1 11 22 85 12 15 2 4 4 6 14 6 2 1 0 1 2 4 23 7 3 2 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 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 2 1 1 0 0 1 1 1 1 1 2 2 2 2 3 17 7 14 37 15 11 6 7 5 2 9 100 5 3 1 0 1 2 1 2 3 2 3 3 2 4 19 40 38 23 14 12 3 2 2 1 2 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 m 2H \| 68 68 tt 1H J 12 70 \| 66 66 m 2H \| 48 47 t 1H J 55 \| 34 34 d 2H J 55 \| 32 32 s 1H \| 13 12 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OCc2ccccc2)c2ccccc21	ir: 10 15 14 16 5 4 2 7 5 8 4 2 4 3 2 2 2 1 1 2 2 2 1 1 5 4 3 8 7 9 21 29 4 4 2 5 5 7 14 44 32 2 15 42 2 2 1 1 1 1 1 1 1 1 1 2 1 0 1 2 2 6 3 7 5 8 5 3 10 9 4 3 9 3 2 5 1 9 6 2 1 1 2 2 1 1 2 2 29 9 2 1 2 2 2 9 11 2 4 8 2 5 5 4 7 20 9 4 1 4 4 2 0 3 3 2 3 2 8 23 16 19 14 24 14 6 32 19 11 9 9 8 3 3 5 28 4 3 7 16 1 5 14 100 93 68 25 7 6 40 9 6 4 1 4 12 2 0 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 3 3 2 2 4 3 1 2 4 7 6 6 10 25 5 23 94 56 10 7 12 5 5 1 0 2 2 2 1 2 2 1 1 1 1 1 1 2 6 5 27 35 9 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; 1HNMR: 76 76 m 1H \| 74 73 m 8H \| 72 71 td 1H J 14 71 \| 70 69 m 1H \| 58 58 d 1H J 86 \| 52 51 m 2H \| 46 45 dt 1H J 66 86 \| 41 40 td 2H J 9 54 \| 33 33 ddd 1H J 9 66 148 \| 31 30 ddd 1H J 9 66 146 \| 19 18 tt 2H J 54 72 \| 14 14 s 7H \| 14 13 m 4H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)c2ccccc2c1N	ir: 23 17 7 10 11 25 9 7 9 11 5 10 8 6 24 13 8 3 3 5 6 3 4 6 5 4 4 6 10 9 91 22 13 4 2 7 5 3 4 8 4 3 4 4 40 2 3 7 3 2 4 10 10 6 13 19 15 1 7 6 5 1 3 9 8 1 3 4 3 5 7 4 5 3 4 6 12 12 11 26 4 4 9 7 4 14 6 5 3 11 24 100 46 11 10 7 2 13 7 18 2 2 4 4 3 4 5 5 3 17 4 5 33 3 10 8 3 13 9 3 1 3 4 2 5 13 5 4 6 6 4 2 2 4 4 4 8 12 7 7 5 4 3 2 2 4 14 4 2 19 4 2 3 17 5 12 59 20 16 43 12 8 5 7 13 5 2 4 4 5 3 1 2 4 2 2 2 3 2 1 3 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 2 1 2 4 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 2 2 3 3 1 2 3 3 2 2 3 3 2 3 5 3 6 3 3 3 2 3 4 3 2 3 6 4 3 8 69 23 31 5 6 4 4 4 86 44 0 3 4 2 1 2 3 2 7 26 4 2 1 3 3 3 2 3 5 3 23 69 2 3 3 4 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 3 2 3 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 80 79 dd 1H J 14 77 \| 79 79 m 1H \| 76 75 td 1H J 13 77 \| 75 74 ddd 1H J 12 68 79 \| 72 72 d 1H J 11 \| 50 50 s 2H \| 41 40 p 1H J 33 \| 23 23 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1nc2ccc(I)cn2n1	ir: 2 3 4 3 2 2 2 2 2 4 3 4 2 2 2 3 3 2 2 2 2 2 3 2 24 14 5 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 5 2 2 2 6 3 2 2 2 2 2 2 2 2 2 4 12 5 9 7 5 3 7 8 3 2 2 2 2 2 2 2 2 2 2 2 2 3 8 2 2 2 2 2 19 3 2 4 3 2 2 3 3 4 3 3 3 2 2 2 2 2 2 2 2 2 2 3 2 4 2 2 2 2 3 5 3 3 3 3 2 5 10 11 8 6 5 5 3 3 3 3 2 2 3 12 14 3 16 4 1 0 8 100 14 5 0 1 4 32 6 2 3 3 1 2 3 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 2 2 2 2 2 2 2 5 4 6 11 6 8 8 13 17 17 7 5 5 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 90 90 d 1H J 13 \| 79 79 dd 1H J 13 86 \| 76 76 d 1H J 86 \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](NCc1ccc(F)cc1)C(F)(F)F	ir: 2 3 2 3 2 3 5 2 3 4 5 2 1 2 4 1 4 5 3 1 1 1 1 1 1 2 2 2 3 6 7 7 2 3 9 4 2 2 2 1 2 2 2 3 4 8 12 12 11 18 15 5 10 8 14 100 46 4 2 3 5 3 5 8 8 5 2 1 9 6 14 18 6 7 2 1 2 2 2 4 7 3 2 1 2 4 3 2 2 3 3 1 3 3 3 4 5 6 5 6 2 12 31 3 4 3 3 4 7 30 48 18 12 6 11 44 37 10 15 4 2 3 5 6 4 4 4 6 6 3 4 8 25 23 4 3 2 2 2 2 2 2 2 2 2 3 10 28 5 2 2 6 7 1 1 2 2 2 1 2 1 3 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 2 2 3 3 2 2 2 2 2 2 2 3 4 3 4 6 8 0 29 37 6 6 5 4 5 5 4 2 2 3 2 2 2 2 3 6 5 10 32 69 22 27 12 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 73 ddt 2H J 9 34 79 \| 71 70 m 2H \| 41 40 ddt 1H J 8 49 138 \| 40 39 ddt 1H J 8 46 138 \| 37 36 ddddd 1H J 24 53 77 93 130 \| 33 32 dtq 1H J 24 47 94 \| 10 10 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CCC(C(C)C)C(OC(=O)CBr)C1	ir: 7 3 0 4 4 6 13 7 4 4 1 2 1 2 1 6 11 17 5 2 1 4 9 10 13 6 1 7 5 3 2 2 6 5 3 5 1 2 1 1 5 6 10 2 2 1 1 3 3 1 4 3 4 1 4 6 2 0 5 1 1 1 4 6 5 2 3 1 1 1 1 2 1 1 2 6 7 5 5 5 2 3 6 4 5 4 2 2 2 2 1 1 3 4 9 13 15 10 3 3 4 4 0 8 12 25 16 25 36 39 53 23 1 8 11 8 9 12 33 16 6 45 25 20 9 17 8 8 18 12 3 6 4 7 2 1 2 3 2 1 1 1 11 22 84 26 7 1 2 1 3 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 2 1 2 7 3 3 8 8 21 19 11 8 12 10 15 11 19 100 59 13 4 2 2 2 2 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 49 49 dt 1H J 55 77 \| 39 38 m 2H \| 20 17 m 3H \| 17 15 m 2H \| 15 13 m 3H \| 13 12 dddd 1H J 54 62 79 131 \| 9 8 ddd 6H J 15 67 110 \| 8 8 d 3H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)C(NC(=O)c1ccc(Cl)cc1F)n1nnc2ccccc21	ir: 3 5 4 5 8 5 2 2 3 4 5 9 5 3 5 4 3 10 12 12 5 4 6 11 13 7 4 7 4 10 26 12 6 14 3 6 7 3 3 8 11 13 37 76 33 71 21 4 6 8 4 0 5 7 4 2 11 6 3 3 6 9 9 23 17 50 49 25 11 5 3 2 3 5 2 3 24 10 5 3 4 5 18 5 6 5 7 3 7 17 6 3 4 3 2 2 5 4 1 2 5 7 2 6 8 5 2 2 4 3 2 3 5 6 6 5 19 6 8 9 8 18 7 9 13 12 21 5 4 8 12 30 8 5 3 14 58 4 2 5 64 15 8 34 41 27 27 9 18 18 7 45 16 62 10 6 5 2 3 4 7 60 4 2 3 2 2 2 2 2 2 2 2 2 3 3 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 3 3 2 3 2 3 2 5 10 5 13 8 18 21 0 27 100 56 28 9 6 4 5 6 3 4 5 3 2 3 4 2 2 3 6 3 2 9 17 10 14 44 37 34 17 7 3 4 4 3 3 2 2 3 2 2 2 2 3 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 88 88 d 1H J 77 \| 80 80 dd 1H J 16 75 \| 78 77 dd 1H J 51 82 \| 77 77 dd 1H J 15 85 \| 76 75 ddd 1H J 13 71 86 \| 74 73 m 2H \| 73 72 dd 1H J 21 81 \| 60 59 ddp 1H J 15 31 77 \| 11 11 d 9H J 15	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC(CC)C(=O)c1nc2cscc2s1	ir: 4 9 16 15 18 11 10 14 10 9 11 12 16 31 19 19 9 14 15 10 8 8 9 25 7 9 9 6 7 8 17 8 11 9 13 5 15 19 11 6 10 17 17 7 34 26 22 11 7 12 11 6 7 8 12 12 24 11 19 6 11 14 8 6 6 8 7 4 6 9 6 6 12 10 13 12 11 16 7 5 10 25 8 6 8 10 6 19 64 20 6 6 7 8 6 7 7 8 8 10 11 15 6 12 17 19 32 31 43 29 20 30 29 41 38 29 68 58 41 58 51 25 12 22 21 16 23 33 21 10 7 12 17 27 20 12 9 7 9 8 5 8 15 1 49 1 0 11 8 2 3 9 7 7 78 13 7 3 5 10 10 23 8 8 5 3 5 8 5 2 5 8 5 2 5 8 5 2 5 7 4 2 5 7 4 3 6 7 4 3 6 7 4 3 6 6 4 4 6 6 3 4 7 6 3 4 6 6 3 4 7 6 3 4 7 5 3 5 7 5 2 5 7 5 3 5 8 5 2 5 7 6 4 5 7 5 4 5 7 5 3 6 7 4 3 6 7 5 4 7 6 4 4 7 7 4 4 8 7 5 5 7 9 4 5 8 6 4 12 18 17 14 13 21 15 17 24 15 20 14 28 29 43 80 100 86 87 63 37 24 14 8 12 7 6 5 7 7 6 4 6 7 5 4 5 6 4 4 6 6 4 4 6 6 4 4 6 6 4 4 6 6 3 4 6 5 3 4 6 5 3 4 6 5 3 5 6 5 3 5 6 5 3 5 6 5 3 5 6 5 3 5 6 4 3 5 6 4 3 5 6 4 4 5 6 4 4 6 6 4 4 6 6 4 4 6 5 4 4 6 5 4 4 6 5 3 4 6 5 3 4 6 5 3 5 6 5 3 5 6; 1HNMR: 74 73 d 1H J 17 \| 73 72 d 1H J 16 \| 32 31 ttq 1H J 15 62 77 \| 18 17 m 2H \| 16 12 m 6H \| 10 8 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccccc1Oc1ccc(N2C(=O)N[C@H](C)C2=O)cn1	ir: 3 3 6 8 4 14 5 10 13 12 5 11 3 2 3 5 2 2 3 3 1 1 1 1 1 2 2 2 4 5 1 2 1 2 12 9 20 16 3 3 4 7 18 51 19 14 5 5 3 1 4 5 5 5 22 11 7 3 2 2 3 1 1 1 1 1 2 1 2 2 10 1 2 5 3 5 2 2 1 1 1 1 2 1 1 1 1 1 2 6 6 2 2 3 1 2 1 2 2 2 2 2 3 3 18 3 2 1 1 1 2 4 3 5 2 3 7 4 2 1 2 1 2 6 8 3 1 2 2 1 1 2 10 4 0 9 9 100 13 0 1 4 4 5 2 2 2 1 10 9 14 11 6 4 2 3 2 2 55 7 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 7 3 3 4 4 3 8 18 13 14 3 2 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 3 5 23 29 5 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; 1HNMR: 84 84 d 1H J 19 \| 80 80 d 1H J 55 \| 79 78 dd 1H J 19 83 \| 72 72 ddt 1H J 8 17 79 \| 72 71 m 1H \| 70 70 m 2H \| 68 68 d 1H J 83 \| 45 45 p 1H J 58 \| 27 26 qd 2H J 9 73 \| 13 13 d 3H J 59 \| 12 12 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(NC(=O)c2ccccc2)nc2ccccc2c1=O	ir: 2 6 3 3 5 5 7 4 4 3 3 3 2 4 2 2 2 3 4 5 4 3 3 2 3 4 5 8 7 8 12 33 6 9 14 7 8 8 16 40 85 23 27 77 17 6 16 40 35 18 7 5 4 3 4 5 3 7 2 2 2 6 2 3 3 3 3 3 21 4 3 4 4 3 3 5 8 4 8 6 3 3 3 5 2 3 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 10 3 3 3 3 2 2 2 4 3 3 22 9 6 11 3 4 4 5 11 3 4 5 7 12 5 2 4 3 5 13 6 6 5 3 4 13 11 63 11 7 10 12 18 67 20 45 11 3 5 7 6 3 5 76 2 4 24 4 4 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 3 2 2 3 3 2 3 5 8 0 19 100 28 10 7 2 3 3 2 2 3 3 3 2 3 3 2 3 3 9 6 3 3 5 16 13 29 48 13 5 3 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 94 94 s 1H \| 83 82 dd 1H J 13 80 \| 78 78 m 2H \| 77 77 ddd 1H J 15 71 85 \| 76 74 m 5H \| 34 34 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)CN(CC(=O)NC)Cc1ccccc1	ir: 0 5 6 3 1 3 2 3 1 2 4 2 1 2 3 2 3 11 10 2 4 4 3 3 4 5 8 15 11 8 27 27 21 20 26 17 28 24 24 18 65 13 6 5 9 8 2 2 7 5 4 5 11 7 4 2 2 2 1 0 2 3 2 2 3 9 1 2 5 4 1 2 2 3 2 5 6 3 3 4 5 4 14 14 10 6 1 1 2 20 2 2 2 1 2 1 5 11 5 6 7 13 2 2 2 2 1 1 1 1 1 1 2 1 0 1 2 1 1 3 4 5 7 10 12 5 6 7 2 6 7 8 3 2 3 9 4 2 3 4 4 12 17 23 55 56 56 100 36 4 4 16 5 1 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 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 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 2 1 1 1 2 1 3 2 2 2 1 1 2 2 3 14 14 11 7 9 8 3 2 2 4 3 2 2 1 1 1 2 1 1 2 3 3 5 4 7 13 45 64 36 13 19 7 6 3 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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: 73 72 m 6H \| 60 60 q 2H J 49 \| 37 37 d 2H J 9 \| 34 34 s 3H \| 28 28 d 6H J 49	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(-c2cnc3c(c2)N(Cc2ccccc2OC(F)(F)F)CCN3)cc1	ir: 6 5 13 11 6 14 5 6 7 7 8 10 11 11 18 20 13 8 10 7 3 2 2 3 2 3 8 2 2 4 1 7 4 3 5 7 10 9 3 48 15 5 30 47 18 4 3 0 2 4 2 2 3 4 11 7 10 15 5 3 2 2 3 2 2 2 3 9 5 21 3 2 6 2 6 3 2 2 2 1 7 4 5 8 2 3 3 4 2 5 5 8 9 100 12 13 7 6 16 100 21 36 12 7 4 6 6 5 3 1 2 2 11 6 4 6 22 22 11 12 8 8 7 13 11 10 14 7 4 6 13 9 3 2 4 2 5 7 3 2 2 13 25 37 29 19 6 4 3 16 38 36 6 3 3 4 9 1 2 6 1 2 1 3 2 9 2 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 2 2 2 2 2 1 1 1 2 3 4 7 6 11 26 15 9 7 2 2 3 3 1 2 3 1 0 2 2 2 1 1 3 1 3 3 6 4 16 26 25 12 20 5 3 2 4 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 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: 81 80 dd 3H J 16 89 \| 77 76 m 2H \| 73 72 m 2H \| 72 72 dd 1H J 13 71 \| 72 71 d 1H J 18 \| 71 70 td 1H J 13 77 \| 66 66 t 1H J 34 \| 47 47 d 2H J 7 \| 44 44 q 2H J 64 \| 36 36 m 2H \| 35 34 dd 2H J 44 55 \| 14 14 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)=CC[C@H](C(=O)OC(C)(C)C)[C@@H](CC(C)C)C(=O)NN(CC(C)C)S(C)(=O)=O	ir: 32 18 12 21 31 7 29 12 4 13 27 17 30 6 8 10 23 5 9 2 3 2 1 2 3 1 2 3 2 5 7 8 7 8 10 5 4 15 13 11 19 95 33 19 15 46 12 3 4 3 8 13 5 8 4 3 13 8 7 8 5 5 12 4 8 8 12 8 49 12 9 9 9 15 18 15 7 4 6 9 4 3 5 6 4 8 100 42 55 27 9 16 49 16 17 7 12 9 8 10 7 18 23 38 16 17 70 73 17 22 24 13 27 20 29 11 8 16 17 32 41 26 36 13 9 8 6 16 10 21 11 12 7 4 3 2 5 5 4 3 5 4 4 10 8 43 61 27 11 40 84 9 2 2 1 1 1 2 5 2 2 2 2 1 1 1 0 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 0 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 4 14 14 5 4 5 3 7 7 6 8 22 8 24 54 96 48 39 19 12 3 5 4 3 3 1 1 1 1 1 2 3 2 2 3 2 1 2 1 3 3 38 100 35 15 8 5 1 1 1 2 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 78 78 s 1H \| 52 51 tp 1H J 16 77 \| 31 30 dt 1H J 75 115 \| 30 29 d 2H J 60 \| 29 28 dt 1H J 75 115 \| 27 27 s 2H \| 25 24 m 1H \| 23 22 m 1H \| 19 18 m 1H \| 18 16 m 6H \| 16 16 hept 3H J 12 \| 15 14 ddd 1H J 75 97 124 \| 13 13 s 7H \| 10 9 m 10H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1c(C(=O)c2ccccc2)cnc2c1cnn2Cc1ccco1	ir: 7 4 5 4 4 5 3 4 4 4 10 9 13 3 3 2 5 4 5 2 6 6 4 1 1 3 10 17 6 6 11 14 24 24 17 11 40 81 63 28 3 7 27 27 13 8 3 4 7 3 2 17 9 8 4 7 7 6 1 4 1 0 1 5 7 7 25 41 30 16 4 4 3 8 11 13 3 2 4 4 3 17 7 8 1 1 1 1 0 7 6 14 11 4 6 5 2 1 8 21 18 17 16 3 1 2 3 2 1 1 1 2 4 7 5 11 5 35 25 26 8 8 19 17 26 4 9 2 3 3 1 4 9 33 9 10 8 6 9 7 12 53 21 21 19 19 17 10 9 49 11 59 75 26 22 16 19 3 1 17 65 30 3 2 1 1 1 0 0 0 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 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 1 0 0 0 0 0 1 1 2 1 1 1 1 1 3 3 3 3 2 3 3 1 3 39 22 35 32 52 100 72 35 10 14 4 1 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 s 1H \| 83 82 s 1H \| 78 77 m 2H \| 76 76 m 1H \| 76 75 m 2H \| 73 72 t 1H J 16 \| 67 66 ddt 1H J 9 17 37 \| 63 63 dd 1H J 16 40 \| 57 56 d 2H J 7 \| 42 41 q 2H J 62 \| 15 14 t 3H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Ic1c[nH]c2cccnc12	ir: 20 11 0 3 6 3 4 6 6 3 1 4 7 8 8 4 7 5 8 10 5 2 2 4 5 3 2 6 6 2 3 5 4 1 2 5 4 4 6 7 5 1 28 18 5 0 4 11 63 89 52 3 5 7 7 5 3 2 4 6 6 3 7 6 29 10 4 7 3 0 8 28 9 3 6 7 4 2 7 6 2 2 6 9 15 2 5 8 6 3 5 4 1 3 6 5 3 3 6 8 3 3 7 13 36 44 8 3 3 5 6 3 9 16 11 8 2 5 9 13 43 50 42 14 5 3 3 3 3 7 11 9 2 4 4 3 2 4 4 2 2 5 5 2 2 4 4 10 21 20 4 1 2 4 4 1 3 5 4 2 2 5 3 1 3 4 3 0 25 4 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 2 1 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 5 4 2 3 4 3 1 3 4 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 2 1 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 5 4 2 3 5 4 2 7 13 13 31 22 10 16 13 46 62 6 7 4 7 5 2 3 5 5 2 4 4 3 3 5 9 12 9 100 75 22 3 4 3 2 3 4 3 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 1 3 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 98 98 d 1H J 77 \| 86 86 dd 1H J 21 41 \| 78 78 dt 2H J 11 79 \| 74 73 dd 1H J 40 79	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C)c(-n2cc(Cl)cn2)c(C)c1	ir: 3 1 1 1 2 1 1 1 1 2 12 5 7 34 12 2 1 2 2 1 1 2 2 1 1 1 1 1 3 3 1 1 0 1 1 0 0 1 1 2 2 2 1 0 1 1 1 6 3 1 1 0 1 1 1 0 2 5 1 2 1 2 3 7 10 10 15 8 17 7 17 37 30 10 6 2 5 2 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 2 7 41 17 1 1 5 1 0 1 1 2 5 4 9 3 2 2 2 1 0 1 1 2 2 2 2 36 1 2 3 2 2 4 4 10 1 3 3 1 1 1 1 1 1 1 3 29 0 2 2 0 0 3 2 1 3 8 3 1 2 3 9 0 1 2 1 1 41 3 2 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 2 3 3 2 2 2 2 1 1 3 2 1 2 3 3 10 11 8 14 100 15 56 27 9 6 5 2 4 10 2 1 1 1 1 1 0 1 1 1 1 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 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 \| 80 79 s 1H \| 68 67 s 2H \| 39 38 s 3H \| 23 23 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C[C@H](CSc2ccccn2)C=C2c3cccc4[nH]cc(c34)C[C@H]21	ir: 2 9 4 11 4 5 11 5 4 9 8 3 7 8 4 3 2 3 10 6 1 9 8 11 6 25 30 20 3 7 5 0 7 12 8 2 12 39 42 20 9 6 4 1 7 21 35 34 37 14 5 0 8 32 30 20 6 8 4 8 5 9 7 6 14 11 11 10 28 36 14 10 9 12 9 7 17 25 26 10 12 9 5 10 13 12 14 3 7 16 13 10 5 6 3 4 8 6 2 8 11 7 33 19 18 5 7 3 44 17 19 3 7 3 1 4 11 14 11 13 9 12 15 8 5 7 1 6 7 11 33 42 100 28 39 24 44 46 35 29 8 4 28 15 16 3 4 6 7 2 4 12 10 24 35 33 29 7 5 11 13 19 4 4 2 1 2 2 2 1 2 3 2 0 2 3 1 1 2 3 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 3 2 0 1 3 2 0 1 3 1 0 1 3 1 0 1 3 1 0 2 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 2 2 3 1 3 4 4 3 6 6 7 0 7 8 13 11 20 24 82 54 66 70 19 45 17 6 4 4 6 6 1 1 2 2 1 2 2 3 1 1 2 3 1 11 25 72 44 5 6 3 1 1 4 3 2 1 3 4 2 1 3 2 1 1 3 2 0 1 3 2 0 1 3 1 0 1 3 1 0 2 3 1 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 91 91 d 1H J 68 \| 84 84 dd 1H J 16 37 \| 76 75 td 1H J 17 68 \| 74 73 dd 1H J 13 82 \| 73 73 dd 1H J 12 81 \| 72 71 m 4H \| 61 60 ddq 1H J 9 18 55 \| 38 37 dddq 1H J 15 28 43 88 \| 33 32 ddd 1H J 9 71 145 \| 32 31 m 2H \| 30 29 ddd 1H J 9 71 145 \| 29 28 m 2H \| 27 26 m 1H \| 24 23 d 3H J 15	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cn(-c2ccc(Nc3ncn(C(C)c4ccccc4)n3)cc2C#N)cn1	ir: 0 3 2 2 1 1 1 0 1 2 3 4 4 4 5 3 2 2 2 2 3 2 2 1 1 2 1 1 1 1 5 19 2 3 1 7 13 3 2 2 4 13 2 5 2 1 1 1 1 1 1 1 1 1 4 21 3 1 1 3 1 2 1 2 2 5 2 6 19 7 2 4 2 2 2 1 1 2 2 2 1 1 1 2 1 1 1 1 7 4 3 6 5 4 3 7 4 5 4 14 4 2 3 14 3 2 1 23 3 1 1 2 2 1 2 5 3 2 3 4 2 1 1 2 2 1 3 2 2 2 1 1 1 1 1 5 2 5 1 0 1 3 11 5 4 6 2 3 1 0 2 8 4 2 1 2 1 0 1 1 1 0 1 6 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 7 3 1 1 1 1 1 1 1 1 2 6 7 11 9 8 14 100 38 29 2 0 1 1 2 0 1 1 1 0 0 1 0 0 1 1 0 1 1 1 2 15 5 2 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 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; 1HNMR: 87 87 s 1H \| 83 83 s 1H \| 80 80 d 1H J 18 \| 78 77 d 1H J 21 \| 77 77 d 1H J 70 \| 75 74 m 2H \| 73 72 m 5H \| 53 52 m 1H \| 23 23 s 2H \| 18 18 d 3H J 49	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2c(F)cncc2F)s1	ir: 1 5 1 1 1 1 5 9 1 1 1 2 2 2 2 4 2 3 7 7 4 4 4 16 6 5 1 3 4 5 2 5 6 20 20 19 7 8 7 5 3 3 4 3 7 19 7 6 3 3 2 1 1 1 1 1 1 2 9 3 2 2 2 2 2 2 4 3 3 6 13 18 6 10 4 2 3 4 7 12 8 1 1 1 1 3 10 11 2 1 1 1 1 1 12 6 1 2 100 36 3 1 0 1 4 2 3 8 6 2 2 13 7 22 8 2 2 1 0 1 1 1 2 1 1 1 0 1 1 1 1 3 7 7 2 1 5 1 1 1 2 6 21 4 3 2 6 14 36 47 13 9 2 2 1 2 2 0 9 2 2 3 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 1 1 1 0 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 0 0 0 1 1 1 1 1 1 3 1 3 2 2 12 8 5 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 9 12 17 65 75 14 2 7 3 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 84 83 d 2H J 142 \| 80 80 s 1H \| 69 69 q 1H J 17 \| 39 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(NC(=O)c3cn[nH]c3)cc2)C1	ir: 1 2 6 4 11 22 11 3 0 3 12 9 7 1 4 6 3 6 16 13 1 2 1 2 2 1 1 1 1 1 1 1 3 3 1 1 1 8 2 7 9 100 9 9 4 2 2 3 4 3 1 2 4 4 7 21 6 2 2 0 3 3 3 2 1 1 3 1 6 3 4 0 2 2 4 1 2 2 1 1 3 1 1 0 1 1 1 1 3 31 5 1 1 3 1 1 2 6 1 3 1 1 2 2 10 1 1 1 2 1 3 2 18 7 0 2 3 3 4 5 9 8 7 4 14 4 4 4 3 5 7 6 2 2 1 2 1 2 3 2 2 27 9 3 15 3 1 1 3 29 19 17 22 40 5 4 1 2 3 1 2 0 1 3 1 0 1 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 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 1 1 2 1 2 1 1 1 2 2 1 1 1 2 3 5 18 5 6 32 5 5 21 7 1 1 1 0 1 1 2 1 1 1 0 0 1 2 1 1 3 8 13 9 40 6 40 5 2 1 1 1 1 0 0 0 0 0 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 16 \| 81 80 dd 1H J 17 34 \| 77 76 m 2H \| 73 73 m 2H \| 51 50 m 1H \| 41 40 dd 1H J 19 124 \| 40 40 ddd 1H J 38 59 106 \| 39 38 m 2H \| 37 36 m 2H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(-c2ccc3c(c2)CCCN3c2nn(C3CCNC(=O)C3)c3c2CNCC3)cn1	ir: 5 5 2 3 6 6 2 4 7 4 4 5 8 2 3 2 5 4 2 3 5 5 2 7 7 4 7 5 15 36 24 11 4 3 1 5 4 8 2 3 2 1 2 3 3 2 3 6 4 0 9 3 4 12 25 8 7 8 5 4 3 2 2 11 26 12 4 8 6 7 5 4 3 2 3 3 1 3 10 3 3 7 2 2 1 2 3 3 2 4 8 5 2 1 4 4 2 1 2 2 1 2 4 3 1 2 5 3 5 8 36 12 6 7 14 5 4 7 11 16 20 6 7 4 3 4 9 6 11 9 3 5 4 16 5 7 2 6 11 1 6 2 2 2 2 3 2 17 6 29 13 6 43 100 14 3 4 6 2 1 1 3 2 0 1 3 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 5 3 4 2 2 4 2 2 4 9 12 7 5 8 9 3 12 8 3 2 2 3 2 1 2 2 2 2 2 2 2 3 9 44 13 4 10 11 9 12 8 4 2 4 4 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0; 1HNMR: 82 81 s 1H \| 78 77 s 1H \| 76 75 dd 1H J 22 77 \| 73 73 dd 1H J 10 21 \| 73 72 d 1H J 78 \| 63 63 t 1H J 31 \| 45 44 p 1H J 47 \| 42 41 d 2H J 51 \| 39 39 m 2H \| 39 39 s 3H \| 39 38 tt 1H J 33 52 \| 35 34 ddt 1H J 30 58 130 \| 34 33 ddt 1H J 30 59 128 \| 32 31 td 2H J 33 43 \| 29 28 m 5H \| 26 25 dd 1H J 49 169 \| 23 22 dddd 1H J 28 44 57 145 \| 21 20 m 2H \| 20 19 dddd 1H J 29 44 55 145	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cccc(CC#N)c3)nc21	ir: 8 6 2 5 11 23 7 7 5 5 2 4 6 4 1 3 5 2 1 4 4 1 2 4 5 7 1 4 5 8 4 6 5 6 8 9 38 39 13 10 8 100 58 7 4 4 19 24 17 3 5 7 5 18 39 42 10 1 13 13 10 4 9 7 4 2 6 7 9 3 5 5 2 0 4 5 3 1 4 5 4 2 4 4 2 1 5 5 3 7 17 4 2 4 6 4 1 3 27 7 2 3 5 4 2 2 4 3 0 2 5 3 3 4 7 6 2 6 9 18 10 8 14 8 6 8 10 4 2 5 15 17 10 6 5 6 36 23 9 49 7 19 28 10 2 5 4 1 7 6 9 3 29 31 32 34 7 6 19 17 2 6 4 4 4 5 3 0 2 5 2 0 2 4 2 0 2 5 3 0 4 5 2 0 3 4 2 0 3 4 1 1 3 4 1 1 3 4 1 1 4 3 1 1 4 3 1 1 4 3 1 1 4 3 0 2 4 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 3 4 2 0 3 4 1 1 3 4 1 1 3 4 1 1 3 3 1 1 4 3 1 1 4 3 1 2 4 3 1 4 6 3 1 3 6 3 1 3 7 4 3 5 30 14 12 37 81 52 25 10 5 4 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 3 1 2 4 3 1 2 4 2 1 2 4 2 0 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 4 2 1 2 4 2 1; 1HNMR: 79 78 m 2H \| 78 78 tt 1H J 9 19 \| 77 77 ddd 1H J 13 22 81 \| 75 74 t 1H J 78 \| 74 74 ddq 1H J 9 22 76 \| 41 40 s 2H \| 38 38 t 2H J 8 \| 37 37 s 3H \| 10 10 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)CCN1CCC2(CC1)COc1c2ccc(O)c1F	ir: 35 6 4 4 7 8 6 1 2 4 4 1 1 1 1 1 1 2 2 1 1 1 3 2 4 2 2 3 13 3 4 2 2 11 1 1 1 5 8 2 9 2 3 3 2 2 1 1 1 2 2 0 2 10 15 31 8 0 3 4 2 3 4 2 3 3 5 7 4 2 2 2 1 2 1 1 1 3 5 5 14 3 2 31 15 16 17 100 26 12 9 5 4 3 4 2 3 6 3 3 12 1 3 3 3 2 6 3 4 1 1 2 2 2 4 3 3 4 1 4 4 5 6 5 4 2 3 4 4 4 11 6 2 3 4 3 4 4 1 3 3 3 23 8 10 13 4 7 3 2 1 1 2 3 2 1 1 1 1 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 2 1 2 2 2 3 5 7 16 5 5 4 16 9 6 4 2 1 2 29 6 4 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; 1HNMR: 69 68 m 2H \| 66 66 dd 1H J 48 102 \| 42 42 s 2H \| 29 29 ddd 2H J 34 61 123 \| 28 27 m 5H \| 25 25 t 2H J 62 \| 22 21 ddd 2H J 35 62 130 \| 19 19 ddd 2H J 33 60 128 \| 14 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccc(SC(=O)c2ccccc2Cl)cc1)c1ccccc1Cl	ir: 0 3 4 2 1 3 3 1 1 1 5 15 4 14 2 1 1 2 1 1 1 1 1 1 2 2 5 1 1 2 6 4 4 6 1 1 1 1 2 4 11 41 18 8 5 4 1 5 4 6 4 0 2 2 2 9 15 4 2 2 1 1 6 1 1 0 1 2 2 13 1 1 0 1 1 2 2 1 1 1 1 1 1 1 1 1 1 5 6 3 1 1 1 1 3 3 16 7 1 2 1 3 5 8 1 2 0 1 1 1 0 1 1 1 3 18 1 1 5 1 0 1 1 2 1 2 1 1 1 1 7 34 1 3 10 4 21 14 2 1 2 2 5 25 13 4 6 16 24 21 24 9 12 12 5 11 2 1 5 8 1 1 8 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 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 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 3 4 32 100 31 15 7 7 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 10 13 13 24 6 4 1 0 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 89 89 s 1H \| 79 79 m 1H \| 78 78 dd 1H J 18 77 \| 77 77 m 2H \| 76 76 m 1H \| 76 76 m 2H \| 75 75 dd 1H J 18 77 \| 75 74 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)c1cc(F)ccc1CNC(=O)c1nc2n(c(=O)c1O)CCC2(C)C	ir: 5 9 3 5 4 3 4 4 5 4 3 3 3 4 3 5 5 11 14 12 7 12 12 40 19 10 7 8 5 20 5 8 28 12 9 7 12 18 7 8 9 13 7 20 16 19 23 13 5 4 4 8 14 20 25 8 10 3 5 6 5 5 6 6 7 3 6 7 6 5 7 7 4 3 3 3 4 3 4 3 3 3 4 4 6 5 11 6 16 5 12 6 6 5 7 4 4 5 6 7 6 37 12 5 3 3 3 3 4 4 3 3 4 4 4 3 3 5 11 5 6 6 16 12 5 8 5 4 5 5 4 4 3 3 8 4 3 4 7 7 40 7 9 11 50 100 19 27 11 13 74 29 6 5 4 3 3 3 3 3 4 5 5 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 2 3 3 3 2 3 4 3 2 4 4 6 2 3 4 3 2 5 9 9 8 8 55 13 3 5 8 3 0 32 37 8 7 3 1 4 4 3 4 4 4 4 6 6 8 14 71 23 33 7 6 10 6 3 3 4 3 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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: 92 91 s 1H \| 86 85 t 1H J 58 \| 77 76 dd 1H J 27 121 \| 74 74 ddt 1H J 9 45 81 \| 72 71 m 1H \| 67 67 q 1H J 51 \| 50 50 dd 2H J 9 57 \| 36 35 m 2H \| 29 29 d 3H J 50 \| 20 19 m 2H \| 12 12 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(N2CCC(c3ccccc3)C2)c2cc(OCc3ccccc3)ccc2n1	ir: 1 2 2 1 0 1 2 1 2 2 2 1 2 4 2 1 2 3 1 1 0 1 4 1 1 1 4 1 1 3 8 6 3 2 2 1 1 2 3 9 23 17 8 2 1 2 1 1 2 3 1 0 0 1 1 1 15 18 2 2 3 3 3 7 20 22 4 9 8 15 19 10 3 2 1 2 2 2 3 1 1 1 1 4 7 1 2 2 13 13 7 5 7 3 1 2 4 9 6 2 2 3 5 3 6 4 1 1 2 1 1 1 1 2 1 2 4 1 1 2 2 2 1 2 1 3 2 2 2 2 2 0 4 1 2 14 4 1 2 2 5 5 3 28 33 6 3 4 3 3 3 48 43 2 1 3 15 2 1 4 7 30 2 1 0 0 2 2 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 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 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 2 2 3 3 2 1 3 5 2 4 10 19 19 100 33 16 11 6 2 1 2 3 1 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 d 1H J 89 \| 76 76 d 1H J 27 \| 74 73 m 4H \| 73 72 m 6H \| 71 70 dd 1H J 27 88 \| 69 69 d 1H J 8 \| 51 50 d 2H J 10 \| 40 39 m 1H \| 37 37 m 1H \| 36 35 ddd 1H J 49 68 118 \| 34 34 ddd 1H J 49 69 121 \| 32 31 tt 1H J 34 43 \| 25 24 s 3H \| 23 22 m 1H \| 20 20 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1cn2c(N3CCOCC3)cccc2n1	ir: 17 10 7 6 4 5 6 6 4 9 9 6 4 7 8 34 7 7 12 12 8 5 11 7 4 6 5 6 15 7 7 5 4 12 79 11 13 8 10 7 19 7 6 6 15 6 5 4 5 11 11 2 10 51 49 22 10 12 14 11 7 11 7 12 14 26 30 17 11 9 8 5 38 29 16 15 26 7 7 15 10 7 5 6 6 7 20 11 6 19 11 7 6 9 24 11 19 50 41 14 7 7 7 76 11 6 11 30 5 6 6 11 13 7 8 6 5 6 9 8 6 18 20 24 30 15 15 11 13 10 10 6 7 7 5 5 5 4 4 5 7 27 32 21 7 5 5 5 4 6 6 10 43 11 6 4 4 7 16 18 21 5 5 6 5 0 17 3 4 5 5 4 4 5 4 4 5 5 4 4 5 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 4 4 4 4 4 4 4 4 4 4 4 5 5 4 4 5 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 5 4 4 5 5 5 5 4 5 5 4 5 5 11 5 5 5 6 7 15 8 5 6 9 7 6 9 24 16 11 9 27 71 50 100 22 12 7 8 7 3 6 7 4 4 5 5 5 5 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 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 5 4 4 4 5 4 4 4 5 4 4; 1HNMR: 82 82 s 1H \| 75 75 dd 1H J 61 80 \| 74 74 dd 1H J 14 80 \| 69 69 dd 1H J 14 61 \| 38 37 m 4H \| 35 34 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)OC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)c1c(Cl)cccc1Cl	ir: 17 9 3 4 2 4 5 4 3 3 4 2 5 2 1 1 2 4 1 2 1 4 3 3 3 3 4 5 2 4 2 4 7 4 11 5 8 3 4 10 13 8 4 2 2 2 6 16 3 2 1 2 2 1 4 22 7 3 1 2 2 1 1 1 1 1 3 2 2 2 2 2 1 1 2 1 5 8 6 4 2 4 2 2 1 1 2 3 12 10 3 1 1 1 2 2 2 4 5 1 1 1 1 1 2 2 14 2 2 1 3 2 1 1 2 3 1 3 8 7 11 11 5 7 3 2 3 5 3 4 2 2 1 1 1 1 2 3 1 3 1 2 5 6 9 7 4 8 4 2 2 4 3 3 5 30 100 16 4 1 1 2 3 17 2 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 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 2 1 1 2 2 1 3 2 4 2 3 2 6 4 3 15 10 3 2 2 1 1 1 1 1 1 1 1 1 0 1 2 2 27 11 6 2 3 11 14 11 2 6 3 3 26 32 3 3 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 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 0; 1HNMR: 75 75 dd 1H J 71 92 \| 75 74 dd 2H J 11 82 \| 72 71 d 1H J 90 \| 71 70 dp 2H J 9 75 \| 66 66 m 2H \| 51 50 hept 1H J 58 \| 47 46 dt 1H J 70 90 \| 37 37 s 2H \| 32 31 ddt 1H J 9 70 142 \| 30 29 ddt 1H J 9 70 141 \| 13 12 dd 6H J 36 57	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCC#Cc1cccnc1	ir: 7 8 5 10 7 2 3 1 2 7 6 2 2 5 2 1 0 1 1 1 1 2 2 2 2 34 60 33 17 5 13 11 11 10 5 6 17 8 6 3 3 0 1 1 1 0 0 1 0 0 0 1 1 0 4 3 4 1 2 3 3 10 8 6 4 2 1 2 0 8 15 11 1 1 1 1 1 2 1 2 1 0 1 1 0 0 0 0 0 0 1 1 0 1 5 4 3 1 3 3 3 0 2 2 0 0 1 1 1 3 4 3 6 1 1 2 1 1 2 11 10 28 18 30 3 3 2 4 4 5 5 10 3 1 1 1 1 2 3 3 2 8 12 22 34 7 7 8 8 100 15 4 8 34 10 3 3 9 4 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 2 1 1 1 2 1 1 0 1 1 2 3 8 25 6 6 24 4 2 3 2 1 1 0 0 1 1 1 1 1 0 1 0 0 1 1 1 2 6 7 14 33 11 13 3 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; 1HNMR: 87 86 m 2H \| 79 78 dt 1H J 20 66 \| 74 73 dd 1H J 32 66 \| 61 60 t 1H J 36 \| 42 42 d 2H J 35 \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)N1CC(C)(C)N(N)C(C)(C)C1	ir: 1 1 2 2 3 4 1 3 4 3 1 3 3 3 2 2 5 7 5 7 3 4 3 7 3 3 3 4 6 4 6 12 6 4 4 4 9 11 12 8 9 2 3 3 4 6 2 3 5 3 2 2 1 2 1 1 1 1 3 3 2 1 2 2 1 2 2 2 1 1 1 5 3 1 2 2 6 3 2 1 1 2 10 12 5 5 5 2 2 12 5 17 4 2 1 2 4 3 1 1 1 1 1 2 3 2 2 2 1 2 2 4 1 8 11 2 1 3 2 1 4 2 2 3 1 1 2 2 4 5 4 5 5 3 1 1 2 1 2 1 6 13 10 20 31 9 5 2 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 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 1 0 1 0 1 2 3 1 1 1 1 1 1 1 1 1 1 3 8 15 5 3 1 0 0 0 1 0 0 0 0 0 1 1 1 3 20 12 4 0 0 1 1 0 1 100 96 6 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; 1HNMR: 29 28 p 1H J 55 \| 28 28 s 4H \| 23 23 s 2H \| 13 13 s 11H \| 11 11 d 7H J 57	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cn2cc(-c3ccsc3)ccc2n1	ir: 0 3 5 2 1 5 9 3 0 3 13 16 9 4 5 2 1 4 7 11 9 19 8 5 5 7 4 3 16 9 16 16 3 7 5 3 10 6 7 23 7 30 15 1 2 6 4 2 11 13 37 78 10 6 4 3 5 6 4 2 4 6 3 3 26 21 8 5 8 12 11 13 8 8 5 38 6 9 5 5 5 6 8 4 7 6 2 9 6 4 2 7 10 6 4 29 21 9 3 7 5 8 6 18 49 17 4 3 6 3 0 4 7 10 18 11 10 12 7 5 6 6 3 10 9 7 15 10 12 3 4 49 33 5 4 21 6 6 5 5 5 3 16 8 10 6 3 5 5 4 8 41 6 2 2 5 4 0 2 5 10 9 2 5 3 0 3 4 4 1 17 18 3 0 4 5 2 0 3 5 2 0 3 5 2 1 3 4 2 1 3 4 2 1 3 4 1 1 4 4 1 1 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 0 2 5 3 0 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 1 2 4 3 2 2 4 3 2 3 6 7 4 3 5 5 4 6 5 4 5 4 6 20 22 47 20 77 73 100 21 7 0 4 7 3 1 5 5 3 1 3 5 2 1 3 4 2 1 4 4 1 1 4 4 1 1 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 0 2 5 3 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 1 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; 1HNMR: 85 85 d 1H J 12 \| 83 83 s 1H \| 80 80 dd 1H J 13 86 \| 78 77 d 1H J 86 \| 75 75 t 1H J 17 \| 74 74 dd 1H J 18 49 \| 72 72 dd 1H J 16 49 \| 43 43 q 2H J 64 \| 14 13 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)c(CC(=O)O)c(CBr)n2C(=O)c1ccc(Cl)cc1	ir: 2 3 3 1 3 4 3 4 3 5 4 17 6 15 7 3 8 14 3 22 74 81 16 14 14 6 4 5 4 2 5 11 4 4 3 12 4 5 6 7 14 4 4 1 1 13 6 5 6 3 4 4 5 17 6 41 36 5 1 3 2 1 1 3 4 13 13 14 3 15 2 1 13 3 3 4 6 21 18 13 6 8 3 3 4 5 9 4 3 2 2 6 8 2 2 1 3 2 8 7 8 6 5 1 1 7 13 2 3 5 3 1 1 1 1 1 1 2 5 8 6 8 8 15 2 9 12 9 2 5 3 3 8 3 4 2 2 1 3 9 5 29 9 100 4 3 20 11 12 5 5 20 15 13 6 35 5 2 1 1 0 2 0 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 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 1 0 1 2 2 2 4 6 3 0 1 6 4 6 6 15 23 89 31 1 6 4 3 4 2 2 27 75 19 4 1 1 1 1 1 0 1 1 0 1 0 0 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 m 2H \| 76 76 m 2H \| 72 72 d 1H J 82 \| 70 69 dd 1H J 27 82 \| 69 69 d 1H J 27 \| 47 47 s 2H \| 39 38 s 2H \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCN(C)c1ccc2[nH]c(-c3ccc(N)c(N)c3)nc2c1	ir: 4 4 4 4 1 3 4 2 3 4 9 20 5 3 3 2 2 2 3 2 2 1 1 1 1 1 2 5 7 3 2 1 1 1 1 1 1 4 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 7 22 6 2 1 1 1 1 1 1 1 1 1 1 2 3 3 2 2 1 5 6 1 1 1 1 1 1 1 1 1 5 1 1 1 1 1 0 0 2 1 1 1 1 1 1 2 3 1 1 1 3 1 5 1 1 0 0 0 1 0 0 0 1 0 1 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 1 0 0 1 7 1 0 3 1 1 1 8 1 1 1 7 2 1 13 9 4 2 2 25 4 1 0 1 1 3 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 1 1 1 2 1 4 7 3 1 1 1 0 1 0 0 1 1 1 0 1 1 1 1 1 10 4 4 1 0 2 1 1 6 6 3 9 100 25 5 2 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 76 76 dd 1H J 22 86 \| 75 74 d 1H J 21 \| 74 73 d 1H J 72 \| 70 70 dd 1H J 22 71 \| 70 69 m 2H \| 42 42 s 2H \| 41 41 s 2H \| 36 35 m 5H \| 33 33 s 3H \| 30 30 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(C(=O)O)ccc2c1ncn2C	ir: 6 3 1 7 14 6 1 3 5 3 2 6 7 7 4 4 4 3 3 6 4 7 27 100 83 25 8 8 6 3 2 7 13 17 1 5 4 1 2 5 4 1 2 5 4 1 3 6 3 1 3 6 4 5 9 13 5 0 3 6 3 0 5 7 3 4 7 8 6 3 4 6 3 2 5 6 4 21 32 8 12 7 5 5 2 2 5 6 2 3 6 5 2 2 6 5 3 8 22 20 3 3 8 13 21 3 6 4 1 3 6 3 1 3 5 4 5 7 19 27 3 6 7 4 1 4 6 3 1 7 13 3 2 4 5 6 7 6 5 2 2 6 10 11 30 21 13 4 4 6 5 1 4 5 4 2 3 7 4 1 2 5 4 2 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 5 2 1 4 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 4 1 2 4 3 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 3 5 4 2 3 5 3 2 4 5 4 3 5 12 13 7 17 25 9 7 7 10 3 2 4 6 28 42 5 4 3 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 3 1 3 4 3 1 3 5 3 1 3 5 3 1 3 4 3 1 3 4 3 1 3 4 2 2 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 1 3 4 3 1; 1HNMR: 81 81 s 1H \| 78 78 d 1H J 86 \| 74 74 d 1H J 86 \| 39 39 d 3H J 7 \| 27 27 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)NCCC1(SN=O)C2CC3CC(C2)CC1C3	ir: 3 2 1 2 4 3 3 3 3 1 3 5 3 2 1 2 2 2 2 3 5 2 6 4 11 15 9 8 8 18 23 27 23 37 11 10 12 3 4 3 2 1 1 2 2 0 3 2 3 1 1 3 2 0 1 4 4 3 2 7 2 2 3 5 3 2 4 3 4 7 7 6 3 4 5 6 5 2 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 3 4 3 3 5 7 17 20 10 4 3 2 5 7 8 8 9 12 12 9 10 5 8 4 3 4 4 4 3 2 1 3 3 4 6 7 6 7 21 27 72 100 12 7 6 6 1 1 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 2 4 2 2 3 6 6 3 15 10 11 11 8 13 20 12 3 4 2 1 3 3 2 1 2 2 1 1 1 2 1 1 2 2 2 1 7 15 10 32 17 13 21 12 10 4 4 3 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 2 1 0; 1HNMR: 63 63 t 1H J 52 \| 33 32 q 2H J 53 \| 20 20 s 2H \| 20 19 m 4H \| 18 17 m 6H \| 17 17 t 2H J 52 \| 16 15 dt 4H J 50 130	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(CC(F)(F)F)N(Cc1cccnc1)c1cccc(Oc2ccccc2O)c1	ir: 46 53 13 13 8 33 35 19 9 4 2 11 4 7 3 5 5 5 0 1 1 1 5 3 4 2 5 3 3 2 2 8 2 12 33 3 6 1 2 7 15 10 21 74 14 14 6 12 49 11 11 1 2 3 2 12 7 4 2 1 2 5 11 21 4 2 6 3 10 41 9 11 12 29 16 19 6 55 30 4 11 6 22 54 21 24 42 9 100 50 17 8 4 5 4 5 10 12 26 7 48 16 13 11 10 7 34 17 48 18 10 7 49 3 2 1 3 3 2 2 9 7 8 34 20 16 3 8 2 1 2 1 1 1 2 1 4 10 7 40 14 6 7 18 3 2 2 2 4 9 1 5 17 21 7 28 9 4 15 7 1 4 9 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 1 1 0 0 1 1 0 0 1 1 1 2 25 13 4 3 1 2 2 3 8 10 28 34 100 99 12 11 4 4 2 6 16 14 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 dq 1H J 10 20 \| 85 84 ddd 1H J 15 22 44 \| 78 77 dtt 1H J 9 20 80 \| 73 72 m 2H \| 70 69 m 2H \| 69 69 ddd 1H J 11 21 73 \| 69 68 m 2H \| 66 66 ddd 1H J 11 20 79 \| 65 65 t 1H J 22 \| 63 63 s 1H \| 49 49 t 2H J 9 \| 42 41 q 2H J 130	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(-c2ccccc2)nc1CCc1cncc(N2CCCN2C(=O)OC(C)(C)C)n1	ir: 1 3 2 1 2 2 2 3 3 3 4 4 4 2 2 2 3 2 2 1 1 1 1 0 1 1 1 0 1 2 2 7 8 2 1 2 1 2 2 6 15 40 8 3 4 3 1 2 2 2 4 5 5 3 2 3 4 6 1 4 5 10 12 6 6 1 1 3 3 5 1 2 5 4 6 6 2 3 1 17 4 29 9 4 6 3 5 3 4 4 9 10 6 4 4 1 1 3 1 2 2 5 3 5 13 10 21 28 9 12 31 14 8 8 13 23 17 15 11 17 12 11 9 8 19 13 4 12 15 12 28 11 2 5 3 12 12 6 3 2 3 2 5 4 3 3 8 8 3 2 2 1 5 2 1 1 0 1 0 0 0 0 0 4 1 1 1 0 0 4 0 1 3 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 1 1 1 0 0 2 1 0 1 1 2 2 5 5 11 7 10 11 6 10 6 7 7 16 15 43 70 18 55 100 41 43 8 4 6 2 2 1 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 d 1H J 16 \| 79 79 dt 1H J 8 16 \| 78 78 m 2H \| 75 74 m 2H \| 74 73 m 2H \| 39 38 m 4H \| 37 36 s 3H \| 31 31 m 2H \| 31 30 ddt 2H J 12 64 73 \| 22 21 m 2H \| 15 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(O)ccc(C(=O)c2ccccc2C(=O)O)c1O	ir: 2 1 1 1 2 4 2 3 4 2 2 3 4 6 3 6 8 17 3 13 35 100 66 0 2 7 12 11 8 4 6 8 16 11 2 1 1 2 1 4 2 9 21 17 10 5 6 3 2 2 2 2 2 2 1 3 4 4 3 4 1 2 1 0 2 3 5 2 2 2 3 9 7 4 2 7 22 11 11 10 8 2 4 5 4 7 10 16 3 2 2 4 16 16 11 9 2 2 2 2 2 2 1 1 19 7 8 5 2 1 3 8 6 2 1 1 2 6 4 3 2 3 3 4 2 2 1 1 1 1 1 1 5 5 9 2 3 34 12 3 4 6 84 17 5 2 1 14 4 1 1 6 4 1 12 2 2 1 1 1 5 16 1 1 1 0 1 1 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 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 2 1 2 1 1 1 1 1 1 1 2 1 1 2 2 2 2 2 3 10 53 13 3 8 30 15 9 4 28 85 71 13 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 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: 83 82 s 1H \| 80 80 dd 1H J 17 81 \| 77 77 td 1H J 16 77 \| 77 76 m 2H \| 75 75 dd 1H J 16 78 \| 66 66 d 1H J 90 \| 21 21 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(C)c(Br)c1	ir: 4 11 4 2 5 5 3 2 1 2 2 1 1 2 2 2 3 9 13 9 3 3 2 1 0 2 2 0 0 2 2 2 3 8 6 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 2 21 34 10 1 2 2 1 1 1 2 2 0 1 4 9 11 16 5 3 3 3 4 2 1 3 3 7 10 3 3 2 5 11 3 1 1 2 2 1 4 9 20 4 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 2 5 8 8 9 5 8 18 2 3 3 2 0 3 11 22 5 4 10 3 1 2 3 1 1 1 2 1 1 2 18 16 4 82 100 5 1 3 3 2 10 20 9 3 3 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 0 1 2 1 0 1 2 1 1 1 2 3 1 1 2 2 1 2 2 3 0 2 4 3 25 19 10 18 24 26 10 3 3 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2; 1HNMR: 81 81 d 1H J 21 \| 79 78 dd 1H J 21 81 \| 73 72 dq 1H J 10 82 \| 44 44 q 2H J 64 \| 24 24 d 3H J 9 \| 14 14 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCCCOc1ccc(C(=O)Nc2nnc(-c3ccco3)s2)cc1	ir: 3 1 6 4 2 3 5 3 2 5 5 4 3 3 3 3 4 11 15 5 11 4 2 1 5 13 2 4 14 17 11 4 3 5 7 3 11 12 9 36 80 14 8 3 10 9 9 16 19 12 10 11 8 10 7 14 9 11 4 2 3 3 1 1 2 6 2 4 3 10 10 4 8 16 34 7 8 6 2 7 5 6 5 9 9 7 3 4 7 4 3 5 8 2 3 5 9 5 2 6 3 2 1 3 5 3 3 2 7 5 1 2 2 3 5 2 3 3 1 4 9 16 7 7 12 12 6 4 8 9 4 8 35 33 65 12 41 5 7 5 6 6 46 43 37 31 5 4 6 9 7 20 4 2 4 2 1 2 3 7 1 0 3 16 2 1 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 3 2 3 1 2 1 1 2 3 2 3 8 22 66 100 13 12 8 6 7 7 4 2 5 6 7 6 21 16 31 20 8 10 4 6 14 26 30 28 35 13 5 2 4 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 79 78 m 2H \| 77 76 t 1H J 15 \| 70 69 m 3H \| 68 67 dd 1H J 13 53 \| 40 40 t 2H J 56 \| 32 32 tt 2H J 56 65 \| 22 21 t 2H J 64 \| 20 20 p 2H J 56	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CBr)c1cc(F)c(O)c(F)c1	ir: 5 5 2 1 2 1 3 1 2 2 3 1 1 2 2 2 2 1 1 4 1 1 2 2 3 5 4 8 4 12 6 2 1 1 1 4 3 2 2 3 27 6 7 1 3 3 5 1 1 1 1 2 1 0 6 1 1 0 1 1 1 2 9 6 1 0 3 26 5 13 1 1 1 1 1 4 5 1 1 1 1 1 1 1 3 47 13 49 10 2 2 1 0 0 2 2 9 51 5 1 1 2 7 2 1 2 11 2 1 1 7 2 1 1 1 2 4 2 3 3 4 8 4 3 8 23 30 3 3 2 1 1 1 2 2 1 1 6 13 4 1 4 13 49 2 1 1 1 1 1 1 0 0 1 1 0 3 1 1 0 1 1 3 0 1 1 1 0 1 1 0 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 0 0 0 1 1 1 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 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 3 4 4 2 1 2 1 0 1 2 7 4 8 58 16 6 2 3 2 7 6 100 21 2 3 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 76 75 m 2H \| 61 60 t 1H J 36 \| 47 47 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(cc1C(C)c1ccccc1)OCO2	ir: 1 0 0 1 1 2 3 1 0 1 0 1 4 1 2 3 1 1 1 0 1 0 0 0 0 1 1 1 2 2 6 3 13 13 3 2 2 3 5 8 10 18 5 10 2 0 1 2 1 1 0 1 0 0 0 1 1 0 1 2 4 11 2 3 4 34 18 67 12 12 11 4 4 4 3 6 3 1 3 4 2 1 0 0 1 1 0 0 1 2 7 4 1 3 4 1 1 2 1 3 1 0 1 0 1 0 0 0 1 0 0 1 1 1 0 1 1 1 4 3 2 2 4 1 1 1 1 4 3 6 1 1 1 2 2 15 11 1 1 1 5 4 1 37 19 12 4 2 7 1 1 2 18 17 2 1 1 0 0 2 1 1 1 1 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 1 1 1 0 1 1 1 0 1 1 2 2 3 6 7 9 17 100 30 23 10 1 2 3 1 0 1 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 m 4H \| 72 72 m 1H \| 67 67 d 1H J 9 \| 66 65 s 1H \| 59 59 m 2H \| 44 43 q 1H J 69 \| 38 38 s 2H \| 15 15 d 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=O)OCC=C(C)C=O	ir: 12 7 13 5 11 18 11 4 4 8 6 17 0 8 21 12 5 5 4 3 2 3 5 3 7 5 6 2 3 5 6 19 7 4 5 2 2 4 2 1 2 5 4 20 24 13 7 1 5 5 3 2 3 4 3 8 6 4 5 16 6 5 15 22 10 10 8 21 25 18 19 60 20 6 4 11 11 5 3 2 3 3 2 2 3 3 2 2 3 3 4 3 4 4 5 6 32 21 6 18 26 49 0 4 11 63 15 4 5 5 4 6 6 4 8 21 13 91 8 40 12 42 24 27 7 7 6 3 5 8 4 7 6 3 3 5 4 3 3 2 5 4 8 17 77 2 100 40 18 4 3 4 3 1 2 3 3 1 2 5 17 1 2 4 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 3 3 1 2 3 2 1 2 3 3 3 2 8 7 4 6 5 5 10 6 8 5 11 11 5 16 58 84 25 40 3 10 9 4 1 3 6 2 1 3 3 2 1 2 3 1 1 3 3 2 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 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 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; 1HNMR: 94 93 hept 1H J 11 \| 65 64 tp 1H J 14 51 \| 49 48 dp 2H J 10 51 \| 24 23 q 2H J 80 \| 19 19 p 3H J 10 \| 12 11 t 3H J 80	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)C[C@]1(CNC(=O)OC(C)(C)C)C[C@@H]2CC(CO)=C[C@@H]21	ir: 20 17 12 6 2 10 9 17 6 11 9 21 5 11 12 4 13 7 8 7 3 5 6 5 15 13 40 44 91 30 10 7 5 7 7 6 5 10 7 3 0 3 2 1 1 1 1 2 1 4 3 6 4 1 2 3 3 2 4 5 10 6 8 9 1 1 4 7 5 2 3 1 1 1 1 2 1 1 2 2 1 3 5 3 11 11 13 14 15 14 9 18 44 28 11 16 19 20 10 12 5 2 3 2 1 3 5 6 6 5 5 6 2 1 4 6 2 6 8 21 29 19 8 6 2 3 5 5 14 11 14 8 5 7 8 6 4 3 3 3 3 2 5 15 100 46 12 7 6 51 13 2 2 1 2 0 0 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 1 2 4 4 4 4 3 5 4 2 4 3 7 10 4 14 65 17 20 12 3 2 3 3 9 30 28 21 4 2 2 2 1 1 1 1 1 0 1 1 0 4 4 30 29 10 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 55 55 dp 1H J 12 56 \| 53 52 t 1H J 54 \| 41 40 m 2H \| 36 36 dd 1H J 55 139 \| 34 33 dd 1H J 55 139 \| 30 30 t 1H J 55 \| 29 28 dddq 1H J 10 20 52 62 \| 26 25 dd 1H J 10 179 \| 24 23 m 2H \| 22 21 m 1H \| 19 19 dd 1H J 76 125 \| 17 16 m 2H \| 14 14 d 18H J 16	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1cccnc1	ir: 6 15 12 9 7 6 9 13 5 6 7 4 4 6 8 4 4 5 6 8 32 14 11 32 33 10 10 7 5 6 10 5 5 5 9 19 48 43 29 14 6 6 9 34 21 12 12 3 8 13 7 4 5 7 5 0 18 10 6 4 9 28 13 3 10 9 22 20 6 5 21 5 5 6 12 11 6 8 5 6 7 6 12 13 3 4 7 3 5 5 5 4 5 5 3 4 13 5 6 12 15 6 3 4 5 5 5 27 10 18 11 36 13 22 5 5 5 4 5 5 8 13 8 7 6 5 4 5 6 6 10 21 7 4 3 6 6 9 36 34 36 4 12 14 59 19 32 33 27 7 6 15 20 17 12 19 6 7 8 16 32 43 23 6 5 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 3 3 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 3 3 4 5 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 5 4 3 3 5 4 3 3 5 4 2 4 5 4 3 4 7 5 2 6 13 18 100 32 11 6 7 4 6 4 5 6 4 4 4 5 6 5 4 4 5 5 5 6 8 23 73 22 76 10 12 15 11 10 4 5 4 3 4 4 4 4 4 4 4 3 4 5 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4; 1HNMR: 93 92 t 1H J 18 \| 91 91 d 1H J 14 \| 87 87 ddd 1H J 16 26 45 \| 87 86 dd 1H J 14 45 \| 83 82 m 1H \| 79 79 d 1H J 46 \| 78 78 d 1H J 22 \| 78 78 d 1H J 22 \| 75 74 dd 1H J 48 79	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1cc2ncc(Br)cn2n1)N1CCc2ccc(-c3ccncc3)cc2C1	ir: 3 4 1 7 18 10 5 4 6 3 3 2 3 7 9 5 6 19 25 4 9 59 17 8 6 6 5 7 6 1 3 13 24 16 5 3 4 2 3 2 2 2 4 10 13 7 3 2 4 1 3 16 11 13 16 8 4 5 3 3 2 2 11 23 4 22 11 5 20 14 4 13 35 47 14 15 10 4 3 4 2 3 10 4 2 9 7 5 17 3 4 5 7 12 14 8 13 18 8 4 3 6 28 6 3 3 2 6 4 4 0 58 8 15 12 6 2 8 18 8 16 11 100 20 5 8 18 22 6 3 3 4 3 4 6 3 3 3 4 2 3 12 12 5 5 7 13 13 8 4 59 22 11 23 8 1 4 7 15 5 2 23 10 2 9 3 1 1 1 2 2 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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 2 4 4 2 3 4 4 2 3 12 17 10 24 38 71 30 14 8 7 2 3 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 99 98 d 1H J 13 \| 88 88 d 1H J 13 \| 87 87 m 2H \| 76 76 m 3H \| 75 74 dt 1H J 9 20 \| 72 71 dt 1H J 8 84 \| 69 69 s 1H \| 46 45 d 2H J 10 \| 38 38 t 2H J 49 \| 30 28 qd 2H J 8 48	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCn1cc(-n2c(C)c(Sc3cccc(CC(=O)OCC)n3)c3ccc(Cl)c(F)c32)cn1	ir: 4 3 3 3 5 11 13 10 10 10 7 9 8 12 4 3 5 3 1 4 11 3 2 4 3 3 7 7 8 5 2 4 18 8 4 15 2 2 3 3 3 4 3 5 10 26 47 22 16 4 13 15 11 11 36 19 13 12 6 5 3 2 4 7 12 4 10 17 24 11 5 3 6 13 11 12 5 25 22 7 3 1 6 3 2 3 2 5 6 8 24 24 15 5 6 6 4 11 25 10 10 5 8 11 5 4 4 4 2 4 8 11 9 28 13 9 12 11 16 25 24 15 14 6 24 12 19 17 41 23 7 9 7 3 5 7 34 37 35 4 10 43 8 38 22 15 5 5 5 32 6 3 4 14 100 76 34 8 3 4 5 4 2 1 2 4 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 3 1 2 3 4 3 5 4 4 4 6 30 9 5 5 6 4 4 14 16 33 5 26 75 54 26 41 33 10 4 7 6 3 2 3 3 2 1 3 4 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 78 78 d 1H J 90 \| 77 77 s 1H \| 76 75 dd 1H J 68 75 \| 73 73 q 1H J 8 \| 73 72 dd 1H J 49 89 \| 72 72 dq 1H J 10 75 \| 71 70 dd 1H J 12 69 \| 42 41 q 2H J 66 \| 40 39 td 2H J 9 42 \| 37 36 d 2H J 9 \| 26 25 s 2H \| 19 18 m 2H \| 13 12 m 3H \| 10 10 t 3H J 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]c2nc(Cl)n(Cc3ccccc3)c2c(=O)n1CCCO	ir: 10 5 4 7 10 5 5 5 13 5 9 9 12 7 13 5 2 4 6 6 4 5 4 4 4 4 4 3 3 15 10 10 5 5 4 6 5 4 33 18 9 9 13 3 5 5 4 2 3 6 3 1 3 4 3 1 2 5 2 0 3 3 2 4 5 5 4 1 4 4 3 1 3 4 2 1 6 6 3 3 3 3 1 2 5 5 7 25 7 22 21 14 8 2 3 2 3 6 10 4 6 5 3 3 3 4 7 11 4 10 22 15 5 11 3 7 9 14 8 6 11 12 10 5 5 12 3 4 9 12 1 4 5 3 1 22 6 2 1 3 2 1 5 11 3 3 4 10 100 3 8 14 22 19 5 3 3 1 2 3 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 3 3 3 5 12 5 6 5 4 4 8 4 5 24 20 14 22 77 29 5 5 3 3 6 14 46 9 3 3 2 4 2 2 4 3 2 2 3 3 4 4 27 34 6 4 2 3 2 1 1 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 74 72 m 6H \| 56 56 t 2H J 8 \| 39 39 td 3H J 29 63 \| 37 36 q 2H J 62 \| 19 18 p 2H J 65	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCCC(CNc2ccccc2)C1	ir: 12 18 3 17 14 13 16 13 8 6 26 27 19 8 4 10 5 5 2 4 3 5 2 5 3 1 1 2 3 3 5 2 2 0 0 2 2 2 4 11 44 64 23 9 6 3 2 2 2 3 2 3 4 1 2 1 1 2 3 1 1 3 2 2 1 0 3 14 6 11 3 1 1 1 2 2 1 1 2 5 4 1 1 1 1 1 3 2 0 1 1 2 2 2 1 1 2 1 1 1 1 1 1 3 9 20 9 7 9 3 1 3 8 3 5 4 1 4 8 10 9 16 17 14 18 14 8 12 5 6 4 8 5 6 10 9 7 5 10 2 7 2 2 3 8 25 100 14 4 4 25 87 6 35 4 1 1 1 1 1 6 20 3 1 1 2 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 2 2 2 2 1 2 2 1 2 3 4 4 14 13 12 16 47 13 14 8 2 1 1 2 2 1 0 1 1 1 1 1 1 1 2 2 3 4 23 15 50 49 8 12 12 2 3 4 2 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 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 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; 1HNMR: 72 71 m 2H \| 68 68 tt 1H J 12 70 \| 67 66 m 2H \| 49 49 t 1H J 60 \| 37 36 dd 1H J 45 122 \| 36 35 ddd 1H J 37 65 123 \| 35 33 m 3H \| 32 31 ddd 1H J 50 60 130 \| 21 20 tp 1H J 46 60 \| 19 17 m 2H \| 17 15 m 2H \| 15 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCCNc1nc(Cl)ncc1-c1cccs1	ir: 1 6 3 2 2 3 5 3 2 4 6 2 4 2 3 2 2 1 2 3 2 6 4 8 5 4 1 4 1 2 2 2 5 3 2 5 2 13 15 12 14 3 1 2 2 1 2 4 3 2 1 1 1 1 2 3 1 0 1 1 3 3 1 1 1 1 1 1 2 1 1 8 6 0 1 1 1 1 1 1 4 4 2 3 1 1 2 5 10 6 6 2 1 4 2 3 3 1 1 1 0 1 1 1 0 1 4 2 1 2 11 5 3 1 4 19 15 1 0 1 2 4 7 4 3 2 2 5 1 3 1 1 1 1 1 1 4 2 2 2 1 1 38 1 0 1 1 0 0 1 2 1 100 3 2 2 1 1 7 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 1 2 1 3 15 5 2 6 1 1 1 2 3 11 12 5 2 0 1 1 0 0 1 0 1 1 1 2 1 1 3 8 12 11 1 1 1 1 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 s 1H \| 75 74 dd 1H J 17 49 \| 73 72 m 2H \| 65 64 t 1H J 49 \| 38 38 t 1H J 56 \| 36 35 m 4H \| 18 18 tt 2H J 55 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(N=[N+]=[N-])c1cnc(F)cc1I	ir: 2 2 3 4 3 10 16 8 4 4 3 4 1 3 5 3 3 3 11 14 3 3 5 3 2 2 2 2 3 3 8 3 2 3 4 5 20 4 4 3 2 2 2 1 2 2 2 1 2 2 2 1 6 7 2 2 3 3 2 1 4 2 2 2 5 9 35 6 5 3 2 2 5 6 2 2 2 3 3 2 5 7 8 43 10 8 4 2 4 2 2 4 4 3 8 6 5 5 9 6 3 3 1 2 2 2 1 2 4 16 5 2 2 2 2 3 3 2 1 2 2 2 1 2 3 2 1 5 15 3 1 2 3 7 3 83 5 4 4 1 2 2 4 9 11 3 2 2 2 1 2 27 4 4 3 0 4 8 35 100 7 1 1 4 2 0 1 3 2 0 1 2 1 1 1 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 6 1 2 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 2 2 2 2 4 3 7 4 5 12 7 56 3 17 6 10 3 2 2 2 1 2 2 1 1 2 2 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 79 79 m 1H \| 77 76 d 1H J 121 \| 45 44 qd 1H J 7 81 \| 15 15 d 3H J 82	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)SCC1CN(S(C)(=O)=O)CC1COCc1ccccc1	ir: 19 11 20 13 16 12 15 14 13 8 1 11 3 12 6 7 5 3 2 3 5 5 2 3 3 3 2 6 4 16 23 4 8 3 5 7 5 11 8 64 50 3 7 10 9 5 4 5 2 3 4 3 2 2 3 3 3 3 3 4 3 8 6 13 25 17 80 23 40 15 11 12 9 5 9 14 8 52 55 26 15 23 33 19 16 15 79 37 66 82 100 25 5 17 24 11 7 12 17 15 11 17 11 18 22 16 16 5 6 6 7 3 1 3 5 3 2 10 14 14 15 18 23 12 12 16 11 11 8 5 4 4 3 4 8 32 18 13 49 8 2 8 34 21 7 6 6 3 1 3 3 3 4 4 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 1 0 1 3 1 1 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 1 2 2 0 1 3 2 0 1 2 2 0 1 3 2 0 2 3 1 0 1 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 3 1 1 2 3 6 5 5 3 3 5 4 6 5 5 11 9 11 15 71 66 18 31 24 49 19 10 4 4 4 3 3 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 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0; 1HNMR: 74 73 m 5H \| 45 45 m 2H \| 37 37 m 1H \| 35 34 m 2H \| 34 33 m 1H \| 32 32 m 1H \| 31 30 m 2H \| 29 28 m 1H \| 28 28 s 2H \| 23 23 s 2H \| 22 22 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(Sc2ccccc2)n(C2CC2)c2c(Cl)c(C(C)=O)c(F)cc2c1=O	ir: 7 4 4 3 1 4 3 2 3 4 3 4 4 7 18 6 5 4 3 2 2 5 8 3 2 3 3 1 15 5 9 4 2 4 8 2 3 4 6 20 53 5 9 1 9 12 5 11 15 37 6 3 3 1 1 0 2 1 1 1 1 2 1 3 1 3 5 9 11 11 10 3 6 3 8 5 17 6 2 1 2 2 1 1 8 2 4 10 1 1 1 3 1 1 0 2 13 9 1 11 11 4 1 4 24 4 2 4 3 2 2 2 7 5 1 3 2 7 6 8 10 5 4 1 3 9 2 4 4 3 2 1 11 5 40 5 4 2 2 18 4 9 54 4 2 6 43 1 26 18 98 8 4 2 1 2 2 3 57 1 1 7 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 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 2 2 2 1 2 2 2 2 1 3 19 10 5 17 8 5 100 44 20 6 5 3 3 2 1 2 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 84 83 d 1H J 121 \| 76 75 m 4H \| 75 74 m 1H \| 43 42 q 2H J 71 \| 41 40 p 1H J 60 \| 27 27 s 2H \| 13 12 m 5H \| 11 10 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C1=C(c2cccs2)CCCC1	ir: 2 2 1 1 1 1 1 2 2 4 3 2 6 4 0 3 3 1 2 4 3 2 2 3 2 1 1 1 2 1 1 3 3 1 2 5 14 17 23 47 100 47 8 9 9 3 3 2 3 3 4 5 6 6 4 6 4 3 5 9 8 1 5 6 23 15 5 3 24 32 6 5 2 3 3 3 9 6 16 31 2 1 2 2 1 2 1 2 2 2 3 2 9 10 3 2 1 1 2 2 1 2 9 11 4 2 2 3 2 6 10 7 6 5 10 12 16 53 36 17 9 10 9 5 2 6 14 5 3 9 37 30 7 11 35 23 5 2 2 2 2 1 1 2 2 0 34 26 1 4 49 34 5 3 2 2 1 2 4 7 3 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 2 2 1 2 3 3 6 7 6 8 5 6 4 3 3 8 23 28 34 24 35 31 95 75 16 8 6 3 2 2 1 1 2 1 1 1 2 1 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 73 dd 1H J 17 54 \| 72 71 dd 1H J 16 64 \| 71 70 dd 1H J 53 64 \| 61 60 m 1H \| 27 26 m 2H \| 22 21 m 2H \| 18 16 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C1CCC(C23CCN(CC2)CC3)CC1	ir: 0 0 0 4 7 6 1 0 0 1 0 0 0 0 0 0 0 1 3 0 0 0 0 0 0 1 5 6 1 0 0 0 0 0 0 0 1 4 5 1 1 0 1 1 8 19 21 2 2 1 1 1 1 3 0 3 1 1 2 1 0 0 1 1 0 0 1 5 13 4 1 0 0 1 0 0 0 1 0 5 100 12 2 1 0 0 1 1 0 0 3 2 0 0 1 1 21 16 1 2 3 4 4 7 6 3 3 1 2 1 6 12 7 6 5 4 4 5 3 1 2 2 2 3 5 4 1 2 2 2 2 2 2 0 1 1 0 1 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 1 0 2 3 5 5 5 3 4 2 1 3 2 5 13 8 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 28 27 ddd 3H J 30 49 121 \| 27 26 ddd 3H J 30 49 121 \| 16 15 m 6H \| 15 13 m 9H \| 13 12 dddd 2H J 36 71 114 127	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccccc1C(=O)NN	ir: 3 1 0 1 1 1 0 1 2 1 1 2 2 2 3 1 2 1 0 1 1 1 0 1 2 1 1 2 2 4 8 4 7 0 25 35 10 2 2 10 10 13 9 11 8 1 1 2 2 1 2 2 1 0 1 2 1 1 1 2 2 2 5 5 23 23 32 32 10 8 3 3 4 5 2 1 1 1 1 1 1 1 2 2 2 3 10 18 14 10 3 7 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 3 3 2 1 1 2 3 2 1 2 3 1 1 2 1 1 1 2 2 1 2 1 1 4 45 34 100 37 20 8 3 1 0 2 4 3 33 21 35 2 2 6 15 14 3 3 2 1 1 2 1 1 2 4 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 2 1 2 4 3 5 23 21 21 3 2 2 1 0 1 1 1 0 1 2 4 7 17 13 6 2 2 4 3 10 13 53 17 24 5 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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: 88 87 t 1H J 41 \| 78 77 m 1H \| 74 73 m 3H \| 45 44 d 2H J 42 \| 28 27 q 2H J 75 \| 13 12 t 3H J 75	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1cc(Cl)nc(Cl)c1CO)N1CCCC1	ir: 11 7 4 6 10 7 6 8 23 11 11 22 22 21 9 22 10 11 11 15 12 6 10 16 14 5 5 9 10 10 5 9 7 7 4 8 7 6 8 26 13 4 19 19 12 1 3 6 4 1 3 7 13 2 5 7 4 6 5 7 5 3 8 10 13 6 5 8 25 12 7 8 6 2 4 6 3 2 5 6 3 2 6 6 6 16 10 9 6 6 6 13 23 30 15 79 38 10 16 6 8 6 8 7 3 5 17 10 9 5 9 25 20 9 13 10 19 6 7 4 1 11 13 6 1 5 6 3 2 9 10 22 48 40 7 3 3 5 5 3 2 9 31 25 22 12 100 10 35 9 5 2 3 6 4 1 3 6 6 17 3 6 4 0 3 6 3 1 3 6 3 0 3 6 3 0 3 6 3 1 4 5 2 1 4 5 2 1 4 5 2 1 4 5 2 1 4 5 2 2 4 4 2 2 5 4 1 2 5 4 1 2 5 4 1 2 5 4 1 3 5 4 1 3 5 3 1 3 6 3 1 4 6 4 1 4 6 3 1 4 5 2 1 4 5 2 1 4 5 2 2 4 5 2 2 4 4 2 2 5 4 2 2 5 4 2 3 5 4 1 3 6 4 3 7 7 6 2 4 6 4 1 6 10 16 10 13 19 19 2 13 20 17 58 8 7 4 2 4 5 3 2 4 5 3 2 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 3 1 3 5 3 1 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 5 4 2 3 5 3 1 3 5 3 1 3 5 3 1; 1HNMR: 74 74 s 1H \| 51 51 d 2H J 66 \| 39 38 t 1H J 66 \| 36 35 m 4H \| 20 19 p 4H J 19	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccc(-c2cc(Cl)ccc2O)cc1F)N1CCCC1	ir: 4 3 1 2 4 5 3 2 2 8 2 3 3 1 1 4 2 1 1 3 2 1 2 2 2 1 1 3 2 3 4 3 13 8 3 3 4 3 4 9 7 3 2 2 2 1 1 2 1 1 1 8 4 0 21 14 13 3 2 2 2 3 2 1 2 3 4 6 8 10 3 2 6 3 3 4 5 9 14 31 5 3 19 17 4 2 3 4 2 2 6 5 7 17 10 5 4 1 2 1 3 8 2 2 1 2 4 7 4 10 7 2 1 5 2 3 4 5 2 4 5 2 3 2 3 3 2 2 2 2 11 3 2 2 2 1 1 2 2 3 19 11 3 2 2 3 4 6 8 29 12 5 11 3 2 1 1 2 2 2 1 2 2 11 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 1 2 2 1 1 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 2 2 2 2 2 2 1 1 2 4 7 4 26 38 29 11 8 2 3 4 9 100 8 1 2 3 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 78 dd 1H J 51 97 \| 75 75 d 1H J 26 \| 75 75 dd 1H J 22 97 \| 74 74 dd 1H J 22 121 \| 73 72 dd 1H J 26 90 \| 69 68 d 1H J 90 \| 60 60 s 1H \| 36 35 dd 2H J 18 62 \| 36 36 s 2H \| 20 19 p 4H J 19	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1cc(Nc2cnc(CO)cn2)cc(C(C)(C)C)c1O	ir: 1 3 2 2 2 2 1 2 9 4 1 0 2 2 4 5 3 8 3 11 3 2 7 7 7 5 8 9 7 5 4 1 4 2 1 2 2 3 2 1 5 6 2 3 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 2 1 2 1 2 5 4 2 3 7 12 6 1 0 1 1 1 1 1 3 3 13 26 4 2 4 10 18 6 4 1 12 3 8 6 12 5 1 1 1 1 18 5 1 1 1 0 1 0 1 1 3 3 1 1 1 2 1 0 1 2 1 2 1 1 1 1 1 3 3 1 1 2 1 1 1 6 2 2 2 1 1 2 0 0 1 1 0 17 20 6 1 1 0 0 1 0 0 0 0 1 2 1 1 1 1 2 6 5 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 1 0 0 0 0 1 0 0 0 1 0 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 1 1 1 2 4 3 1 6 6 3 1 4 3 2 5 100 23 9 2 2 1 1 1 2 1 2 2 1 2 1 2 4 5 37 33 5 2 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 91 s 1H \| 82 82 d 1H J 9 \| 79 78 s 1H \| 72 72 s 2H \| 67 66 s 1H \| 47 47 dd 3H J 8 61 \| 33 32 t 1H J 60 \| 14 14 s 17H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2ccccc2cc1-c1csc(N)n1	ir: 3 5 5 5 3 3 2 3 5 4 3 25 0 5 5 3 3 5 4 4 5 5 5 5 5 4 5 5 10 8 7 6 6 9 7 7 11 19 9 13 18 20 83 6 5 8 6 9 9 7 10 6 6 9 5 4 5 10 9 5 7 9 4 4 7 7 15 22 22 7 12 10 7 8 10 22 13 7 5 4 4 4 4 4 5 11 9 5 4 14 6 5 6 5 4 3 5 15 6 4 6 4 2 48 34 25 10 5 3 4 6 7 8 6 4 5 5 6 9 5 6 5 7 6 13 17 6 19 9 6 4 4 3 5 11 8 8 14 16 8 8 8 21 24 17 14 7 6 5 3 10 6 4 5 34 4 3 3 12 36 4 3 3 3 3 2 3 3 3 3 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 3 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 3 3 7 5 3 3 4 3 2 4 4 4 3 4 6 6 9 19 13 29 100 47 8 7 9 7 6 5 6 5 4 3 4 7 6 10 12 14 6 4 3 3 6 3 5 5 3 3 3 3 3 3 3 3 3 3 3 3 4 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 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; 1HNMR: 82 81 d 1H J 21 \| 79 79 m 1H \| 77 77 dt 1H J 24 70 \| 75 74 m 2H \| 73 73 d 1H J 21 \| 71 71 s 1H \| 61 61 s 2H \| 39 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc2c1c(O)c(C(=O)N(C)c1ccccc1)c(=O)n2C	ir: 0 1 1 1 0 1 3 2 1 4 3 2 3 2 4 1 1 1 2 1 1 1 2 2 1 2 6 1 1 2 2 4 5 2 1 2 9 3 2 9 57 12 33 10 8 4 4 4 6 23 100 24 7 2 3 1 2 2 1 1 1 2 1 1 1 2 1 3 2 3 3 1 2 1 1 1 3 4 2 7 3 2 2 2 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 7 6 26 5 3 3 2 12 3 4 11 3 1 1 1 1 1 1 1 1 2 3 2 1 1 1 1 0 1 1 2 2 2 3 3 4 29 6 1 3 2 2 5 4 19 20 8 1 1 1 9 0 21 3 1 1 1 2 10 2 33 4 3 17 4 2 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 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 1 1 1 0 1 1 1 1 1 2 4 4 7 7 4 82 28 67 63 10 4 2 2 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 75 74 m 2H \| 74 73 dd 1H J 73 81 \| 73 73 m 2H \| 72 72 dd 1H J 12 74 \| 71 71 ddt 2H J 13 61 76 \| 38 38 s 3H \| 36 35 s 3H \| 24 24 d 3H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

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