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DeerEyeRain
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train · 715k rows

Output stringlengths 5 127	Input stringlengths 850 1.64k	Instruction stringclasses 1 value
C[C@@H](NCc1cn(CC#N)nn1)C1CCC1	ir: 2 1 1 2 4 4 3 4 2 2 3 3 6 7 4 1 2 1 1 3 7 9 2 2 2 1 1 3 9 4 2 3 3 2 3 8 4 3 3 6 6 12 68 24 9 9 10 7 5 4 1 3 2 2 8 32 7 11 15 9 11 2 12 14 14 17 8 2 4 4 9 18 2 7 3 1 2 1 1 2 1 1 4 5 1 2 1 2 1 2 2 1 1 3 6 5 3 3 5 9 11 4 6 4 4 5 5 10 52 17 11 7 16 10 9 4 11 15 6 12 10 7 5 4 4 8 9 12 13 16 11 9 8 16 19 12 11 8 2 3 3 2 4 2 2 3 2 1 1 1 2 2 1 4 10 9 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 3 15 3 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 8 4 3 3 3 5 4 8 20 14 6 6 4 13 6 4 3 3 2 2 3 2 2 2 2 2 4 4 9 44 100 68 14 6 3 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 78 77 p 1H J 9 \| 49 49 d 2H J 7 \| 42 41 ddd 1H J 9 60 158 \| 41 40 ddd 1H J 9 60 158 \| 30 29 dp 1H J 48 71 \| 26 25 dt 1H J 59 71 \| 17 16 m 5H \| 15 14 m 2H \| 11 11 dd 3H J 12 47	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-n2cc3c(n2)CCCC3)ccc1C(CCC(F)(F)F)Nc1ccc(C(=O)O)cc1	ir: 2 5 1 3 9 4 4 19 7 9 13 20 7 13 7 8 7 13 8 3 3 11 100 47 9 3 1 3 5 3 1 4 3 12 3 3 2 2 3 2 1 1 2 5 2 4 3 2 2 4 5 2 4 10 25 86 16 3 4 4 2 3 5 11 9 7 4 2 4 7 7 6 3 2 8 7 5 7 12 91 4 2 3 2 1 1 5 3 9 10 3 6 6 3 3 3 10 3 1 3 16 21 2 3 18 18 18 8 6 6 4 3 11 5 11 23 16 8 9 5 6 5 9 9 12 5 6 3 9 6 6 5 10 5 4 6 4 9 77 15 10 7 17 24 4 4 2 2 2 4 3 28 21 14 10 2 2 3 2 0 1 2 1 3 12 5 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 2 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 2 1 2 2 4 5 3 2 2 3 2 3 2 6 10 9 19 55 27 12 14 14 4 4 3 0 13 42 8 4 2 0 2 2 1 2 2 2 2 5 9 8 34 25 18 6 4 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 2 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; 1HNMR: 79 78 m 2H \| 77 76 dd 1H J 22 86 \| 76 76 dd 1H J 7 22 \| 75 74 t 1H J 8 \| 73 73 dd 1H J 7 87 \| 66 66 m 2H \| 57 56 d 1H J 75 \| 47 46 dt 1H J 79 86 \| 28 27 dddt 4H J 12 28 55 73 \| 27 24 m 2H \| 23 23 s 2H \| 21 19 dtdd 1H J 22 82 106 128 \| 19 18 m 4H \| 18 17 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CNc2nc(-n3cccn3)nc3sc(C)c(Cl)c23)cc1OC	ir: 13 11 8 21 21 23 11 16 15 18 9 7 9 12 30 15 21 13 8 9 6 9 6 7 7 9 7 6 7 7 7 6 7 8 6 6 8 9 11 16 70 46 20 62 42 21 11 6 6 7 6 12 9 9 13 6 10 13 6 6 7 8 11 6 11 10 9 9 21 7 6 5 6 7 5 6 6 7 5 6 6 7 13 8 5 6 7 10 9 8 10 9 12 12 6 5 6 6 4 7 10 6 9 11 8 6 4 5 6 5 4 5 27 6 4 6 13 13 9 22 12 9 7 12 50 27 8 10 24 7 7 6 6 5 10 13 14 16 10 35 23 12 75 34 9 6 6 10 7 21 100 25 11 46 6 50 10 23 10 0 4 9 7 2 5 8 5 3 5 7 5 3 5 6 5 4 5 6 5 4 5 6 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 5 5 5 5 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 5 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 6 5 6 6 6 6 7 7 10 8 11 10 27 19 16 35 16 18 10 6 6 6 5 5 5 5 7 7 8 6 6 7 6 8 8 10 27 43 55 14 10 6 10 9 7 9 5 6 6 6 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 79 79 d 1H J 47 \| 78 78 d 1H J 17 \| 70 70 t 1H J 53 \| 70 69 m 2H \| 69 68 d 1H J 84 \| 67 66 dd 1H J 18 48 \| 48 48 dt 2H J 9 55 \| 39 38 d 6H J 22 \| 24 23 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(C(C)C)[nH]n1	ir: 8 7 2 6 20 18 22 35 12 53 44 30 31 28 14 7 10 5 4 5 6 4 4 5 5 5 8 10 8 6 4 6 6 6 14 7 6 3 4 5 5 3 4 6 5 7 9 43 32 18 44 23 7 2 5 7 10 8 5 6 4 5 13 10 5 3 5 7 4 5 8 7 22 9 28 40 6 6 7 6 5 4 6 6 8 11 10 14 5 3 4 4 4 5 7 10 15 7 2 8 100 72 30 12 0 9 10 10 5 6 8 5 2 5 16 20 16 11 11 9 6 14 10 9 6 9 10 12 35 21 28 24 5 11 7 4 3 5 5 3 3 5 5 3 3 6 5 5 9 6 8 10 9 9 5 2 3 9 16 15 11 6 4 2 3 5 4 2 4 6 4 2 4 6 4 2 4 6 3 2 4 5 3 2 4 5 3 2 4 5 3 3 4 5 3 3 5 5 3 3 5 5 3 3 5 4 3 3 5 4 2 3 5 4 2 3 5 4 2 4 5 4 2 4 5 4 2 4 5 4 2 4 5 4 2 4 5 4 2 4 5 3 2 4 5 3 3 4 5 3 3 4 5 3 3 5 5 3 3 5 4 3 3 5 4 3 4 6 5 5 6 6 6 3 4 5 5 3 5 7 7 5 9 21 28 9 8 15 15 26 15 24 12 6 5 5 4 3 5 5 4 3 4 5 4 3 5 5 4 3 7 8 12 26 17 17 9 7 8 8 3 3 5 5 3 3 5 4 3 3 5 4 2 3 5 4 2 4 5 4 2 4 5 4 2 4 5 4 2 4 5 3 2 4 5 3 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 5 4 3 3 5 4 3 3 5 4 3 3 5 4 2 4 5 4 2; 1HNMR: 66 66 d 1H J 9 \| 44 44 q 2H J 64 \| 32 31 heptd 1H J 10 61 \| 14 13 m 10H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cccnc1Nc1ccc(C(=O)C(C)C)cc1	ir: 5 5 5 3 2 2 2 1 2 5 11 2 0 1 2 2 0 2 3 1 3 2 2 1 1 2 3 4 3 7 7 0 1 3 3 0 0 7 7 5 45 31 100 16 37 8 6 5 2 2 2 3 3 2 3 5 3 36 6 8 4 28 8 3 2 5 1 1 1 1 2 1 1 1 1 5 1 3 2 2 3 3 1 1 1 1 1 3 2 2 3 2 1 1 1 1 1 1 2 3 2 1 2 1 2 3 6 7 6 3 3 1 2 2 2 4 12 6 5 7 3 2 4 4 2 1 2 3 2 2 2 7 2 1 1 2 2 3 9 6 15 16 9 6 8 3 19 3 3 4 3 3 7 16 4 4 5 25 27 24 6 2 2 2 6 11 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 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 2 1 1 2 4 2 4 5 6 9 24 21 13 6 2 2 2 1 1 1 2 2 0 1 1 1 1 2 4 3 1 3 5 12 8 56 19 5 3 3 6 2 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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: 84 84 dd 1H J 20 46 \| 81 81 dd 1H J 20 81 \| 79 78 m 2H \| 75 75 m 2H \| 70 70 dd 1H J 46 79 \| 39 39 s 3H \| 35 34 p 1H J 70 \| 12 11 d 6H J 69	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=P(c1ccccc1)(c1ccccc1)c1ccccc1C1OCCO1	ir: 0 1 2 1 2 1 2 2 3 5 2 4 0 3 13 20 12 2 2 3 2 1 2 2 2 20 3 1 1 7 18 2 5 3 2 3 2 4 3 6 49 13 13 6 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 3 7 3 1 1 2 1 2 13 6 2 4 30 6 9 2 2 1 3 4 1 2 2 9 5 20 100 4 12 4 14 3 2 1 1 1 1 2 6 19 2 4 5 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 2 9 11 6 4 2 1 1 2 2 1 1 2 1 1 4 21 5 6 1 1 2 3 14 52 7 4 2 1 1 7 2 2 1 1 1 2 1 1 2 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 3 3 15 8 93 24 18 2 1 2 2 1 2 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 78 78 dd 1H J 14 72 \| 78 77 m 5H \| 77 76 m 1H \| 76 75 m 7H \| 60 59 s 1H \| 41 40 m 2H \| 40 39 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(-c2cc(Cn3cc4c(=O)n(-c5ccccc5F)nc-4c4ccccc43)ccn2)cn1	ir: 3 3 2 3 5 7 3 3 2 2 1 1 2 2 2 4 4 3 1 1 1 1 1 3 1 2 3 5 3 2 2 2 2 6 3 2 1 2 2 2 1 4 30 16 5 10 18 5 1 3 1 1 1 1 1 1 1 2 2 1 1 2 2 3 10 4 2 3 7 4 2 2 6 4 5 1 3 2 2 1 1 2 3 2 3 6 3 1 1 2 5 19 8 14 1 1 2 2 0 1 1 2 4 2 2 2 1 1 1 1 1 1 2 2 1 1 1 2 5 3 3 4 4 2 5 1 2 1 2 3 2 3 7 4 2 11 2 17 4 4 12 17 3 9 3 1 2 14 12 3 9 4 4 1 2 4 10 5 3 2 2 3 5 14 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 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 2 4 7 16 100 23 22 16 12 6 3 2 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 86 85 d 1H J 44 \| 82 81 s 1H \| 81 81 dd 1H J 13 88 \| 78 77 m 2H \| 76 76 d 2H J 9 \| 75 74 m 1H \| 74 72 m 5H \| 70 70 dd 1H J 15 73 \| 54 54 q 2H J 9 \| 39 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(=CN(C)C)C(=O)c1ncc(Cl)cc1Cl	ir: 10 9 16 14 19 31 30 6 15 4 2 3 4 3 3 8 11 19 11 6 46 22 17 5 3 3 11 5 3 2 1 48 31 6 15 19 42 68 80 100 34 15 20 29 75 18 6 4 2 0 3 7 15 10 4 3 3 4 10 29 12 8 5 22 32 92 76 18 5 3 4 6 9 8 13 7 7 2 3 3 6 17 7 1 15 30 12 6 5 8 81 77 34 6 3 6 8 10 21 4 4 6 4 2 6 12 28 57 51 8 26 41 16 5 17 12 6 7 3 24 1 3 2 7 8 6 4 16 42 18 68 65 7 6 4 2 2 2 2 3 2 2 6 9 23 35 9 3 10 74 86 19 52 8 3 1 3 7 5 1 1 9 13 4 1 1 1 0 0 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 6 5 1 1 2 1 2 1 2 2 3 6 6 26 7 14 16 35 19 7 5 2 3 3 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0; 1HNMR: 86 86 d 1H J 18 \| 86 86 hept 1H J 10 \| 80 79 d 1H J 18 \| 43 43 q 2H J 71 \| 27 27 d 6H J 11 \| 13 12 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(Cc1ccc(OCCN2c3ccccc3Sc3ccccc32)cc1)C(=O)O	ir: 1 1 2 1 2 3 4 5 4 4 8 8 10 3 5 9 11 19 17 14 46 31 47 17 5 1 2 2 2 2 2 2 2 1 2 2 4 4 11 4 4 7 13 18 4 0 2 1 2 2 3 2 5 4 6 26 6 5 3 5 2 1 3 4 1 1 2 2 3 8 8 4 4 12 16 17 23 8 36 25 8 5 4 4 9 11 8 7 5 2 1 1 2 1 2 3 7 10 8 3 2 2 5 2 3 2 1 2 2 2 2 2 5 3 2 3 5 5 14 7 3 4 3 3 6 5 3 2 3 1 2 2 3 2 2 2 10 8 1 2 2 4 2 9 12 58 5 42 34 21 6 2 6 2 2 1 1 2 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 3 3 2 3 3 1 2 2 2 3 4 9 11 29 100 30 5 6 3 2 3 1 5 24 52 32 4 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 94 94 s 1H \| 73 72 ddd 2H J 18 68 78 \| 72 71 m 4H \| 71 71 dt 2H J 13 68 \| 70 70 td 2H J 14 75 \| 68 68 m 2H \| 43 42 t 2H J 61 \| 41 41 t 1H J 64 \| 40 40 t 2H J 61 \| 38 37 dq 1H J 64 114 \| 36 36 dq 1H J 64 115 \| 31 30 ddt 1H J 9 64 141 \| 29 28 ddt 1H J 9 64 141 \| 12 12 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1ccc(-c2cc[nH]c(=O)c2)cc1	ir: 1 1 1 2 1 1 2 2 6 4 3 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 2 1 4 12 100 75 10 4 0 1 2 3 2 2 4 5 3 9 3 2 1 1 1 1 1 1 2 5 5 4 4 3 2 1 1 2 2 2 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 2 2 1 2 3 2 1 1 1 1 1 1 2 2 1 2 1 1 1 1 1 1 1 1 4 11 5 3 4 5 1 1 2 2 2 2 3 1 8 8 2 1 1 3 14 8 2 3 5 4 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 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 7 8 10 5 8 2 3 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 4 11 8 3 4 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; 1HNMR: 78 78 dd 1H J 64 70 \| 76 75 m 2H \| 74 73 m 2H \| 69 69 d 1H J 13 \| 68 68 dd 1H J 13 71 \| 25 25 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1=C(O)c2cc(Br)ccc2C(C)(C)C1=O	ir: 4 5 9 13 8 7 7 13 11 10 5 6 7 6 6 4 7 14 6 4 4 12 8 6 14 12 18 56 20 19 32 18 38 32 35 18 13 5 7 14 5 3 4 5 5 2 3 9 6 0 8 52 88 55 10 6 6 12 14 14 11 6 5 7 16 25 7 20 8 5 4 4 6 8 7 13 12 5 4 21 8 5 4 7 7 5 5 5 7 11 7 5 10 7 12 38 22 23 57 78 34 10 7 5 10 15 7 7 12 10 7 5 6 5 5 8 5 6 7 7 8 13 12 5 5 5 4 5 6 8 9 7 4 45 8 5 5 5 6 9 5 8 5 4 4 6 39 7 5 9 10 26 7 6 24 17 7 22 100 12 6 4 4 4 62 3 4 4 3 2 3 4 3 2 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 4 3 3 3 3 3 3 4 4 3 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 6 5 4 4 3 3 4 4 4 3 4 8 7 6 17 19 16 29 68 26 44 84 85 12 6 9 4 3 4 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 79 78 d 1H J 24 \| 77 76 dd 1H J 26 81 \| 74 74 d 1H J 81 \| 43 42 q 2H J 71 \| 16 15 s 6H \| 13 12 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1ccc(-c2cccnc2Cl)nc1	ir: 0 8 5 4 2 5 8 9 3 4 9 2 2 3 7 3 3 5 7 3 6 4 2 3 3 3 2 2 8 3 3 3 3 3 4 6 7 4 2 5 4 0 3 4 3 1 1 2 2 2 2 1 3 7 12 13 4 3 2 1 2 9 10 8 2 5 9 15 5 8 3 6 3 3 3 2 3 3 2 1 1 3 15 4 3 1 2 1 2 2 2 2 1 1 2 4 3 5 3 13 23 9 7 6 7 3 7 6 7 2 2 2 5 2 2 3 5 3 3 5 7 6 11 22 10 25 21 7 7 4 2 3 1 12 2 2 2 5 16 8 1 4 5 3 100 8 2 5 13 4 1 2 3 6 19 5 7 1 1 2 4 14 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 3 3 3 1 5 6 4 6 7 5 3 8 5 8 15 15 9 10 19 7 2 2 2 3 2 1 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 85 84 dd 1H J 21 41 \| 83 82 d 1H J 19 \| 81 80 dd 1H J 20 84 \| 79 78 d 1H J 86 \| 75 74 dd 1H J 41 85 \| 73 72 dd 1H J 20 86 \| 55 54 dd 1H J 26 63 \| 54 54 m 1H \| 53 52 ddt 1H J 26 54 68 \| 52 51 ddd 1H J 27 68 81 \| 34 33 dd 1H J 27 137 \| 31 30 dd 1H J 55 139 \| 21 20 d 6H J 42 \| 20 20 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCn1nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(Cc2ccc(CC)cc2)c1C	ir: 4 4 4 7 5 5 10 10 17 17 9 8 10 27 23 7 7 3 1 4 2 2 5 3 2 2 3 8 27 15 15 8 4 9 4 2 3 2 2 2 2 1 1 8 1 2 1 0 3 2 1 2 3 7 6 2 3 3 2 3 2 1 2 1 1 2 0 6 3 6 2 3 1 1 1 1 4 7 3 2 2 5 4 1 3 4 3 3 5 31 100 69 13 4 10 8 22 33 7 11 4 4 2 6 1 3 2 4 1 1 1 1 1 1 1 1 1 2 6 5 1 2 2 4 2 2 1 2 1 1 0 1 2 3 3 3 4 3 2 1 1 1 1 0 0 3 12 4 4 5 5 3 2 1 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 1 1 1 1 2 2 3 4 4 3 4 6 8 3 12 7 4 5 8 37 29 41 85 31 5 3 1 1 1 1 1 1 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 dt 2H J 9 79 \| 71 70 dq 2H J 9 79 \| 59 58 ddt 1H J 51 112 164 \| 56 56 dt 1H J 25 81 \| 53 53 dq 1H J 13 168 \| 53 52 dq 1H J 15 112 \| 49 48 d 1H J 57 \| 47 46 dd 2H J 31 64 \| 43 43 dt 2H J 14 51 \| 40 39 m 2H \| 40 39 s 2H \| 39 37 m 2H \| 37 36 t 1H J 45 \| 36 35 m 2H \| 27 26 qt 2H J 9 73 \| 23 22 s 2H \| 13 12 t 3H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CCN(C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)CC1	ir: 2 2 3 3 7 12 5 2 2 20 0 4 2 7 4 7 4 1 0 1 1 1 1 2 1 0 0 1 2 0 1 11 3 3 0 9 100 3 3 3 10 5 2 8 2 2 2 1 1 1 1 1 2 1 2 7 1 1 2 1 5 1 15 10 4 7 16 1 2 4 3 5 3 2 2 2 2 2 8 51 6 5 2 4 23 2 13 12 12 16 2 3 3 1 3 2 1 1 4 11 8 2 5 20 2 1 0 1 2 4 2 2 2 1 2 2 2 3 2 2 2 1 1 2 5 20 5 4 2 3 3 1 2 1 2 2 6 9 5 2 2 8 19 27 2 1 1 1 1 1 1 4 1 3 16 22 5 3 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 3 2 2 2 4 13 5 6 6 13 9 4 3 1 0 1 1 1 0 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 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; 1HNMR: 85 85 dd 1H J 20 40 \| 81 81 dd 1H J 21 85 \| 75 74 dd 1H J 40 86 \| 34 33 ddd 2H J 62 88 126 \| 33 32 ddd 2H J 62 90 128 \| 29 28 m 2H \| 26 26 m 2H \| 25 25 p 1H J 54 \| 20 19 dddd 2H J 55 62 90 108 \| 18 16 m 5H \| 14 13 m 2H \| 11 10 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC[C@@H]1CC[C@H](N)CC1	ir: 0 1 2 3 2 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 0 1 2 1 1 2 1 1 1 2 1 1 2 3 2 2 2 3 3 5 10 17 37 16 22 35 100 69 39 71 7 8 4 10 8 4 3 3 3 4 5 17 73 33 24 62 8 16 28 12 3 8 20 5 1 2 1 1 2 2 2 2 4 2 4 3 2 1 2 1 1 2 2 4 5 7 9 7 10 6 3 4 5 3 4 9 3 7 7 8 11 14 4 20 35 19 31 26 35 24 22 53 67 23 33 38 8 6 3 0 0 2 2 1 0 2 2 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 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 2 2 2 2 1 7 3 5 4 2 3 1 6 12 4 5 7 1 1 1 1 1 1 1 2 2 2 4 26 40 29 15 16 31 34 31 8 35 47 22 19 37 22 1 2 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 31 30 dddd 1H J 28 36 57 120 \| 17 16 dddd 2H J 28 55 84 139 \| 15 14 ddt 2H J 56 80 138 \| 14 13 m 5H \| 13 12 m 6H \| 9 9 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(=O)cc(-c3ccccc3Cl)oc2c1	ir: 0 1 0 1 1 3 2 3 0 1 2 1 2 2 1 1 1 0 1 0 1 1 0 1 2 2 1 3 2 2 0 1 1 0 0 1 5 2 2 4 2 1 29 26 1 1 1 0 0 1 0 0 1 1 17 19 3 3 3 2 1 1 2 4 7 44 21 9 7 2 1 1 1 3 1 2 1 1 0 1 1 2 1 0 1 1 0 2 5 1 0 1 1 1 1 1 5 1 0 1 0 0 0 0 1 1 2 2 1 1 1 1 1 1 0 1 1 1 1 4 3 1 1 1 2 1 0 1 3 15 14 2 11 4 1 1 3 2 2 1 5 5 0 0 0 1 1 16 11 2 9 1 2 10 1 1 1 4 3 1 0 25 65 4 1 0 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 1 1 1 1 1 3 4 8 100 30 20 5 2 1 1 1 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 m 1H \| 80 79 ddd 2H J 17 79 153 \| 78 77 td 1H J 16 77 \| 77 77 td 1H J 16 76 \| 70 69 m 2H \| 68 68 s 1H \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)C(=O)CN1C(=O)c2ccccc2C1=O	ir: 8 4 1 6 4 3 1 7 6 3 4 7 11 3 1 3 5 4 3 3 3 2 2 4 3 4 3 4 4 2 2 3 3 5 9 15 100 22 33 20 22 28 29 12 5 2 3 6 6 5 4 11 6 9 5 8 3 0 3 6 3 1 7 14 3 1 3 5 2 3 7 4 2 1 3 5 2 1 4 4 6 3 4 5 2 1 3 3 2 2 4 3 1 1 5 5 2 3 4 3 1 2 4 3 1 3 4 3 1 2 4 3 1 4 6 4 4 13 16 21 18 20 50 18 16 5 5 16 10 8 12 7 57 14 13 14 8 12 33 5 2 15 34 5 2 5 4 1 3 5 3 1 4 8 51 9 27 5 3 4 4 4 3 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 3 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 4 2 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 4 3 1 3 5 4 2 4 6 6 2 3 6 4 5 6 12 9 7 19 30 17 6 3 5 4 0 3 4 2 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 79 78 dd 2H J 31 50 \| 77 77 dd 2H J 32 50 \| 46 45 s 2H \| 12 11 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2ccc(S(=O)(=O)NCCCCCO)cc2)cc1	ir: 9 6 4 2 2 6 9 2 1 3 5 1 19 25 10 14 13 5 3 2 1 3 2 1 1 2 2 1 1 2 2 2 1 2 3 0 4 4 6 6 7 3 4 7 13 15 5 4 3 2 5 8 16 100 22 61 16 18 5 5 9 6 3 8 14 21 15 28 19 26 14 6 10 24 4 2 2 2 5 4 5 5 6 7 92 24 9 20 61 41 24 9 4 6 12 8 6 4 7 10 12 15 6 41 91 36 48 13 13 9 6 10 6 8 4 5 4 5 9 4 12 6 3 12 12 5 5 4 4 1 1 2 5 3 1 6 3 2 2 1 2 1 1 8 63 8 4 3 5 3 2 1 5 1 1 2 1 1 1 2 2 1 1 1 2 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 3 2 1 3 3 6 5 7 4 3 4 6 5 4 4 17 8 18 40 24 7 4 12 12 9 45 57 22 13 6 5 5 1 4 4 5 8 4 15 55 35 35 11 4 2 3 2 1 3 2 2 2 1 2 1 1 1 1 1 0 1 1 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 79 78 m 4H \| 75 75 m 2H \| 73 72 m 2H \| 58 58 m 1H \| 36 35 q 2H J 58 \| 29 28 m 2H \| 26 26 t 1H J 58 \| 24 24 d 3H J 8 \| 16 14 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)c1cccc(Cl)c1Nc1nc(Cl)ncc1Cl	ir: 1 1 1 2 2 1 1 1 2 2 2 2 2 2 6 2 5 3 2 4 3 9 9 8 5 2 3 2 2 4 2 1 2 5 12 10 14 49 4 5 12 15 43 39 34 23 14 20 7 1 9 4 6 2 5 2 1 1 1 2 3 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 3 1 1 1 3 1 1 1 1 1 4 1 1 1 1 1 1 1 1 9 6 1 1 4 0 1 1 1 0 1 4 2 2 1 1 1 1 2 1 5 5 12 14 14 8 2 2 2 3 16 2 2 2 2 7 4 3 22 8 6 41 11 23 8 49 3 17 6 5 3 19 24 12 52 11 3 100 7 61 3 2 2 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 2 2 2 4 9 15 5 5 1 1 1 1 1 1 1 1 1 1 1 4 3 2 3 3 10 5 11 7 28 91 60 27 5 4 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 90 90 s 1H \| 85 85 s 1H \| 78 77 dd 1H J 15 84 \| 75 75 dd 1H J 15 83 \| 74 73 t 1H J 83 \| 67 67 q 1H J 51 \| 29 29 d 3H J 51	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2cc([C@@H](C)N[S@@](=O)C(C)(C)C)cc(F)c2n1S(=O)(=O)c1ccccc1	ir: 2 2 2 2 5 4 3 2 3 11 17 7 5 9 0 7 8 7 8 8 4 4 3 3 4 6 6 7 3 14 23 33 21 6 5 3 14 18 11 8 22 14 18 7 3 4 16 5 8 2 6 2 8 5 4 3 2 1 2 4 4 7 12 8 16 15 8 20 18 18 11 5 5 3 4 8 4 9 3 6 2 1 3 5 100 45 8 4 2 2 1 2 19 3 3 3 2 3 7 8 4 16 16 20 8 14 4 6 2 4 4 2 10 3 2 14 7 16 9 7 8 9 5 6 6 5 8 7 4 6 11 4 6 5 15 7 4 2 2 1 2 7 9 35 3 2 2 2 2 1 1 2 2 1 1 1 1 3 2 1 1 1 4 3 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 1 1 1 1 2 2 4 3 3 5 11 14 6 11 28 23 33 4 1 2 2 2 2 2 1 1 1 1 1 1 2 2 1 16 45 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; 1HNMR: 78 77 m 2H \| 77 76 ddt 1H J 15 72 88 \| 75 74 m 3H \| 72 72 ddd 1H J 7 22 121 \| 65 64 d 1H J 23 \| 45 44 m 1H \| 33 33 d 1H J 79 \| 25 25 s 3H \| 17 17 d 3H J 57 \| 12 12 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc(Cl)cc2c1cnn2C1CCCC1	ir: 4 3 2 2 2 2 2 2 2 3 3 3 4 5 3 5 3 5 2 3 4 7 11 14 3 3 3 3 3 3 2 2 3 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 3 2 2 2 2 3 3 3 2 2 2 3 2 3 2 3 3 3 5 3 3 3 2 2 3 3 3 3 2 3 9 8 4 3 2 2 2 3 2 2 3 3 3 3 3 2 2 2 2 3 2 3 3 3 3 3 2 2 2 3 2 3 3 3 3 4 4 4 3 3 3 3 4 3 5 3 3 2 2 2 3 2 2 2 2 3 3 3 2 2 2 2 2 2 2 3 3 6 4 11 3 3 2 2 2 2 3 2 2 2 2 3 2 2 3 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 3 2 3 3 3 2 3 3 4 2 3 5 4 2 3 4 2 0 3 7 20 100 3 0 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 85 85 s 1H \| 79 79 d 1H J 22 \| 78 77 d 1H J 22 \| 53 53 p 1H J 26 \| 22 21 m 2H \| 20 19 m 4H \| 18 17 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CN(c2ccc3ncc(=O)[nH]c3c2)[C@H](c2ccccc2)CO1	ir: 21 21 22 22 21 33 43 37 30 22 21 22 27 33 27 25 21 29 100 77 42 23 17 26 31 47 24 26 29 22 29 33 36 22 57 26 22 22 27 25 28 82 32 27 23 20 21 24 21 20 22 29 23 23 26 46 27 26 26 23 40 22 22 22 21 25 31 33 69 78 39 24 40 23 22 25 23 22 25 23 23 27 73 24 22 24 36 23 26 23 45 23 21 23 26 25 58 28 36 26 24 22 21 22 22 23 31 28 24 22 22 21 22 22 25 23 27 38 23 25 35 27 23 30 25 22 24 24 28 47 26 23 23 23 23 57 27 22 21 22 22 27 55 56 36 24 23 23 22 31 30 63 25 27 27 23 22 21 21 22 40 23 22 25 22 0 94 17 21 23 21 19 21 22 21 20 21 22 21 20 21 21 21 20 21 21 20 20 21 21 20 20 21 21 20 20 21 21 20 20 21 21 20 20 21 21 20 20 21 21 20 21 21 21 20 20 21 21 20 21 21 21 20 21 21 21 20 21 21 21 20 21 21 21 20 21 21 21 20 21 21 21 20 21 21 21 20 21 21 21 21 21 21 21 20 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 22 21 21 21 22 23 22 21 21 23 24 24 24 25 48 38 41 76 100 26 24 23 23 21 22 22 21 21 21 21 21 21 21 21 21 21 22 22 23 32 61 64 49 40 30 24 22 22 21 21 21 21 21 21 21 20 21 21 20 21 21 21 20 21 21 21 20 21 21 21 20 21 21 21 20 21 21 21 20 21 21 21 20 21 21 21 20 21 21 21 20 21 21 20 20 21 21 20 20 21 21 20 21 21 21 21 21 21 21 20 20 21 21 20 21 21 21 20 21 21 21 20 21 21 21 20 21 21 21 20; 1HNMR: 82 81 s 1H \| 73 72 m 2H \| 73 73 s 4H \| 72 72 d 1H J 77 \| 68 68 d 1H J 22 \| 67 67 dd 1H J 22 77 \| 47 46 dd 1H J 31 57 \| 40 39 m 2H \| 38 38 dd 1H J 58 107 \| 35 34 dd 1H J 16 120 \| 32 32 dd 1H J 42 121 \| 13 12 d 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1c2ccc(Br)cc2CCN1C(=O)c1cc2ncc(Br)cn2n1	ir: 1 1 1 1 2 5 1 1 2 1 2 1 3 3 1 1 1 1 1 3 9 10 2 2 1 2 3 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 3 3 6 2 1 1 2 6 4 1 1 1 1 1 1 1 2 3 4 2 2 4 2 3 6 3 8 6 6 1 1 1 1 1 1 1 1 5 1 3 4 1 1 1 1 1 2 1 2 3 5 1 1 1 4 6 1 2 1 1 1 1 1 2 1 1 2 1 1 1 1 3 1 2 4 7 3 5 2 1 1 8 2 2 2 1 1 1 1 1 1 1 1 1 1 5 0 2 2 1 1 1 3 2 1 100 2 1 0 7 0 1 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 2 3 9 5 3 4 8 3 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 99 98 d 1H J 13 \| 88 88 d 1H J 13 \| 73 73 dd 1H J 24 86 \| 71 70 dt 1H J 9 20 \| 70 69 s 1H \| 68 67 d 1H J 86 \| 41 40 t 2H J 45 \| 34 34 s 2H \| 31 30 tdd 2H J 9 35 44	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)S(=O)(=O)c1ccn2c(Cl)nnc2c1	ir: 4 3 3 3 2 3 4 3 6 5 12 29 23 13 4 6 19 20 7 4 11 5 49 5 3 2 2 4 3 3 36 12 3 3 5 27 9 5 4 2 7 3 3 2 3 3 4 5 16 5 7 1 3 5 9 9 11 3 6 5 3 3 3 9 17 5 4 4 5 7 12 2 7 6 7 6 9 2 4 20 36 8 5 11 100 20 41 27 10 62 10 3 5 4 3 3 4 6 7 20 25 15 3 3 3 3 2 2 3 3 3 3 3 3 3 5 3 6 14 48 30 4 3 17 5 3 4 4 3 4 5 2 2 16 75 7 7 1 0 4 5 1 1 4 4 4 8 5 3 2 2 4 3 2 2 3 3 1 2 4 3 2 2 3 2 1 2 4 2 1 3 3 2 1 2 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 5 6 2 2 3 3 2 2 4 3 2 5 4 4 9 10 6 4 5 19 26 32 12 9 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 92 91 d 1H J 89 \| 81 81 d 1H J 12 \| 78 77 dd 1H J 14 89 \| 27 26 q 4H J 83 \| 12 11 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1Cc2c(n[nH]c2-c2ccncc2)-c2ccccc21	ir: 1 2 1 1 2 2 1 3 3 3 14 2 4 6 7 17 2 2 23 4 3 5 1 1 3 6 2 2 2 3 1 6 9 1 8 8 1 2 2 2 1 3 9 4 2 7 16 3 4 9 61 2 4 1 1 1 1 2 1 1 2 2 1 1 2 39 3 2 2 6 4 4 9 17 5 4 6 2 2 3 2 5 3 3 11 6 2 3 19 4 21 2 2 1 2 2 2 2 3 9 14 9 3 2 0 2 4 8 2 2 1 8 1 1 2 2 7 14 24 5 11 7 3 4 1 5 3 2 5 6 33 3 0 2 2 1 6 2 2 16 1 3 6 100 5 5 5 22 9 27 3 3 13 19 16 2 2 2 1 1 3 3 2 20 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 2 2 2 1 1 2 3 1 2 3 3 3 8 6 16 4 28 73 45 11 5 6 3 2 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 2 3 6 4 57 3 32 5 5 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; 1HNMR: 87 86 m 2H \| 79 78 dd 1H J 13 89 \| 76 75 m 2H \| 74 74 m 2H \| 73 73 td 1H J 12 78 \| 34 33 m 1H \| 32 31 dd 1H J 72 166 \| 30 29 dd 1H J 71 167 \| 14 14 d 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1[nH]nc(C(=O)OCC)c1Cl	ir: 5 7 6 6 8 16 26 16 45 11 12 8 8 7 9 3 2 3 4 2 1 4 4 2 2 4 4 2 2 5 5 3 2 5 5 3 2 5 4 1 3 5 4 2 5 6 5 6 9 64 36 16 5 7 4 1 3 5 5 1 4 6 7 5 4 6 3 1 4 6 4 2 7 6 6 6 8 8 3 1 4 4 2 1 4 4 1 2 5 8 3 2 6 4 4 5 6 5 2 3 5 4 2 14 100 66 17 12 11 5 7 7 8 5 12 5 10 7 5 6 6 4 4 6 7 5 3 5 6 11 7 6 6 3 1 4 4 2 6 7 5 2 2 4 4 2 3 5 4 2 3 14 5 56 62 7 4 0 2 5 3 0 2 5 3 1 2 5 3 0 2 5 2 0 3 5 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 2 3 5 3 1 3 5 3 0 3 4 2 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 4 2 4 5 5 2 3 5 4 2 3 6 7 11 13 9 4 1 3 5 3 1 3 5 2 1 3 4 2 1 3 5 6 3 4 4 2 1 6 6 3 3 11 49 93 14 6 4 3 3 4 3 2 3 3 3 2 2 3 3 2 2 3 3 1 2 4 3 1 2 4 2 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4; 1HNMR: 95 95 s 1H \| 44 44 q 2H J 64 \| 29 28 m 2H \| 19 18 qt 2H J 60 74 \| 14 13 t 3H J 64 \| 11 10 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C(=O)C(C)(C)c1cccc(Cl)c1)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1	ir: 6 3 3 2 2 2 0 3 1 1 3 2 2 1 1 3 3 1 1 1 3 2 1 1 2 1 1 1 1 2 2 8 7 6 3 4 14 8 4 7 14 4 8 2 1 1 4 8 3 1 1 1 3 3 6 38 4 0 1 2 1 1 5 5 6 6 4 3 18 15 2 2 2 2 8 6 2 4 3 2 18 3 2 2 2 8 8 3 3 10 2 1 1 2 2 2 13 4 3 3 3 6 4 3 1 1 2 2 2 3 1 2 3 3 1 1 1 2 3 3 1 2 5 5 14 5 6 5 6 9 11 9 6 2 4 19 4 2 2 2 5 2 9 8 4 4 19 11 7 2 1 2 6 2 2 3 1 1 1 0 2 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 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 2 1 1 1 2 3 1 3 6 8 10 13 100 19 17 3 0 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 74 72 m 10H \| 72 72 m 2H \| 70 70 m 2H \| 41 41 tdd 1H J 16 25 57 \| 36 35 m 2H \| 35 35 dtt 1H J 14 26 64 \| 31 31 dd 1H J 25 105 \| 30 29 dd 1H J 22 114 \| 29 29 d 3H J 15 \| 29 28 ddd 1H J 17 43 107 \| 28 27 ddd 1H J 18 42 115 \| 15 14 d 5H J 130	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	ir: 7 9 6 2 4 3 2 3 4 6 5 3 3 2 2 3 3 3 3 4 5 4 3 3 8 5 8 5 15 17 9 15 21 22 40 21 22 22 27 29 41 9 6 5 4 0 3 4 3 1 2 4 2 0 2 3 2 1 2 3 1 0 2 3 2 2 9 5 2 1 3 3 1 1 2 3 2 3 3 3 2 1 2 2 1 1 2 2 2 4 2 2 1 1 2 2 2 4 6 3 2 2 3 3 1 2 4 3 4 3 6 5 4 4 5 5 6 4 5 4 1 3 4 8 3 3 4 2 1 2 3 2 2 4 3 21 4 5 5 3 8 14 100 57 31 17 9 8 12 57 4 4 2 3 2 1 1 3 2 0 1 3 3 1 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 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 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 2 3 2 1 2 4 3 1 2 3 4 3 4 9 9 6 10 10 8 4 3 4 3 1 2 2 2 2 2 2 1 1 2 2 2 2 3 4 5 3 13 30 69 12 7 5 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 74 73 d 4H J 42 \| 73 73 m 1H \| 62 61 q 1H J 49 \| 54 54 d 1H J 78 \| 51 51 s 2H \| 42 42 m 1H \| 28 27 d 3H J 49 \| 17 15 m 2H \| 14 13 m 1H \| 9 9 m 3H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(OCC(F)(F)F)nn1C	ir: 16 4 3 4 3 5 14 8 6 3 22 15 3 3 3 3 2 7 5 3 2 3 4 6 4 19 21 22 3 3 3 4 3 3 3 2 4 5 8 3 4 3 3 2 2 3 3 2 2 3 2 3 3 3 2 3 2 3 2 5 3 3 3 2 3 3 3 2 4 24 22 5 27 12 27 7 3 4 3 2 3 3 2 3 3 3 3 3 3 6 12 16 2 9 3 4 4 5 3 12 5 6 18 10 6 22 8 5 3 3 2 3 4 3 2 24 7 8 5 13 15 4 5 3 3 4 5 14 4 5 8 4 3 2 2 5 14 12 3 3 4 2 16 4 5 1 100 0 2 4 3 2 2 3 3 2 2 3 2 5 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 2 2 2 2 3 3 3 5 3 3 3 3 9 5 3 3 3 3 4 4 6 11 8 4 4 3 37 4 2 3 3 3 2 3 3 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 2 2 2 2; 1HNMR: 64 64 s 1H \| 50 49 d 1H J 130 \| 49 49 d 1H J 130 \| 41 41 s 3H \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCC(=O)OCC1(C)CN(c2ccccc2)NC1=O	ir: 2 3 1 3 2 4 5 4 5 4 3 5 2 2 2 1 1 1 1 1 1 3 6 2 2 1 1 1 1 3 11 21 17 3 3 3 2 1 3 3 5 30 3 3 2 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 5 1 2 1 3 9 9 5 1 1 1 1 1 1 1 2 3 2 1 1 1 1 3 1 1 1 1 3 3 1 1 2 1 2 4 3 2 8 6 4 3 2 1 3 3 2 1 1 4 7 4 5 4 2 7 2 9 4 4 3 2 2 2 1 3 2 1 3 2 5 2 3 1 2 1 1 1 1 2 3 17 38 8 2 4 2 1 2 3 7 6 100 4 3 1 0 0 1 2 1 1 1 1 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 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 3 2 2 2 1 2 1 1 3 6 10 12 7 51 15 5 2 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 6 14 29 13 5 1 4 2 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 93 92 s 1H \| 73 73 m 2H \| 71 71 m 2H \| 70 69 tt 1H J 13 77 \| 46 45 d 1H J 123 \| 43 42 d 1H J 123 \| 40 40 d 1H J 128 \| 38 37 d 1H J 128 \| 24 23 t 2H J 81 \| 15 14 tt 2H J 72 80 \| 14 13 m 5H \| 13 12 s 2H \| 9 9 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@]1(c2cc(Br)ccc2F)CS(=O)(=O)CC(N)=N1	ir: 1 2 3 2 3 10 2 19 4 5 2 3 7 78 21 7 1 3 6 4 9 1 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 4 4 2 2 2 2 3 5 2 2 3 7 6 2 2 2 1 1 2 2 1 2 2 3 10 5 9 11 3 3 2 2 2 1 2 3 2 2 2 3 5 2 2 2 17 12 11 6 1 1 2 2 1 1 2 2 7 3 5 4 2 2 2 1 1 2 5 2 11 24 16 7 4 2 3 2 1 3 3 1 2 2 3 5 4 3 2 4 5 7 8 6 2 3 3 2 1 2 2 1 7 2 2 1 1 2 11 3 1 2 2 2 2 2 2 1 1 2 1 0 1 2 2 0 2 7 73 25 4 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 2 2 2 2 3 4 3 1 1 1 2 2 4 14 8 9 4 10 3 2 4 49 14 2 0 2 2 1 1 3 7 100 31 5 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 76 dd 1H J 21 30 \| 76 75 ddd 1H J 22 36 66 \| 71 71 dd 1H J 67 101 \| 51 50 s 2H \| 45 45 d 1H J 167 \| 45 44 d 1H J 167 \| 40 39 d 1H J 139 \| 38 37 d 1H J 137 \| 15 15 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(O)c(Cc2ccc(C(C)C)cc2)c(C)c1NC(=O)CC(C)(C)C	ir: 3 2 4 4 4 2 3 1 1 2 2 1 2 2 3 2 1 2 2 2 3 2 4 4 2 5 7 9 4 5 1 4 3 4 5 2 2 1 1 1 2 3 4 2 3 2 2 4 4 3 3 3 2 1 9 4 2 2 2 1 2 2 2 1 2 3 1 2 2 4 2 4 2 2 2 2 1 2 1 1 2 2 16 9 1 1 4 10 8 6 6 7 4 3 5 3 2 2 1 1 2 6 3 3 2 1 1 2 1 1 2 1 1 1 1 1 2 1 5 3 4 3 3 2 6 3 2 2 2 2 3 2 1 2 2 1 1 1 1 2 1 1 2 2 2 6 15 6 9 17 5 3 5 5 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 2 3 2 7 15 4 8 22 5 3 2 3 1 0 24 100 27 8 2 1 2 2 1 1 1 2 2 2 1 6 7 18 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; 1HNMR: 87 87 s 1H \| 72 71 m 2H \| 71 70 dt 2H J 9 75 \| 66 66 s 1H \| 51 51 s 1H \| 40 39 t 2H J 9 \| 29 28 tt 1H J 63 74 \| 25 24 s 2H \| 23 23 s 3H \| 22 21 s 3H \| 13 12 d 7H J 66 \| 10 10 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(CN2C(=O)C3(COc4cc5c(cc43)CCO5)c3ccccc32)cc1	ir: 1 2 4 3 10 3 2 2 2 3 3 2 2 1 1 5 3 2 1 1 1 2 2 3 3 10 2 4 17 2 3 7 7 3 2 4 6 6 3 1 2 3 6 32 7 4 4 2 2 1 2 3 2 2 3 1 7 5 4 3 5 1 9 5 2 6 7 16 8 14 8 3 4 7 4 9 1 1 2 2 1 2 3 2 6 1 2 3 2 2 2 2 2 9 4 15 6 3 4 2 1 1 2 3 1 1 2 2 4 2 2 6 9 3 3 4 5 2 2 2 2 5 3 3 5 15 1 2 2 1 2 15 4 2 1 1 3 3 7 7 1 2 3 2 3 3 33 8 15 4 62 5 15 5 2 0 1 2 2 5 2 22 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 3 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6 2 1 1 2 2 2 1 5 15 5 15 100 24 2 5 4 3 1 2 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1; 1HNMR: 77 76 m 2H \| 74 73 m 3H \| 73 73 m 1H \| 73 72 m 2H \| 73 72 m 1H \| 66 66 s 1H \| 53 52 m 2H \| 51 50 d 1H J 115 \| 48 48 d 1H J 113 \| 45 44 t 2H J 42 \| 32 31 td 2H J 9 42	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(Cc1cccc(-c2ccnc(NCCc3ccc(O)c(Cl)c3)n2)c1)S(C)(=O)=O	ir: 24 20 5 9 4 5 11 13 24 4 5 6 8 11 13 12 4 7 5 8 10 15 31 5 5 6 3 6 6 3 10 13 6 20 13 25 17 39 8 4 1 6 21 10 48 20 5 4 12 5 3 4 5 9 19 10 9 6 2 4 6 11 3 4 3 8 4 21 12 33 17 28 22 13 4 0 10 12 11 4 7 21 24 16 28 29 33 35 67 85 24 10 5 5 5 2 6 6 4 8 5 7 3 4 11 7 7 3 6 5 2 8 8 6 9 3 2 7 3 7 13 20 38 18 11 5 8 2 4 3 2 3 4 3 3 6 5 4 9 44 53 26 17 3 3 9 28 10 18 66 49 10 7 14 11 9 4 20 10 2 3 3 3 3 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 0 1 0 1 1 0 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 1 0 1 0 1 0 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 0 1 1 1 1 2 2 1 2 1 1 1 1 1 2 1 1 1 3 3 2 1 1 2 1 2 2 1 4 3 5 10 27 23 16 16 100 32 30 9 9 4 4 16 91 30 3 2 4 2 1 1 2 4 6 1 5 4 5 11 1 32 42 31 15 3 3 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 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; 1HNMR: 84 84 d 1H J 48 \| 77 77 tt 1H J 9 19 \| 76 76 ddd 1H J 13 22 81 \| 75 74 t 1H J 80 \| 74 73 dtd 1H J 9 21 81 \| 73 72 d 1H J 48 \| 71 70 m 1H \| 69 69 ddt 1H J 9 20 87 \| 68 68 d 1H J 86 \| 67 66 s 1H \| 57 57 t 1H J 46 \| 43 42 d 2H J 9 \| 37 36 td 2H J 46 70 \| 31 30 m 4H \| 29 28 s 2H \| 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.
Brc1ccc(OCc2ccccc2)cc1OCc1cccnc1	ir: 3 3 1 4 8 10 3 10 4 4 2 2 1 2 2 1 2 2 2 3 1 3 1 1 4 6 6 6 10 9 16 7 31 56 7 11 15 9 22 42 67 68 8 4 1 6 6 4 2 2 1 2 2 31 19 5 8 5 3 4 13 12 11 18 16 38 32 15 28 33 33 16 4 1 2 3 3 4 9 4 8 9 2 2 2 3 4 7 16 7 3 3 3 4 5 12 11 9 64 6 0 1 2 2 1 2 3 1 1 1 3 12 20 4 1 2 2 2 2 8 20 34 15 8 8 7 4 12 6 6 2 2 2 5 26 12 15 6 14 62 12 5 21 32 10 19 8 13 11 43 9 8 15 84 13 5 2 5 21 7 5 29 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 2 2 4 6 5 13 32 54 89 48 100 31 14 8 7 2 3 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 85 m 2H \| 77 77 dtt 1H J 9 20 77 \| 76 75 dd 1H J 43 76 \| 75 73 m 5H \| 73 73 m 1H \| 67 67 dd 1H J 23 89 \| 65 65 d 1H J 23 \| 53 52 t 2H J 8 \| 51 50 d 2H J 9	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1ccc(-c2ccc3nccc(-c4ccncc4)c3n2)o1	ir: 1 1 2 1 2 2 3 4 8 2 0 4 8 9 3 4 4 5 6 4 5 3 1 21 4 26 5 2 6 14 7 14 2 4 2 0 1 2 1 0 0 1 2 6 4 6 2 1 1 3 6 11 8 20 6 4 20 44 17 5 2 2 2 1 8 3 9 3 4 20 29 18 11 8 9 5 4 3 4 3 6 7 4 12 10 39 72 43 25 18 2 6 4 13 9 5 9 5 2 1 1 1 0 1 1 1 3 3 2 1 2 9 8 1 2 5 12 3 17 13 11 12 10 7 6 3 1 2 2 1 0 1 1 1 0 1 1 5 2 5 1 1 21 16 9 16 31 38 18 5 5 5 15 20 7 11 15 37 9 1 2 8 7 4 2 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 3 2 2 2 2 3 4 6 12 52 31 56 29 28 14 3 22 47 100 40 10 2 3 1 2 1 1 1 2 0 0 1 1 1 0 2 1 1 1 1 1 0 0 1 1 1 1 1 1 0 1 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 88 88 d 1H J 49 \| 86 86 m 2H \| 83 82 d 1H J 91 \| 81 81 d 1H J 91 \| 80 80 d 1H J 51 \| 77 76 m 2H \| 69 69 d 1H J 59 \| 66 66 dt 1H J 10 60 \| 47 46 dd 2H J 8 57 \| 39 39 t 1H J 58	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(-c2cc(CCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)on2)cc1	ir: 3 2 4 3 1 1 1 2 1 3 5 2 2 2 14 17 13 6 3 1 1 1 1 0 1 2 3 14 2 12 49 32 42 13 13 4 3 3 3 26 35 97 15 20 7 4 1 2 2 1 1 1 1 1 5 2 1 5 9 4 1 1 2 2 3 3 8 7 13 8 15 13 8 4 4 11 6 5 10 16 52 16 6 5 4 9 1 1 1 3 12 3 2 1 4 2 2 3 2 9 6 26 10 3 2 1 1 1 1 1 3 3 3 1 1 5 3 3 2 1 7 3 4 5 5 9 6 4 2 4 6 5 2 5 6 40 18 2 3 20 41 11 6 35 22 18 6 4 4 1 1 2 2 8 32 15 2 0 0 1 1 1 3 3 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 1 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 1 0 0 0 0 1 0 1 0 1 1 1 1 4 2 1 2 2 1 2 3 2 11 16 29 22 100 44 53 14 9 3 2 3 3 3 2 1 1 1 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 m 2H \| 75 74 m 6H \| 74 74 ddt 1H J 13 68 79 \| 74 73 m 4H \| 73 72 m 2H \| 63 63 t 1H J 9 \| 41 41 d 1H J 9 \| 29 28 td 2H J 7 84 \| 25 25 t 2H J 61 \| 24 23 m 4H \| 22 21 m 4H \| 19 18 tt 2H J 61 85	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(Br)c2cnnc(NCc3ccccc3)c2n1Cc1ccccc1	ir: 6 2 2 2 10 7 24 14 4 5 8 33 23 6 3 8 27 56 53 21 17 9 5 5 4 4 3 5 19 11 10 25 10 8 3 6 4 5 56 100 51 7 26 14 4 2 2 5 4 0 2 6 7 4 4 5 2 0 2 4 2 0 2 6 3 4 10 7 14 15 5 3 1 1 3 3 2 5 11 4 6 4 3 4 3 9 4 3 7 33 5 3 1 2 3 3 3 6 9 6 2 3 3 2 0 1 3 2 0 1 3 2 14 4 3 5 10 8 5 9 8 10 13 8 5 3 4 2 1 4 4 4 20 7 14 38 7 7 35 27 97 4 16 29 14 8 6 6 4 3 61 9 9 5 94 3 7 7 3 2 13 3 2 1 2 3 2 0 1 3 2 0 1 3 2 0 2 3 1 0 2 3 1 0 2 2 1 1 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 0 1 2 2 0 1 3 2 0 1 3 1 0 1 3 1 0 1 3 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 1 3 2 1 1 3 2 1 2 2 2 1 2 5 4 2 2 4 4 0 6 8 11 20 44 74 26 23 5 3 2 3 5 3 5 2 2 3 2 2 2 4 2 1 4 4 5 6 35 37 53 71 19 7 9 4 4 2 2 2 3 3 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 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 84 84 s 1H \| 74 72 m 11H \| 71 71 t 1H J 54 \| 55 55 t 2H J 8 \| 47 47 dt 2H J 9 54 \| 23 23 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(SCSc3c[nH]nn3)CS[C@H]12)c1csc(N)n1	ir: 2 2 2 1 1 2 2 2 1 2 1 1 2 2 3 1 2 2 1 5 9 11 5 2 1 1 1 3 3 3 1 3 1 2 2 1 2 1 2 3 8 2 6 3 9 6 1 0 1 1 1 0 0 0 1 0 1 0 0 0 1 1 1 1 0 1 0 1 0 1 1 2 2 1 1 1 2 4 5 1 2 2 1 2 2 1 1 1 1 0 1 1 1 2 1 4 4 2 2 1 1 0 0 1 1 1 1 1 2 2 1 1 1 1 1 0 1 1 1 0 0 0 1 1 1 1 1 4 3 0 1 4 9 1 1 3 1 1 0 1 1 0 0 1 1 2 6 3 3 14 3 13 27 2 4 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 1 3 1 0 4 4 2 1 1 1 3 1 1 4 1 6 100 23 8 1 0 0 1 1 1 2 10 3 1 1 2 11 2 5 5 1 3 3 3 3 1 0 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 d 1H J 14 \| 78 77 d 1H J 82 \| 70 70 s 1H \| 61 61 s 2H \| 60 59 m 1H \| 58 58 dd 1H J 68 81 \| 53 52 m 2H \| 52 51 d 1H J 68 \| 47 46 m 4H \| 39 39 d 1H J 145 \| 38 38 d 1H J 145	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1ccnc1Cn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21	ir: 17 34 14 9 17 12 20 20 14 12 11 10 10 10 11 11 10 8 8 9 8 7 10 12 7 7 6 6 7 8 11 9 9 8 7 8 6 7 16 13 7 18 20 15 13 6 9 9 8 7 9 8 10 7 9 23 23 21 11 9 6 7 8 8 9 12 8 8 11 16 36 17 10 9 8 6 6 9 7 11 9 14 13 25 13 25 14 23 15 11 16 20 46 15 62 42 20 14 8 10 5 8 10 15 14 36 21 24 9 7 12 12 14 15 13 10 14 29 51 18 16 19 9 14 20 11 11 11 11 11 10 8 18 18 10 8 7 7 8 9 8 13 34 17 13 8 15 94 15 7 7 7 10 7 6 6 6 7 6 8 25 8 6 6 6 12 7 6 6 6 6 6 6 5 9 8 6 23 6 8 5 0 44 11 7 8 5 4 6 7 5 5 6 7 5 5 6 6 5 5 6 6 5 5 6 6 5 6 6 6 5 5 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 6 6 6 6 6 7 7 6 6 6 6 7 6 6 6 6 6 7 6 6 7 8 9 8 9 10 12 8 14 16 17 15 9 9 15 19 18 14 40 47 45 80 74 58 42 14 12 19 18 96 100 13 9 12 9 8 7 8 8 8 7 8 7 13 14 25 26 31 15 10 10 9 8 7 7 6 8 6 6 6 6 6 6 6 7 6 5 6 6 6 5 6 6 6 6 6 6 6 5 6 6 6 5 6 6 5 5 6 6 6 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5; 1HNMR: 82 81 dt 1H J 9 17 \| 80 80 t 1H J 61 \| 77 76 dt 1H J 9 17 \| 73 72 ddt 2H J 9 35 80 \| 71 70 m 2H \| 70 70 d 1H J 42 \| 69 69 m 1H \| 56 56 s 2H \| 56 55 t 1H J 56 \| 40 39 p 2H J 9 \| 37 37 d 3H J 7 \| 36 36 dt 2H J 48 57 \| 35 34 dt 2H J 48 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccc(Cl)cc1)NC1Cc2ccccc2N(C2=CCC(=NN3CCCC3)C=C2)C1=O	ir: 11 7 2 5 10 6 2 5 8 4 8 5 7 4 2 5 7 5 4 8 9 5 2 9 8 7 2 7 7 2 2 6 10 2 5 8 7 2 7 10 7 23 41 40 16 11 7 9 9 6 5 10 12 12 20 20 9 2 7 9 4 2 5 7 4 0 16 8 4 4 5 9 3 1 5 9 5 1 5 6 2 2 5 7 4 2 6 6 4 6 12 6 2 4 7 6 5 5 7 6 1 5 9 11 15 6 9 11 7 5 8 6 3 6 17 8 4 9 8 5 2 5 10 11 5 11 6 6 4 5 10 8 4 5 6 3 2 8 6 4 6 6 6 4 3 7 15 15 25 56 100 26 10 24 23 19 5 9 5 2 6 9 14 1 4 7 4 1 3 7 4 1 4 7 4 1 4 6 3 1 4 6 3 1 4 6 3 1 5 6 3 2 5 6 2 2 5 5 2 2 5 5 2 2 5 5 2 2 6 5 1 3 6 4 1 3 6 4 1 3 6 4 1 3 6 4 1 3 6 3 1 4 6 3 1 4 6 3 1 4 6 3 2 4 6 3 2 5 5 3 2 5 5 2 2 5 5 2 2 5 5 2 2 5 5 2 3 6 5 2 3 6 4 3 4 8 6 2 4 7 7 4 6 13 12 22 41 47 23 4 9 10 4 2 5 7 4 2 5 7 4 3 5 6 4 4 6 8 6 7 9 50 34 8 8 6 3 3 6 5 2 3 6 5 2 3 5 4 2 3 5 4 2 3 6 4 2 3 6 4 1 4 6 4 1 4 6 3 1 4 6 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 5 5 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 6 4 1; 1HNMR: 81 80 s 1H \| 75 75 dd 1H J 14 75 \| 75 74 d 1H J 84 \| 73 73 m 3H \| 73 72 dtd 2H J 10 20 84 \| 72 71 m 2H \| 71 70 ddd 1H J 14 76 86 \| 70 69 dt 1H J 10 99 \| 60 60 td 1H J 13 61 \| 47 46 dt 1H J 60 86 \| 34 33 dt 2H J 9 60 \| 33 32 ddd 1H J 8 59 152 \| 30 29 ddd 1H J 9 60 151 \| 29 28 m 4H \| 19 19 p 4H J 21	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccc(SCC=C(C)CCC=C(C)C)cc1	ir: 4 1 1 2 2 2 2 2 4 1 3 5 11 17 12 6 3 3 4 11 5 1 1 1 1 3 2 1 1 1 1 1 1 1 1 2 1 6 3 3 1 3 1 1 3 2 2 2 3 4 5 3 7 17 24 20 9 2 5 10 6 11 2 8 8 16 16 22 16 4 8 3 3 4 5 2 3 2 2 1 1 1 1 1 1 3 6 3 2 2 3 1 8 15 7 5 7 13 8 3 2 1 1 5 2 4 3 2 2 3 4 5 22 16 11 9 7 14 17 15 11 8 8 15 11 8 6 2 3 4 2 1 1 1 3 8 3 3 2 1 1 1 2 0 16 15 23 10 5 2 2 7 8 3 2 2 3 20 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 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 0 1 0 1 1 1 0 1 0 1 1 0 1 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 5 2 2 3 5 15 5 7 6 3 7 12 12 19 44 50 74 100 23 12 14 10 3 2 2 3 2 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 72 71 m 4H \| 55 54 ddq 1H J 13 38 48 \| 51 50 dddt 1H J 12 26 63 88 \| 35 35 dp 2H J 10 41 \| 27 26 qt 2H J 8 72 \| 22 21 m 1H \| 21 20 m 3H \| 17 17 q 3H J 10 \| 17 16 hept 3H J 12 \| 16 16 hept 3H J 12 \| 13 12 t 3H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccn(Cc2ccccc2)c1	ir: 7 4 3 4 8 4 17 9 7 6 3 5 9 6 9 11 6 50 49 9 29 52 75 41 79 88 52 13 12 5 5 11 17 19 7 8 5 5 7 6 67 16 6 7 8 3 3 6 5 6 7 8 13 13 6 6 4 0 3 6 3 0 3 6 6 1 4 12 22 18 7 5 7 3 14 22 100 54 24 19 8 2 4 5 3 3 6 5 21 20 10 6 8 15 10 5 2 4 6 5 1 2 4 3 1 2 5 3 0 3 6 13 7 3 5 12 10 10 13 8 2 4 5 5 2 11 17 6 3 5 6 3 2 4 6 9 6 6 5 4 6 14 21 12 12 12 9 20 45 39 6 10 7 13 8 2 2 4 8 2 2 4 3 1 2 4 3 1 2 4 2 0 2 4 2 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 4 4 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 3 4 3 2 3 5 3 2 3 8 8 10 13 77 28 57 38 22 17 6 6 7 27 25 25 6 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 4 3 1 2 4 2 1 2 4 2 1 3 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 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; 1HNMR: 74 72 m 4H \| 72 72 ddq 2H J 8 15 58 \| 70 70 ddt 1H J 9 18 49 \| 69 69 dd 1H J 17 49 \| 53 52 p 2H J 9	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=O)NCCc1ccc(OC)c(OC)c1Cl	ir: 0 2 1 2 1 1 3 1 1 1 2 0 0 1 2 3 1 2 4 1 1 4 2 2 2 4 9 9 3 2 3 2 4 9 25 3 16 5 2 1 1 4 1 1 2 3 3 5 3 3 2 1 2 3 16 3 3 22 2 3 3 11 1 0 2 5 2 1 2 2 2 6 2 5 1 0 2 2 1 0 1 1 0 0 1 1 0 8 3 1 3 2 1 1 1 2 2 6 3 1 1 1 2 2 1 1 0 1 2 3 1 1 3 7 5 5 2 3 3 7 2 6 3 3 5 1 2 3 3 2 0 1 1 0 0 1 1 1 1 2 4 6 2 41 9 25 56 34 7 2 1 11 4 1 1 1 1 0 1 6 1 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 2 2 2 4 2 1 1 3 3 13 6 2 12 100 8 3 1 2 1 1 1 1 1 1 0 0 1 1 0 1 1 1 3 2 9 13 18 15 34 6 1 2 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 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 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: 68 67 m 2H \| 65 64 t 1H J 45 \| 39 39 s 3H \| 39 38 s 3H \| 35 34 td 2H J 46 56 \| 30 30 td 2H J 7 56 \| 23 22 q 2H J 73 \| 10 10 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1sc(=O)n(Cc2ccccc2)c1=S	ir: 15 12 8 3 11 6 8 3 4 3 1 2 5 6 3 1 1 1 0 1 2 2 1 1 2 8 4 2 3 3 5 8 13 10 4 3 2 18 13 28 72 2 2 13 3 4 6 4 1 1 1 1 4 22 1 2 1 0 2 13 25 2 2 3 19 8 6 1 15 6 6 5 3 6 14 2 4 2 4 6 7 3 1 1 1 1 1 1 9 9 0 2 11 7 11 15 28 8 9 4 1 15 14 5 5 5 4 8 25 12 4 2 3 2 2 2 4 4 8 2 1 4 2 2 0 1 2 3 4 4 3 7 2 2 7 15 7 100 8 1 2 2 6 21 12 3 2 2 2 1 2 5 5 3 1 1 0 1 1 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 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 0 2 1 3 1 1 1 1 0 1 2 2 1 3 1 2 3 3 4 9 17 10 36 19 19 3 3 2 1 2 4 1 1 1 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0; 1HNMR: 73 72 m 5H \| 55 55 t 2H J 8 \| 40 39 q 2H J 78 \| 15 14 t 3H J 78	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(-c2ccccc2)n2nc(Nc3ccc(OCCN4CCOCC4)cc3)ncc12	ir: 2 2 4 1 1 1 0 1 1 1 1 4 3 3 2 2 1 4 4 2 22 6 4 6 9 16 4 11 14 5 63 15 27 16 4 2 1 3 4 3 7 7 10 3 1 2 2 0 1 5 16 2 1 2 9 12 7 4 3 3 1 1 1 3 2 6 2 4 6 24 5 12 6 3 1 3 1 1 2 4 1 3 13 2 4 7 2 1 1 1 0 3 5 9 1 1 2 2 5 3 1 3 5 11 9 15 6 1 1 1 1 2 1 3 1 1 1 1 3 0 1 1 1 1 2 1 2 3 4 5 1 2 13 15 47 13 3 2 8 10 1 1 2 9 8 5 12 15 9 2 10 7 20 14 18 1 2 0 0 2 16 2 0 3 16 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 2 1 1 2 1 1 1 0 1 1 7 8 17 44 30 4 5 2 1 1 1 1 1 1 0 1 1 2 1 0 1 1 2 1 1 2 5 11 100 58 4 10 2 2 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; 1HNMR: 90 90 s 1H \| 89 89 s 1H \| 81 80 m 2H \| 76 74 m 5H \| 69 69 m 2H \| 41 41 t 2H J 59 \| 37 37 t 4H J 47 \| 27 27 m 4H \| 26 25 td 4H J 23 44	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2)cn1	ir: 1 3 4 4 2 3 4 4 5 8 3 4 8 4 2 2 3 3 2 2 2 2 2 4 5 5 3 2 2 2 3 5 5 3 5 15 71 18 4 8 6 3 3 2 2 4 4 17 2 3 3 5 5 11 26 43 26 14 11 22 6 8 4 9 3 4 2 2 17 16 14 9 4 3 6 2 2 2 3 2 2 2 2 2 8 3 1 2 5 9 13 3 10 19 9 26 8 13 3 2 1 2 3 4 2 1 2 2 2 5 22 3 2 2 2 2 4 3 2 4 5 5 9 15 6 6 10 6 4 1 2 2 2 7 4 8 34 70 30 10 3 11 2 36 4 4 9 6 11 8 28 29 8 10 12 17 62 6 9 9 3 2 3 80 4 4 2 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 2 2 1 2 3 3 7 16 7 24 72 100 26 28 28 6 5 3 3 2 2 2 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 89 89 dd 1H J 17 41 \| 85 84 d 1H J 19 \| 81 80 dt 1H J 21 85 \| 80 79 m 3H \| 78 78 dq 1H J 11 25 \| 76 75 d 1H J 88 \| 74 73 m 2H \| 69 68 d 1H J 76 \| 68 68 d 1H J 9 \| 40 40 q 2H J 9 \| 39 39 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1cccnc1Oc1ccc(Cl)cc1Cl)N1CCCc2ccccc21	ir: 3 1 1 1 13 5 5 2 4 2 3 1 1 4 4 1 1 1 0 14 9 1 2 3 2 1 3 1 1 0 5 2 2 5 14 11 15 25 12 20 12 42 49 2 31 4 10 0 1 3 8 2 4 11 30 5 3 2 1 1 2 1 2 5 1 1 14 8 3 2 1 2 1 7 5 3 3 1 1 1 2 8 21 20 13 3 2 2 10 10 3 4 1 2 1 1 0 1 2 4 13 6 6 2 3 1 1 1 0 1 4 7 2 2 3 2 2 7 2 3 10 7 4 5 1 3 3 1 0 8 35 12 16 1 0 2 1 8 23 7 21 29 10 2 18 17 2 6 20 67 46 12 5 9 78 31 4 14 3 7 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 1 0 0 1 1 1 2 2 2 3 1 1 1 4 4 13 18 14 13 80 100 36 7 3 2 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 0 0 0 0 0; 1HNMR: 82 82 dd 1H J 20 44 \| 81 81 dd 1H J 21 82 \| 75 74 d 1H J 22 \| 73 72 m 3H \| 72 71 dd 1H J 14 74 \| 71 70 ddt 1H J 9 18 81 \| 70 69 d 1H J 88 \| 66 65 td 1H J 15 79 \| 41 40 ddd 1H J 41 61 123 \| 39 38 ddd 1H J 42 62 125 \| 28 27 td 2H J 8 72 \| 21 20 qdd 2H J 42 61 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1=NC1c1ccccc1Br	ir: 2 1 0 1 2 2 3 6 2 2 2 10 5 2 1 1 2 1 0 1 1 0 1 5 2 0 0 1 1 0 1 1 1 1 1 4 2 0 1 3 7 16 49 33 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 0 1 1 2 1 2 3 4 7 6 6 4 2 6 10 2 3 5 3 4 7 2 1 2 14 3 2 1 1 1 2 2 6 2 2 5 3 2 2 1 2 2 3 1 2 2 1 1 1 2 2 3 3 2 1 2 1 4 4 9 9 2 2 1 2 4 4 11 12 6 4 12 18 16 21 3 1 1 2 2 1 2 51 100 30 6 1 1 1 1 2 1 2 3 2 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 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 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 3 2 1 2 4 6 13 6 6 54 47 49 12 4 3 3 3 2 1 1 0 2 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 78 77 dd 1H J 13 82 \| 75 74 ddd 1H J 7 16 72 \| 74 74 td 1H J 14 71 \| 73 73 ddd 1H J 15 71 85 \| 45 45 m 1H \| 19 18 d 3H J 15	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2CO)nc1	ir: 2 1 2 4 3 5 6 3 2 4 1 2 2 2 7 3 3 5 5 3 2 2 4 2 1 1 1 5 5 2 2 3 2 3 2 5 4 16 11 9 4 5 4 3 2 2 1 1 1 1 1 1 1 9 8 1 2 2 2 3 1 2 4 6 4 0 3 3 2 5 11 4 1 1 1 1 0 0 1 1 1 1 1 1 2 5 6 4 5 7 8 4 3 8 3 10 6 1 2 2 3 1 2 1 1 0 1 1 0 2 6 0 0 1 1 1 0 1 1 1 0 1 2 6 2 2 1 1 2 1 3 5 10 8 3 1 2 1 1 1 1 2 3 100 45 1 5 18 9 4 4 3 2 1 1 2 2 40 5 5 1 1 6 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 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 1 1 0 0 1 1 1 1 1 1 1 4 1 4 4 5 5 17 8 4 1 5 31 6 2 2 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: 84 83 t 1H J 9 \| 81 80 d 1H J 20 \| 73 73 dd 1H J 6 82 \| 71 70 dd 1H J 18 82 \| 49 49 dd 2H J 8 67 \| 44 43 dd 1H J 65 124 \| 42 41 dd 1H J 65 124 \| 39 39 s 3H \| 33 32 t 1H J 67 \| 28 27 m 1H \| 25 24 s 3H \| 20 19 tdt 1H J 64 80 93 \| 15 14 td 1H J 59 93 \| 13 12 ddd 1H J 69 82 95	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3ccccc3C[C@@H]21	ir: 2 2 8 5 1 2 3 3 2 2 4 2 6 8 4 47 87 2 4 2 2 5 4 3 1 3 3 0 1 4 6 0 1 13 4 2 10 9 16 100 16 8 67 15 2 1 3 4 8 3 1 2 4 12 16 6 1 1 1 3 4 2 2 2 2 2 3 6 6 9 25 4 2 3 2 2 3 2 1 1 2 4 1 2 4 3 2 34 21 6 1 1 7 2 2 5 3 4 17 21 2 6 2 3 6 3 16 7 2 3 2 6 5 7 2 2 2 6 2 4 2 3 12 30 10 3 4 13 5 6 1 3 7 6 3 4 13 41 3 9 89 6 2 5 12 2 4 11 69 20 5 3 2 1 59 0 1 2 3 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 3 3 4 4 3 5 4 9 5 0 14 5 48 70 35 26 7 5 4 2 1 1 2 4 2 1 1 3 1 1 2 2 1 1 2 2 1 9 9 59 14 2 2 2 1 1 2 2 1 1 3 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 d 1H J 60 \| 80 80 d 1H J 21 \| 78 78 d 1H J 81 \| 77 77 dd 1H J 22 81 \| 74 73 d 1H J 60 \| 72 72 m 3H \| 72 71 m 1H \| 42 42 dt 1H J 42 62 \| 37 36 m 2H \| 36 35 m 1H \| 31 31 dddd 1H J 8 17 42 137 \| 28 27 ddd 1H J 9 62 139 \| 23 22 m 1H \| 20 19 m 1H \| 18 17 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ncnc2ccccc12	ir: 1 5 5 5 1 3 7 12 5 4 6 5 7 5 9 4 4 4 7 7 11 11 5 3 54 23 35 20 8 5 4 2 2 4 4 2 3 4 4 38 4 28 33 0 16 20 13 25 14 14 10 26 6 19 3 2 3 5 3 1 5 5 5 4 4 6 4 8 13 11 21 3 4 5 7 3 6 6 2 2 4 7 7 9 7 8 6 3 4 4 2 3 5 4 3 13 6 19 11 3 5 4 2 3 5 4 3 17 15 7 6 6 6 4 1 5 8 4 3 5 6 4 3 4 6 3 1 4 6 6 6 12 6 5 3 6 4 3 2 6 21 21 23 16 9 4 5 11 14 7 11 7 5 1 15 50 70 15 100 1 3 4 3 4 37 14 3 3 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 3 4 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 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 4 3 2 2 4 3 2 3 4 3 2 3 5 4 3 3 4 3 2 3 4 3 2 4 5 8 10 10 11 47 30 19 13 10 4 4 5 3 2 3 4 3 3 3 4 3 2 3 4 3 2 3 4 2 2 3 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 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4; 1HNMR: 89 89 s 1H \| 81 80 m 2H \| 78 77 ddd 1H J 13 69 80 \| 75 74 ddd 1H J 13 70 95 \| 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)N1c2ccccc2[C@H](NC(=O)OCc2ccccc2)[C@@H](C)[C@@H]1C(C)C	ir: 6 8 3 3 3 1 2 2 6 5 3 3 3 2 3 2 1 3 3 2 2 2 4 2 6 6 5 9 29 34 17 11 13 6 6 2 2 6 5 5 11 6 6 41 6 0 1 2 2 2 1 2 2 0 1 2 2 1 2 2 2 2 2 3 2 3 12 4 5 1 6 6 3 1 4 8 3 2 3 4 3 1 2 2 2 2 3 4 5 15 6 7 2 2 2 2 2 4 9 4 3 4 4 2 3 2 2 5 5 4 8 4 3 2 5 2 4 4 3 4 4 5 3 2 4 6 3 4 4 3 3 6 9 4 10 9 11 10 7 2 5 14 32 18 14 44 21 21 12 19 7 26 5 4 3 2 1 2 2 2 6 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 2 2 2 2 3 3 4 11 9 8 18 9 18 100 42 16 6 3 3 2 2 3 2 2 2 2 1 1 1 2 1 1 2 1 1 2 3 7 22 4 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 74 ddd 1H J 7 14 87 \| 74 72 m 8H \| 72 71 ddd 1H J 15 78 86 \| 58 58 d 1H J 95 \| 51 50 s 2H \| 50 49 m 1H \| 37 36 m 1H \| 23 23 s 2H \| 23 21 m 1H \| 21 20 dpd 1H J 25 66 82 \| 10 10 d 3H J 71 \| 10 9 dd 3H J 15 66 \| 9 9 dd 3H J 16 65	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCS(=O)(=O)c1ccc2sc(N)nc2c1	ir: 10 7 2 5 6 10 34 8 7 14 17 18 17 4 4 4 6 5 3 5 1 4 5 24 4 4 3 4 4 3 1 7 3 2 1 4 9 4 4 4 10 5 4 3 1 2 2 2 2 1 1 3 3 8 10 6 2 0 7 6 3 2 1 1 1 14 4 3 9 3 1 1 1 0 1 1 1 14 2 2 1 1 2 1 17 5 5 2 4 4 3 1 1 8 2 1 1 1 1 1 1 1 2 2 2 2 3 3 7 1 3 3 1 1 1 1 5 2 2 9 3 3 2 43 7 2 2 2 0 1 2 1 0 6 14 2 2 1 2 2 1 3 5 1 1 2 3 3 6 4 14 11 42 67 26 13 3 3 2 2 1 1 2 1 2 2 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 4 4 2 0 1 1 2 2 4 4 14 4 6 8 4 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 5 26 46 8 3 0 1 1 1 1 1 4 5 22 100 22 4 2 2 1 1 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0; 1HNMR: 82 82 d 1H J 21 \| 79 79 dd 1H J 21 87 \| 78 78 d 1H J 87 \| 53 52 s 2H \| 33 33 q 2H J 91 \| 13 12 t 3H J 92	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Cc1cc(C#N)c2c(c1)[C@@H]1CNCC[C@@H]1N2C	ir: 2 3 6 19 6 2 4 3 5 4 3 1 1 5 4 1 1 2 3 1 0 2 2 1 1 3 3 1 1 4 2 1 1 4 3 2 1 2 2 5 10 14 47 5 4 6 3 1 8 16 13 0 3 7 14 20 27 28 7 2 2 10 7 14 5 7 6 8 10 2 2 4 9 6 1 3 2 3 2 1 2 2 1 1 2 5 6 7 4 2 3 3 11 26 23 8 4 4 1 1 2 2 1 1 6 5 4 6 14 15 22 42 16 15 6 10 15 19 14 8 13 7 3 8 7 4 10 13 10 11 17 7 4 6 4 3 3 1 0 2 3 6 5 5 1 1 1 2 2 1 1 2 2 1 3 3 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 3 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 2 1 2 3 2 2 2 4 3 4 3 3 2 4 5 4 6 4 16 8 11 7 17 6 4 2 4 3 2 1 2 2 1 1 2 3 4 7 7 6 12 100 23 6 2 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 73 72 dt 1H J 9 20 \| 72 71 dq 1H J 9 15 \| 37 37 m 1H \| 33 32 ddd 1H J 38 53 126 \| 30 29 m 5H \| 29 28 dddd 1H J 26 43 53 134 \| 27 26 tt 1H J 43 53 \| 26 25 m 2H \| 23 23 tt 1H J 7 37 \| 21 20 dddd 1H J 26 53 64 126 \| 20 18 m 2H \| 9 9 d 6H J 69	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1c(-c2ccccc2)nc(-c2ccc(C#N)cc2)c1Sc1ccc(Cl)cc1	ir: 4 2 1 2 4 2 1 3 4 4 16 6 6 11 6 16 9 4 2 10 24 10 8 7 31 3 11 5 13 6 13 9 11 7 8 8 7 3 3 8 6 4 35 6 6 2 2 4 3 2 3 5 4 6 49 22 13 43 7 8 3 2 3 4 2 1 2 5 11 5 5 6 3 2 5 4 5 8 5 4 2 3 3 4 2 9 3 3 2 2 3 4 12 3 4 3 1 4 7 3 2 2 4 3 1 2 4 3 1 3 6 5 1 2 6 5 6 7 10 6 24 9 10 10 5 4 5 6 13 8 10 5 100 15 28 17 9 5 9 53 4 5 5 13 15 19 10 11 16 7 6 5 6 5 3 1 1 4 3 1 2 7 3 0 2 4 2 0 2 4 2 0 2 4 3 0 2 4 2 0 3 6 25 4 2 2 2 2 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 3 2 1 2 3 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 3 3 4 3 1 3 5 3 2 3 5 4 3 7 10 22 13 51 85 32 63 10 9 4 3 5 5 4 4 3 3 2 2 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 79 78 m 2H \| 78 78 m 2H \| 77 77 m 2H \| 76 75 m 2H \| 75 75 m 1H \| 74 74 m 4H \| 42 42 q 2H J 55 \| 15 14 t 3H J 56	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cnc(N2CCN(C(=O)c3ccc(Br)c(F)c3)CC2)c(C)c1	ir: 8 8 5 4 6 3 3 4 3 3 5 3 3 3 3 3 3 6 5 3 5 2 2 3 5 3 3 3 3 3 4 8 10 8 12 33 13 32 30 0 3 4 4 2 3 7 5 4 3 4 2 2 2 5 4 33 10 6 5 11 7 6 10 10 9 3 7 6 23 17 6 5 13 3 3 2 3 2 4 2 3 2 3 4 8 29 5 12 17 14 23 7 6 7 14 12 13 18 8 4 4 8 6 6 8 24 9 4 3 3 3 6 10 8 12 8 5 4 7 10 16 17 14 47 27 13 17 19 7 10 13 4 7 5 21 17 4 5 7 18 100 18 7 4 5 28 19 73 30 10 8 6 10 26 6 8 3 3 3 1 16 1 2 4 2 1 2 3 2 1 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 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 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 3 4 2 2 3 4 3 3 2 3 3 4 3 6 14 11 6 26 87 40 13 9 5 4 4 3 2 3 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 78 78 q 1H J 10 \| 77 76 m 3H \| 71 71 m 1H \| 37 36 m 4H \| 36 36 m 4H \| 24 23 d 3H J 8 \| 22 21 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)O	ir: 9 3 5 6 6 16 7 5 6 5 5 3 7 28 4 5 9 8 6 6 8 36 83 7 5 5 4 3 2 4 4 2 3 3 2 12 11 5 9 3 11 6 2 2 2 2 2 11 21 4 3 3 4 4 12 2 6 5 6 6 3 4 3 4 4 28 4 7 3 6 4 3 9 5 6 6 22 17 32 36 42 9 4 15 14 15 100 14 7 6 2 3 5 7 4 5 5 10 5 12 12 32 6 3 3 2 1 2 2 3 5 14 10 7 4 5 5 5 2 5 4 3 2 4 8 16 3 3 3 7 3 2 2 2 2 2 2 2 2 2 3 2 4 4 4 10 30 41 11 6 17 4 3 1 2 4 2 1 2 2 2 2 5 8 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 2 2 2 3 2 2 3 2 1 3 4 3 4 9 4 20 16 22 5 3 2 3 4 3 0 38 88 3 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 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 79 79 d 1H J 22 \| 78 78 dd 1H J 22 97 \| 73 73 d 1H J 97 \| 42 41 q 2H J 63 \| 32 31 m 4H \| 26 25 m 4H \| 23 23 s 2H \| 16 15 t 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)OC(=O)N[C@H](COS(C)(=O)=O)c1ccc(F)c(Cl)c1	ir: 9 4 11 5 15 7 7 4 3 2 5 2 2 1 1 1 1 1 2 4 5 5 8 7 5 6 3 7 7 17 15 5 7 11 10 14 6 11 5 3 2 1 1 1 1 1 1 2 2 0 12 6 6 5 10 13 2 2 5 3 2 1 4 5 5 4 5 8 11 5 27 13 6 54 21 1 5 3 3 4 2 2 2 12 3 5 14 67 100 48 12 7 3 2 1 2 6 7 6 8 11 18 22 5 5 1 3 2 3 3 10 3 6 3 3 2 5 4 8 10 3 4 3 6 3 3 3 4 3 5 3 4 3 1 1 1 1 2 3 54 8 2 5 15 64 24 6 3 15 67 18 3 2 4 2 1 1 1 1 1 1 2 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 0 1 1 1 2 2 2 1 1 1 1 2 2 2 2 4 6 6 20 15 10 34 22 24 7 4 2 1 2 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 6 7 22 90 21 9 4 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 ddd 1H J 7 21 30 \| 73 72 m 1H \| 72 71 dd 1H J 80 100 \| 56 56 d 1H J 79 \| 51 51 m 1H \| 45 44 dd 1H J 52 129 \| 43 42 dd 1H J 52 129 \| 31 30 s 3H \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CCCN1CCCC(O)C1	ir: 29 10 28 64 70 55 11 12 12 5 1 11 17 12 5 11 14 5 3 9 9 6 2 9 9 3 2 12 9 5 7 11 8 2 3 11 7 4 4 10 11 2 9 10 7 2 5 11 8 3 10 12 8 2 17 13 9 3 14 14 6 2 7 11 6 1 8 12 6 3 7 12 4 5 11 11 5 5 13 25 51 12 13 22 34 61 89 100 10 4 10 9 3 6 9 9 2 3 10 9 4 15 14 10 0 7 12 7 3 8 14 9 7 9 11 6 5 9 11 10 3 8 9 7 5 11 12 6 4 8 9 4 1 7 9 5 9 7 8 3 2 7 7 2 2 7 7 2 3 8 6 1 3 8 6 1 3 8 6 1 4 8 5 1 4 9 5 0 4 9 5 0 5 9 5 0 5 8 6 74 7 8 4 1 6 8 3 1 6 8 3 2 6 7 3 2 7 7 2 2 7 7 2 3 7 6 2 3 7 6 2 3 8 6 1 5 8 5 1 4 8 5 1 4 9 5 0 4 9 4 0 5 8 4 1 5 8 4 1 5 8 4 1 6 8 3 2 6 7 3 2 6 7 3 2 7 7 3 3 7 6 2 3 7 6 2 3 7 6 2 4 8 8 4 6 12 7 7 6 9 6 2 11 15 7 6 6 10 5 2 5 8 4 2 20 55 13 5 6 8 4 2 6 7 3 2 6 7 3 2 6 7 3 3 6 6 3 3 7 6 2 3 7 6 2 3 7 5 2 4 7 5 2 4 8 5 1 4 8 5 1 5 8 5 1 5 8 4 2 5 7 4 2 5 7 4 2 5 7 4 2 6 7 3 3 6 6 3 3 6 6 3 3 6 6 3 3 6 6 2 3 7 5 2 4 7 5 2 4 7 5 2 4 7 5 2 4 7 5 2; 1HNMR: 39 38 qt 1H J 43 57 \| 37 36 d 1H J 53 \| 30 29 dd 1H J 42 117 \| 28 25 m 7H \| 18 17 m 2H \| 17 16 ddddd 1H J 37 57 70 94 129 \| 16 15 dddd 1H J 58 70 102 127	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(OC(=O)NC[C@@H]1CC[C@@H](C(=O)O)CC1)OC(=O)c1ccccc1	ir: 5 8 7 5 7 12 5 5 7 7 6 50 9 17 8 9 9 3 5 17 29 57 74 17 11 9 22 25 46 27 29 18 14 13 6 2 3 4 4 4 8 13 6 3 4 2 2 2 2 4 3 4 7 15 5 3 3 4 2 1 3 4 4 3 4 4 3 4 10 13 7 4 4 8 6 22 12 23 29 71 8 5 8 6 2 2 6 5 2 2 2 2 2 2 3 3 5 12 7 3 5 5 5 8 13 10 13 7 12 10 11 13 17 34 15 23 8 18 10 9 3 6 13 13 8 7 5 6 5 3 7 5 3 6 15 5 8 5 7 7 9 1 22 100 39 55 30 23 13 49 20 2 2 4 2 0 1 3 2 0 2 3 2 1 1 3 2 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 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 3 4 5 4 8 7 2 4 7 3 4 6 14 12 22 17 48 20 6 4 3 3 2 4 4 19 16 2 2 1 1 2 2 1 2 3 2 4 12 20 60 43 24 12 3 2 2 2 2 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 80 80 m 2H \| 76 75 m 1H \| 75 74 m 2H \| 67 67 t 1H J 49 \| 52 52 t 1H J 63 \| 33 32 ddd 1H J 55 62 128 \| 31 30 ddd 1H J 55 63 130 \| 21 20 dtd 1H J 49 74 147 \| 20 18 m 4H \| 17 15 m 6H \| 15 14 dq 1H J 74 129 \| 14 12 m 2H \| 10 9 t 3H J 74	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1nc(-c2cc[n+]([O-])cc2)c(-c2ccc(F)cc2)[nH]1	ir: 4 2 0 3 4 2 1 4 2 2 1 3 4 3 0 5 6 3 26 12 4 28 21 5 4 5 38 12 16 5 12 7 3 2 10 21 6 5 12 6 4 4 49 100 30 18 7 5 2 2 2 2 2 4 15 21 17 8 3 3 3 3 4 5 2 0 2 3 13 11 10 19 6 5 3 3 2 1 2 2 2 1 2 3 2 5 7 7 2 2 2 2 1 3 3 4 3 3 3 4 14 5 3 2 1 1 3 2 1 1 3 2 1 2 8 13 1 3 6 4 2 9 5 6 49 6 6 11 24 12 6 4 6 17 3 1 1 4 4 18 41 8 10 3 4 17 42 67 7 7 4 16 23 19 8 3 2 4 3 1 1 2 2 1 17 1 1 1 1 2 2 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 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 2 3 3 1 1 3 2 1 2 4 4 8 9 13 21 47 42 62 32 15 8 2 4 6 3 3 2 4 2 1 2 2 1 1 3 3 2 1 3 7 10 9 14 13 60 39 18 5 3 2 1 1 3 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 76 75 m 2H \| 72 71 m 2H \| 44 43 m 2H \| 36 35 m 2H \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(N2CC=C(N3CCCC3)CC2)cc1	ir: 23 12 3 19 25 18 7 15 24 9 3 14 20 8 3 14 20 8 4 16 19 7 4 16 18 17 18 22 17 6 5 18 17 10 16 32 17 26 25 21 15 6 11 20 15 5 9 20 14 1 14 25 12 0 12 37 95 28 46 56 22 8 19 22 13 7 21 44 34 55 34 20 10 4 14 21 8 4 15 18 7 5 16 19 17 28 20 19 22 47 42 20 13 19 24 16 7 12 25 38 13 12 19 18 6 20 28 28 5 14 24 15 4 16 23 13 5 14 22 11 6 14 19 11 6 16 21 9 4 16 20 10 4 15 18 10 23 21 18 6 6 16 17 8 6 20 23 100 68 22 17 11 21 26 15 9 12 19 19 37 18 53 25 2 10 20 12 3 11 20 11 2 12 20 11 3 12 19 10 4 12 16 18 1 13 18 8 4 14 17 8 5 14 16 7 6 15 16 7 6 15 15 6 7 16 14 5 8 16 14 5 8 17 13 5 9 18 13 4 9 18 12 3 10 19 11 3 11 19 11 3 11 18 10 4 12 18 10 4 12 17 9 5 13 17 8 5 14 16 8 6 14 15 8 7 14 15 7 7 15 14 7 8 16 14 6 8 17 14 5 9 17 13 7 12 21 15 8 13 18 13 3 13 25 26 14 40 63 21 10 16 22 13 7 13 19 10 6 13 16 9 6 13 16 8 6 13 15 8 7 14 15 8 7 14 14 7 8 15 14 7 8 15 13 6 9 16 13 6 9 16 12 5 10 17 12 5 10 17 11 4 11 17 11 4 11 17 10 5 12 16 10 5 12 16 9 6 13 16 9 6 13 15 8 7 13 14 8 7 14 14 8 8 14 14 7 8 15 13 7 9 15 13 6 9 15 12 6 10 16 12 6 10 16 11 5 10 17 11 5; 1HNMR: 75 75 m 2H \| 69 68 m 2H \| 53 53 tt 1H J 9 37 \| 37 37 dt 2H J 11 38 \| 35 34 m 2H \| 33 32 ddd 4H J 20 29 46 \| 26 25 ddq 2H J 10 44 63 \| 20 18 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCN(Cc1ccc(OCC(=O)O)c(C)c1)c1cccc(-c2ccc(F)cc2)c1C	ir: 1 1 2 1 0 2 4 1 2 2 2 3 1 3 3 2 2 3 5 8 5 39 15 7 6 3 1 2 1 1 1 1 1 1 1 0 1 2 3 3 2 3 3 1 2 3 5 20 18 3 1 1 4 3 16 22 10 5 1 1 1 1 1 0 1 1 2 3 4 1 2 3 2 1 1 2 3 3 2 15 2 3 2 4 4 5 13 7 4 2 1 8 1 1 1 2 1 2 2 3 3 5 2 1 1 0 0 1 1 1 1 1 2 1 1 1 2 2 3 1 3 2 2 1 1 1 1 2 2 2 1 2 1 1 1 1 2 2 8 12 14 2 3 13 2 17 8 4 3 5 3 5 3 1 1 3 2 1 8 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 1 1 2 1 2 1 1 1 2 1 2 3 5 4 0 16 48 15 4 3 4 3 6 2 7 100 89 8 3 2 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 dd 1H J 12 80 \| 74 74 m 2H \| 73 71 m 4H \| 71 71 ddt 1H J 9 20 88 \| 68 68 d 1H J 88 \| 67 66 dd 1H J 12 74 \| 47 47 s 2H \| 46 45 d 2H J 9 \| 33 33 t 2H J 62 \| 23 23 s 3H \| 22 21 s 3H \| 17 16 qt 2H J 62 76 \| 9 9 t 3H J 77	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOP(=O)(Cc1ccc(C(=O)N2CCc3ccccc32)cc1)OCC	ir: 8 9 1 8 8 2 0 5 5 2 0 6 12 8 10 18 7 5 13 6 3 2 2 3 4 2 2 5 5 1 3 7 14 16 16 6 4 3 13 47 9 5 25 43 9 4 6 6 7 3 2 3 4 2 3 2 3 16 13 25 14 3 3 5 2 17 18 6 8 7 4 7 9 15 13 10 13 23 8 14 50 52 6 5 4 3 11 5 9 5 3 3 2 2 5 4 1 16 5 10 9 2 3 2 0 1 3 2 0 2 3 3 1 24 21 10 4 10 7 6 10 8 5 5 5 19 9 5 5 46 97 3 0 3 4 1 1 12 8 1 1 5 5 2 5 20 38 9 7 21 12 22 11 4 4 2 1 2 2 2 4 3 3 1 1 3 2 0 1 3 1 0 1 3 1 0 1 3 1 1 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 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 2 3 3 4 3 4 4 4 7 4 3 3 5 23 32 7 19 100 36 5 10 7 4 0 3 4 2 1 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 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 1 2 1 0 1 2 1 0; 1HNMR: 77 77 m 2H \| 75 75 dt 2H J 9 81 \| 73 72 td 1H J 18 76 \| 72 71 dt 2H J 14 74 \| 70 70 m 1H \| 43 42 m 6H \| 33 32 dt 2H J 9 119 \| 31 30 m 2H \| 14 13 td 6H J 7 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1ccc(Cl)cc1N1CCNCC1	ir: 1 1 4 1 3 5 15 4 4 3 4 8 3 5 0 2 2 1 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 0 2 0 0 1 1 0 2 2 54 10 5 2 3 2 1 0 0 1 3 7 1 1 1 3 6 2 1 1 3 1 0 1 3 3 20 7 1 0 0 1 2 1 2 3 2 1 4 7 3 1 1 1 1 1 1 1 1 3 3 1 1 0 0 1 1 2 8 4 1 1 2 3 3 3 2 1 0 0 2 1 0 0 1 1 0 6 5 1 1 2 1 0 0 0 0 0 0 0 1 4 1 1 1 1 1 2 1 0 1 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 2 1 2 6 2 1 1 1 0 0 1 4 34 2 1 0 0 0 1 3 2 2 20 100 25 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 s 1H \| 70 70 dd 1H J 22 81 \| 68 68 d 1H J 22 \| 67 67 d 1H J 80 \| 34 33 m 4H \| 31 30 m 4H \| 19 18 p 1H J 32	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O/N=C(\N)c2ccccc2)C1	ir: 7 14 3 7 2 4 5 5 3 9 11 9 7 19 6 9 12 10 2 3 8 5 8 4 10 11 7 4 5 4 14 13 9 13 5 8 13 5 15 3 6 23 5 3 4 2 3 1 2 2 2 2 1 2 2 3 2 2 1 1 2 5 3 2 3 3 2 0 2 7 1 2 2 3 3 5 6 3 2 2 1 2 1 1 1 3 1 1 1 1 0 1 3 1 1 1 2 1 2 2 2 1 1 1 2 1 3 9 4 17 9 4 5 3 4 4 9 12 4 4 4 3 9 10 9 6 1 2 3 6 8 5 2 2 6 3 2 2 2 21 63 16 4 18 50 9 37 10 9 100 45 8 17 10 13 4 3 1 3 2 2 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 2 1 1 2 3 2 2 1 1 5 4 6 17 15 13 10 41 9 2 2 2 1 2 2 1 1 2 1 1 1 2 1 1 4 14 19 4 1 3 13 9 3 3 3 2 8 90 54 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 78 77 m 2H \| 75 74 m 1H \| 74 74 m 2H \| 47 47 s 2H \| 44 44 d 1H J 75 \| 42 42 m 1H \| 28 27 m 1H \| 22 21 m 1H \| 20 17 m 5H \| 17 16 m 1H \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(Cl)c(OCC(=O)NN2CCN(C)CC2)nc2sc(C(=O)NC3CC3)c(N)c12	ir: 2 2 6 2 3 3 2 4 4 2 1 2 3 1 2 4 10 3 5 10 5 2 7 7 4 8 4 3 1 5 4 8 4 2 3 7 3 6 7 17 19 19 9 4 6 39 12 4 8 5 7 1 3 2 5 5 7 3 2 2 1 1 1 2 3 2 4 4 4 2 2 1 1 4 2 3 2 1 2 1 22 3 2 1 4 6 2 3 1 1 2 10 5 1 1 2 2 2 6 5 2 1 1 4 5 12 1 1 5 3 1 1 1 1 1 8 2 1 2 4 3 2 1 1 1 1 2 1 4 4 3 11 5 5 8 5 23 10 2 1 1 1 6 3 2 8 1 27 10 11 7 0 5 3 46 4 16 16 100 18 5 8 10 1 2 2 2 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 1 2 1 1 1 1 1 2 1 4 12 6 2 1 1 1 1 2 1 1 1 2 1 1 1 2 1 2 1 2 2 22 16 3 3 4 22 22 7 3 3 2 3 8 59 11 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 89 s 1H \| 73 72 s 2H \| 72 71 d 1H J 70 \| 48 48 s 2H \| 31 30 m 6H \| 27 26 ddd 4H J 10 36 55 \| 24 24 s 3H \| 23 23 s 3H \| 10 9 m 2H \| 7 6 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NC1N=C(c2ccccc2)c2cc(I)ccc2NC1=S)OCc1ccccc1	ir: 1 4 2 3 2 5 2 15 7 3 27 29 2 2 6 3 3 9 11 4 4 3 11 12 12 13 11 4 23 28 41 67 15 5 1 7 15 6 5 32 24 65 45 9 17 19 9 3 1 3 2 8 30 29 26 3 2 1 1 2 2 3 1 2 7 5 8 3 20 14 4 1 1 2 1 8 6 12 12 5 2 1 2 1 1 3 4 3 8 8 1 3 2 1 0 3 6 6 2 3 2 6 7 4 2 2 2 3 0 2 4 9 4 5 5 3 4 8 38 5 22 8 4 5 19 6 10 1 0 2 1 1 1 2 12 21 2 2 2 1 10 32 23 50 84 47 94 20 5 31 29 12 10 3 3 2 0 1 1 1 2 3 17 0 2 2 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 1 2 2 1 1 2 2 3 3 6 7 8 20 100 64 9 12 3 2 3 2 2 2 2 1 1 1 2 1 1 2 2 2 2 8 16 34 27 80 29 5 3 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 78 78 dd 1H J 22 77 \| 77 77 m 2H \| 76 75 m 2H \| 75 74 m 4H \| 74 73 m 6H \| 59 59 d 1H J 86 \| 51 51 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc2[nH]cc(CCCN3CCN(c4ccc(N5CCCNC5=O)cc4)CC3)c2c1	ir: 19 11 13 5 4 4 3 4 4 9 7 4 3 4 3 2 2 5 6 7 5 15 3 17 28 32 15 2 0 29 4 3 4 3 3 3 5 36 8 14 44 13 4 4 3 7 7 2 2 4 2 2 12 5 7 35 6 6 8 10 4 6 6 1 4 7 6 6 13 4 27 4 4 4 3 12 3 4 2 3 65 3 5 31 2 10 2 22 4 3 4 2 4 3 4 4 5 5 1 9 5 12 9 4 7 4 19 12 37 5 5 16 10 4 1 3 2 2 6 17 16 4 2 6 4 4 1 3 5 3 16 4 3 2 3 3 32 7 7 4 6 11 3 14 3 2 3 1 3 10 32 16 21 18 12 1 32 10 4 3 2 2 1 3 2 0 1 3 2 0 2 3 1 0 1 3 1 0 1 3 1 0 8 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 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 1 2 2 2 2 2 4 4 3 3 4 3 4 2 4 4 8 8 5 28 56 23 10 14 6 5 12 6 1 2 2 2 2 3 2 1 1 4 2 3 2 2 3 51 12 18 100 14 3 3 2 1 2 3 2 0 1 2 3 3 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2; 1HNMR: 91 91 d 1H J 70 \| 80 79 d 1H J 22 \| 75 74 dd 1H J 22 59 \| 74 73 d 1H J 58 \| 72 72 m 2H \| 71 71 dq 1H J 8 71 \| 69 69 m 2H \| 64 63 t 1H J 41 \| 39 38 m 2H \| 33 32 m 4H \| 32 32 q 2H J 44 \| 29 28 td 2H J 8 82 \| 28 27 m 4H \| 26 25 t 2H J 62 \| 20 19 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NC1(CO)CCCCC1)c1ccc(Cl)nc1	ir: 2 1 1 4 2 1 1 1 2 1 1 2 2 2 1 2 2 1 1 2 3 4 3 5 3 2 2 3 4 4 7 2 3 3 2 2 2 2 2 6 10 26 8 2 6 2 3 3 2 1 2 2 4 4 2 2 2 3 1 2 1 1 1 2 2 1 1 2 1 3 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 3 2 2 2 6 15 13 4 7 5 3 4 3 3 1 2 2 3 2 2 4 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 18 1 2 2 1 1 2 1 1 1 11 6 2 8 4 2 2 2 10 3 3 2 4 4 2 1 1 2 1 22 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 1 1 2 2 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 2 2 2 1 2 2 2 1 2 2 2 2 5 4 3 8 14 26 100 77 47 13 8 6 2 0 2 2 1 1 2 2 1 1 2 2 1 1 3 9 7 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 2 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 90 90 d 1H J 19 \| 81 80 dd 1H J 19 81 \| 74 74 d 1H J 80 \| 67 67 s 1H \| 45 44 t 1H J 57 \| 37 36 d 2H J 57 \| 20 19 m 2H \| 17 14 m 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCCc1cn(C)c2ccc(CC(CC3NC(=O)OC3CN3CCCCC3=O)C(C)C)cc12	ir: 5 5 8 5 3 10 9 8 4 9 2 13 14 24 8 11 11 7 5 7 8 3 6 5 5 5 8 4 2 3 2 2 1 2 3 3 5 2 2 1 1 2 2 1 2 3 5 5 4 5 3 8 5 11 18 2 2 3 1 0 3 4 4 7 2 6 5 23 6 8 5 5 4 7 7 3 3 5 5 6 2 2 1 1 6 5 1 1 3 2 3 1 2 6 1 1 2 4 2 4 3 9 4 5 5 11 3 8 9 8 4 6 8 11 7 14 13 28 8 6 7 6 15 18 14 8 6 11 7 6 2 5 3 3 4 4 4 1 1 1 2 0 0 1 2 1 2 5 14 12 4 8 8 6 59 100 5 5 3 1 1 1 1 3 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 1 2 3 1 4 8 6 5 4 3 3 5 5 4 6 18 11 6 17 9 11 46 5 2 2 2 0 1 2 1 1 2 2 1 1 2 1 1 2 2 4 12 41 26 16 3 4 5 1 1 0 1 1 0 1 2 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 73 73 dd 1H J 12 21 \| 72 72 d 1H J 80 \| 70 69 m 1H \| 69 69 s 1H \| 58 57 d 1H J 71 \| 47 47 dt 1H J 31 53 \| 40 39 m 2H \| 38 37 s 3H \| 37 36 dd 1H J 31 130 \| 34 34 t 2H J 62 \| 34 33 dt 1H J 49 121 \| 33 33 s 3H \| 33 32 dd 1H J 50 121 \| 29 28 m 3H \| 26 25 ddt 1H J 9 80 130 \| 24 23 m 2H \| 19 19 tt 2H J 61 74 \| 18 15 m 8H \| 9 8 dd 3H J 14 62 \| 8 8 dd 3H J 14 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C1=NCCCC12CCCCC2	ir: 6 4 34 24 6 8 8 6 6 4 7 8 9 7 2 14 5 1 1 2 3 2 1 7 5 2 3 7 7 16 1 8 19 7 3 3 3 4 12 19 8 3 3 4 7 3 5 3 3 3 8 5 4 4 4 6 11 32 28 23 45 18 4 4 3 3 6 8 47 52 6 4 1 0 2 2 1 0 2 3 2 10 8 4 1 3 4 41 30 21 6 23 9 13 10 6 1 2 5 4 5 11 19 4 3 7 15 19 37 45 58 31 66 39 59 13 3 22 17 17 6 9 14 14 16 8 11 5 5 6 7 4 7 9 5 10 4 2 3 2 1 2 2 2 1 2 2 1 1 2 3 6 100 6 17 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 2 2 3 2 2 3 5 3 19 22 20 30 21 7 5 5 8 10 40 66 15 9 7 3 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 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 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 76 76 hept 1H J 10 \| 34 33 m 2H \| 18 17 m 4H \| 16 15 m 4H \| 15 14 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)n1ncnc1-c1nc2c(s1)CCOc1ccc(Br)cc1-2	ir: 2 1 1 4 1 2 1 1 1 2 1 1 2 1 2 7 6 2 3 5 2 1 1 2 2 1 1 1 2 5 1 1 3 16 2 1 2 2 20 2 1 1 1 1 3 7 3 4 7 3 4 4 2 1 18 0 6 4 1 0 1 2 2 4 3 4 5 7 2 2 2 2 2 9 8 10 7 10 9 4 3 2 2 21 2 1 2 1 2 7 2 4 1 6 5 1 1 2 5 18 13 6 9 4 3 4 3 7 3 4 7 17 8 6 2 2 5 7 9 11 12 7 23 3 2 6 4 3 7 3 2 3 2 1 1 1 1 1 1 1 1 1 1 4 2 1 2 1 1 11 1 1 1 3 3 1 1 0 1 15 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 2 3 7 6 4 4 5 3 4 4 5 5 5 7 11 8 16 100 20 16 9 10 4 4 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: 81 80 s 1H \| 76 75 d 1H J 26 \| 74 74 dd 1H J 26 88 \| 69 69 d 1H J 89 \| 49 48 hept 1H J 49 \| 44 44 t 2H J 62 \| 31 31 t 2H J 62 \| 16 16 d 6H J 49	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(OCCN4CCNCC4)cc3C)cc12	ir: 5 4 4 2 2 3 2 4 1 4 3 6 4 2 4 8 2 2 2 4 2 4 2 3 3 2 5 9 20 11 11 7 6 7 2 4 6 3 3 5 5 2 5 12 4 2 2 3 2 3 8 4 4 3 16 8 11 19 14 11 4 4 4 3 3 4 4 16 7 13 8 5 9 6 2 1 1 2 1 1 7 12 2 1 1 2 4 4 3 5 5 3 1 2 1 4 3 3 1 2 1 1 0 1 2 1 2 3 4 17 29 6 1 33 2 10 3 2 4 7 9 6 3 3 4 2 4 7 12 9 4 6 1 3 3 1 1 2 1 0 1 1 2 2 4 6 12 10 3 7 11 100 25 4 7 6 20 3 3 3 1 1 3 7 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 2 1 1 2 1 1 2 2 2 2 6 5 4 17 13 5 7 3 2 1 1 1 1 1 1 0 1 2 1 1 3 8 21 29 15 4 2 2 1 1 1 1 1 5 7 12 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 dt 1H J 7 17 \| 81 80 d 1H J 86 \| 80 80 dq 1H J 8 16 \| 78 77 m 1H \| 74 73 m 1H \| 70 69 dt 1H J 9 87 \| 67 67 m 2H \| 67 67 s 2H \| 41 41 t 2H J 59 \| 30 30 p 1H J 33 \| 30 28 m 11H \| 26 26 m 4H \| 25 25 d 3H J 9 \| 23 22 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(N(C(=O)CCl)C2CC2)c1	ir: 8 3 1 3 5 3 2 3 6 3 0 3 5 2 2 4 4 4 16 15 9 2 2 7 6 4 3 6 8 2 11 11 23 33 16 22 5 10 8 11 13 6 8 18 13 17 24 24 14 1 3 10 7 2 2 6 3 0 3 6 4 2 4 9 4 12 11 17 15 17 10 4 4 5 10 8 3 2 11 21 6 5 8 6 2 3 9 8 3 2 7 5 7 7 7 4 2 3 6 8 4 3 5 6 3 5 9 6 3 3 6 3 1 6 11 24 33 7 6 4 2 3 8 6 3 6 9 29 32 11 7 4 2 4 4 3 2 3 4 2 7 11 5 3 3 6 100 69 22 17 8 7 14 6 6 37 27 8 4 2 7 48 24 1 3 6 3 0 2 5 3 0 2 5 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 1 1 3 3 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 0 2 4 2 0 2 4 2 0 2 4 2 0 3 4 2 0 3 4 2 1 3 4 2 1 3 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 3 1 2 4 4 2 4 5 5 4 4 6 6 5 8 15 25 7 19 81 73 25 13 12 6 5 4 3 3 2 3 4 2 2 3 4 2 2 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 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; 1HNMR: 72 72 t 1H J 79 \| 72 71 ddd 1H J 13 20 77 \| 69 69 t 1H J 21 \| 69 68 ddd 1H J 13 21 79 \| 42 41 p 1H J 62 \| 38 38 s 3H \| 38 37 s 2H \| 13 12 m 2H \| 11 10 dddd 2H J 8 63 73 85	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC1CC(NC(=O)OC(C)(C)C)CN(C(=O)OCc2ccccc2)C1	ir: 6 6 5 7 4 5 7 9 9 11 6 13 5 4 5 2 1 2 2 1 2 3 4 2 1 4 46 100 51 10 1 11 9 3 3 4 2 13 3 5 15 2 2 2 3 3 1 1 5 3 2 2 2 2 2 2 1 2 1 1 1 5 3 3 4 1 1 1 2 2 2 2 2 1 1 1 2 3 6 7 1 1 1 1 1 1 2 2 4 2 2 2 2 2 1 2 4 10 11 4 2 4 1 6 7 4 11 12 9 5 8 5 4 7 2 3 1 4 9 7 15 7 7 9 8 6 3 7 10 9 10 11 13 10 16 30 3 4 3 2 2 4 8 8 7 21 22 17 8 67 32 6 3 0 1 2 2 2 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 2 1 1 2 2 2 1 2 3 3 3 3 2 2 2 2 6 10 12 27 7 10 22 9 9 3 1 2 2 1 0 1 3 1 3 3 3 1 1 1 2 1 0 3 5 4 77 37 17 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 m 6H \| 52 51 s 2H \| 51 51 d 2H J 75 \| 40 39 dtt 2H J 37 66 75 \| 37 37 dd 2H J 38 120 \| 35 34 dd 2H J 37 120 \| 22 21 dt 1H J 66 143 \| 19 18 dt 1H J 66 143 \| 14 14 s 16H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cc1cccc(Sc2c(C)n(-c3cnn(CC)c3)c3cc(Cl)ccc23)c1	ir: 8 12 14 17 6 9 11 9 9 6 22 13 13 10 3 4 2 1 1 3 3 3 3 1 1 3 3 4 4 3 4 16 3 2 9 4 2 2 2 2 3 4 5 4 3 8 22 6 20 8 6 5 22 50 25 22 2 4 5 2 2 7 3 7 7 6 26 31 18 12 5 3 11 8 5 6 5 5 5 4 2 2 3 2 5 20 9 4 5 5 11 23 8 4 0 10 15 4 7 10 4 7 26 9 6 2 1 1 3 2 1 4 4 5 15 10 12 6 8 16 27 8 9 10 15 13 8 8 17 15 6 25 13 21 9 5 3 3 4 8 28 4 8 8 18 7 17 3 2 3 15 23 7 6 29 6 3 2 3 5 3 0 3 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 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 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 2 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 4 2 3 4 2 1 5 6 5 6 5 10 9 17 25 18 58 63 100 31 10 38 13 4 5 6 3 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 d 1H J 80 \| 77 77 s 1H \| 76 75 d 1H J 22 \| 74 73 m 4H \| 73 72 dd 1H J 22 79 \| 72 71 m 1H \| 42 41 q 2H J 66 \| 39 38 qd 2H J 9 50 \| 36 36 t 2H J 8 \| 25 24 s 2H \| 14 13 t 3H J 50 \| 13 12 t 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1sc(Br)cc1S(=O)(=O)NC1CCS(=O)(=O)CC1	ir: 4 4 17 6 5 21 13 8 9 3 5 6 15 5 1 2 2 1 1 1 1 1 1 1 1 1 2 1 2 3 5 2 1 1 1 2 4 2 1 1 2 1 2 4 5 12 40 10 5 4 82 2 12 6 4 3 3 2 2 6 6 4 7 8 6 4 51 11 4 1 2 1 2 1 2 2 1 2 2 2 3 12 100 10 9 5 100 14 11 5 3 7 11 9 3 2 0 2 2 9 11 6 30 29 4 3 6 4 5 7 5 3 2 5 3 2 2 3 5 5 10 11 3 2 1 2 4 3 1 3 9 11 11 2 2 1 2 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 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 6 6 2 2 2 2 2 4 8 9 13 6 3 7 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 2 2 6 3 4 2 2 3 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 72 72 s 1H \| 61 61 d 1H J 93 \| 38 36 dp 1H J 64 93 \| 32 30 dddd 4H J 75 101 150 482 \| 27 26 s 2H \| 23 22 dddd 2H J 64 75 101 137 \| 21 19 dddd 2H J 64 76 102 137	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(NC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C2CC2)c1=O)(C(=O)O)c1cccc(C(F)(F)F)c1	ir: 10 7 16 10 8 7 8 5 13 13 8 9 20 7 13 6 13 11 12 3 4 6 7 7 1 2 3 1 3 5 4 13 12 10 7 10 5 4 3 6 3 3 3 2 6 10 48 34 21 15 7 4 11 6 75 18 9 5 9 10 5 5 3 4 6 15 14 13 8 15 3 7 5 2 1 1 2 4 4 5 4 6 13 19 32 49 11 10 13 3 2 20 5 6 10 2 8 8 21 18 15 17 3 3 3 2 1 2 3 12 6 11 7 5 26 11 18 17 13 10 37 7 5 5 3 4 5 9 42 17 16 5 12 12 13 21 8 5 4 28 42 38 72 22 29 13 13 7 31 46 5 5 15 6 13 3 10 5 2 1 1 1 1 2 3 1 1 1 1 6 5 5 8 2 1 1 1 1 1 1 1 0 1 1 1 2 2 2 4 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 0 0 0 1 0 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 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 2 4 6 4 2 3 5 3 3 2 3 3 8 9 46 45 43 45 100 81 68 18 6 8 16 6 20 24 14 4 3 3 2 1 2 3 1 2 2 1 2 13 29 25 5 3 1 1 1 0 0 1 1 0 1 2 1 0 1 2 1 0 0 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 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 80 79 s 1H \| 78 77 m 3H \| 76 75 dt 1H J 17 98 \| 75 74 m 4H \| 47 46 m 2H \| 42 42 p 1H J 59 \| 20 19 s 3H \| 14 13 m 2H \| 11 10 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1c(OC)cc(C=Cc2cccc(F)c2)cc1OC	ir: 0 0 1 0 1 1 1 1 0 1 1 0 0 0 1 1 1 1 0 1 0 1 3 2 0 0 0 1 1 1 2 2 1 1 0 0 0 1 0 0 0 1 1 0 2 12 12 7 7 1 0 1 0 0 0 0 1 2 1 0 4 2 1 2 1 1 13 7 3 3 5 1 1 2 12 7 1 2 3 1 1 1 0 0 1 0 0 0 1 2 1 1 1 1 0 0 1 1 1 1 4 1 1 0 1 8 2 1 2 1 0 1 1 1 1 1 0 2 1 1 1 1 0 1 2 1 1 1 1 0 0 1 1 0 1 0 1 1 2 2 4 3 1 1 1 0 0 1 1 0 0 1 3 4 1 1 2 7 3 1 1 7 6 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 2 0 1 1 1 1 3 2 6 6 2 7 100 17 7 3 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 2H \| 73 72 dt 1H J 22 123 \| 71 71 d 1H J 156 \| 70 70 m 2H \| 67 67 s 2H \| 39 39 s 5H \| 28 27 t 2H J 66 \| 17 16 dtd 2H J 66 75 140 \| 11 10 t 3H J 75	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1Nc2cc(N)c(C(F)(F)F)cc2NC1=O	ir: 27 31 35 35 34 18 14 12 9 17 14 12 11 7 5 9 9 4 6 5 2 3 4 3 4 10 8 5 13 37 26 16 9 8 7 17 12 10 18 11 5 4 3 2 3 7 4 1 3 4 2 4 4 4 2 0 3 4 3 2 3 4 2 4 6 8 22 65 20 11 3 1 5 10 8 4 6 7 4 2 7 26 3 2 4 3 1 1 2 3 3 2 5 3 1 1 10 33 9 7 29 31 4 7 5 4 1 2 3 4 9 2 4 3 4 5 9 5 3 3 3 24 11 3 4 4 5 4 11 3 1 4 20 17 1 2 3 2 1 3 11 25 16 16 29 16 4 4 2 1 3 5 3 5 9 34 11 100 91 54 6 1 3 5 3 8 6 3 2 1 2 3 1 0 2 3 1 0 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 2 2 0 1 2 1 0 1 3 1 0 1 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 2 1 3 2 1 1 2 2 1 1 3 2 1 2 3 2 2 2 3 4 1 3 5 3 3 7 5 9 9 12 5 2 1 2 3 2 1 2 4 2 2 3 3 2 3 3 53 35 7 11 11 12 26 38 45 17 3 13 80 67 12 4 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 93 93 s 1H \| 77 77 q 1H J 20 \| 65 64 s 1H \| 64 63 d 1H J 79 \| 50 49 d 1H J 77 \| 48 48 s 2H \| 43 42 m 2H \| 13 12 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(Cc1ccncn1)C(=O)Nc1ccc(I)cc1F	ir: 1 8 4 6 11 7 4 4 7 7 5 2 4 4 11 5 3 4 2 7 19 4 4 1 1 3 5 2 5 16 12 9 12 24 46 100 19 7 7 24 31 23 7 4 13 30 12 14 9 4 3 9 3 3 14 26 20 17 4 2 2 5 2 5 6 5 22 22 3 6 10 8 22 20 10 5 5 10 3 3 4 4 2 1 2 2 1 2 4 6 16 19 2 4 7 11 19 11 8 3 2 5 23 5 5 4 1 3 1 3 6 22 9 19 23 15 11 5 9 7 1 22 22 15 7 5 1 3 7 4 2 3 4 3 6 21 30 15 4 5 5 2 6 4 88 31 50 56 26 22 10 21 23 53 7 3 4 21 24 3 2 6 2 0 1 2 1 0 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 5 5 5 2 3 4 11 16 4 6 13 15 17 60 31 10 3 3 4 3 1 2 2 1 1 1 1 1 1 1 2 2 2 2 7 26 44 50 11 6 3 2 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 95 95 d 1H J 33 \| 91 90 t 1H J 16 \| 87 86 dd 1H J 16 42 \| 76 75 dd 1H J 22 73 \| 75 74 dd 1H J 22 121 \| 74 74 dd 1H J 47 74 \| 71 70 ddt 1H J 9 15 42 \| 43 41 m 2H \| 40 40 t 1H J 78 \| 34 33 ddd 1H J 8 78 157 \| 31 30 ddd 1H J 8 78 157 \| 13 12 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C(=O)O)c1cnc(NS(C)(=O)=O)c(F)c1	ir: 4 6 7 34 9 4 2 4 5 5 3 4 8 10 4 6 10 6 13 12 13 24 100 12 34 19 6 4 5 5 10 5 6 4 7 7 8 11 5 6 5 11 13 8 21 32 15 12 12 26 10 8 15 21 17 13 8 4 13 9 8 3 3 3 3 4 9 5 12 77 19 8 8 16 6 8 16 5 46 29 12 14 5 7 19 28 31 35 53 10 8 5 6 10 6 27 44 7 4 10 31 28 26 8 9 17 5 5 6 4 0 18 51 17 7 3 4 6 6 6 4 19 18 5 8 3 6 7 9 7 4 4 3 4 16 34 5 5 5 5 9 22 7 44 10 10 12 34 6 4 3 3 3 7 24 5 3 3 3 5 26 3 3 2 2 2 2 2 2 2 2 3 2 2 3 3 3 2 2 2 2 2 2 3 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 2 2 2 2 2 2 2 2 2 2 3 2 2 3 2 2 2 2 3 3 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 3 2 2 2 2 3 3 3 3 3 3 4 5 5 3 3 3 3 3 3 3 4 4 6 6 6 24 14 5 11 20 16 4 3 3 3 3 5 5 12 52 5 4 4 3 2 3 3 3 3 2 4 4 3 4 6 26 78 13 6 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 100 99 d 1H J 42 \| 79 79 dd 1H J 7 17 \| 76 75 m 1H \| 40 39 m 1H \| 30 30 s 3H \| 16 15 d 3H J 77	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(-c2cc(NCCc3ccc(Cl)cc3)nc(N)n2)c1Cl	ir: 3 6 4 6 10 3 5 4 2 2 2 3 3 3 3 2 4 2 1 2 4 2 5 5 2 2 1 2 2 2 1 1 3 4 3 9 22 13 7 11 5 4 4 3 2 3 3 22 2 2 1 2 2 1 3 8 2 1 1 1 1 1 1 1 2 3 5 6 8 2 3 3 2 2 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 2 4 1 1 1 1 1 1 2 1 1 1 2 3 3 1 1 1 1 2 2 1 2 1 2 2 1 2 1 1 3 2 1 2 5 6 3 7 9 5 10 17 8 27 9 8 4 3 3 3 4 9 3 4 2 0 26 6 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 9 15 7 3 4 2 2 2 2 2 1 1 1 1 1 2 1 1 4 5 11 3 3 3 5 6 21 4 1 1 3 6 100 3 0 0 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 76 dd 1H J 12 83 \| 74 73 m 4H \| 72 71 dp 2H J 9 80 \| 65 64 s 1H \| 62 62 t 1H J 46 \| 59 59 s 2H \| 36 35 td 2H J 46 61 \| 29 29 tt 2H J 9 61 \| 23 23 d 3H J 6	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc2nc(-c3ccccc3Cl)nc(N3CCN(C(C)=O)CC3)c12	ir: 7 2 4 7 8 5 4 7 6 6 7 8 3 5 3 4 2 2 3 11 10 10 9 14 14 15 12 15 11 4 13 74 30 19 30 13 22 9 3 4 3 6 38 9 5 7 3 3 4 2 3 10 10 23 79 15 12 9 15 8 4 11 14 14 3 8 4 7 10 8 11 6 4 11 10 8 3 1 10 23 55 12 9 24 7 16 11 3 16 10 4 4 1 3 4 3 7 9 8 8 4 3 3 3 3 3 11 14 23 15 8 4 6 4 6 3 5 13 44 16 5 4 9 9 5 29 13 6 4 26 39 12 5 22 7 12 9 16 11 54 11 81 13 14 23 22 19 39 17 26 5 0 18 14 4 2 2 4 6 15 30 15 8 100 5 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 4 2 2 2 1 2 3 2 3 3 5 4 7 9 19 24 14 20 75 70 7 5 4 4 2 2 1 2 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 dd 1H J 15 91 \| 78 78 dd 1H J 11 75 \| 75 74 m 4H \| 70 70 dd 1H J 13 84 \| 39 39 s 2H \| 37 36 m 4H \| 34 34 m 4H \| 21 21 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1(C)COC(=O)N(C(=O)OC(C)(C)C)C1	ir: 6 3 12 3 1 5 3 2 4 26 8 10 12 14 6 11 11 100 18 10 8 6 3 5 7 15 3 2 0 2 1 0 4 1 1 1 1 1 1 2 2 5 3 1 0 1 0 0 0 1 1 1 3 2 1 0 4 3 1 1 4 6 7 5 5 2 6 11 3 4 1 1 1 1 4 1 1 1 0 1 2 7 9 10 1 1 1 3 6 3 1 3 9 1 2 1 1 3 3 1 1 1 6 2 2 10 1 1 2 2 2 6 16 6 3 21 14 7 16 13 13 3 5 2 5 15 8 18 17 10 33 19 5 11 2 1 1 2 1 1 0 1 8 3 1 71 2 11 18 11 2 2 2 5 72 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 5 2 1 1 2 1 1 2 1 1 3 4 11 39 6 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 46 46 d 1H J 113 \| 44 44 d 1H J 126 \| 44 43 d 1H J 114 \| 42 41 m 4H \| 15 15 s 8H \| 13 13 s 3H \| 13 12 t 4H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(CC1COC(c2ccccc2)OC1)OC(=O)c1ccccc1	ir: 5 3 4 3 1 2 2 4 2 4 5 9 25 9 3 1 3 0 1 1 1 1 2 1 6 3 1 1 3 14 80 19 15 13 3 1 2 7 8 20 100 41 8 6 3 0 3 2 1 3 2 2 1 3 1 1 2 7 6 10 4 4 2 6 4 2 5 16 7 14 5 2 5 7 4 6 9 19 43 28 6 5 5 5 3 1 1 6 3 1 1 2 3 1 1 2 7 4 4 2 1 2 1 1 2 2 9 3 6 5 10 8 9 16 11 8 11 13 6 7 13 5 7 15 9 3 4 2 3 6 4 2 3 7 51 36 4 3 2 2 1 8 36 49 14 23 16 14 8 3 1 1 2 2 3 0 1 1 0 0 2 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 2 1 1 1 5 2 2 2 1 4 7 7 13 21 18 34 70 85 29 6 6 2 1 1 4 1 2 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 m 2H \| 76 75 m 1H \| 75 74 m 4H \| 74 73 m 3H \| 55 55 d 1H J 10 \| 50 49 m 1H \| 39 38 m 2H \| 37 36 m 2H \| 21 20 m 2H \| 19 18 m 1H \| 13 13 d 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](NC(=O)C1=C(O)c2cc(Cl)ccc2C2(CCOCC2)C1=O)C(=O)O	ir: 0 2 1 2 1 1 2 1 1 3 2 1 4 2 1 2 2 1 1 2 6 23 8 2 2 2 3 1 1 1 2 3 1 1 3 1 3 1 1 6 2 2 5 1 1 1 1 2 2 1 1 1 2 3 5 7 3 2 2 3 1 4 1 1 1 2 1 1 1 2 2 2 2 2 4 2 2 2 5 4 1 1 1 2 2 1 8 3 2 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 4 2 2 1 2 1 1 2 3 1 2 2 2 3 3 2 1 1 1 1 1 0 2 2 2 1 1 1 1 3 1 1 1 4 14 3 3 3 3 2 5 2 3 2 1 2 5 1 1 9 1 0 0 1 1 2 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 1 0 0 0 1 0 0 0 1 1 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 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 3 3 2 8 2 2 1 0 1 3 1 4 100 11 5 2 1 0 1 1 1 0 1 1 0 2 1 5 5 2 6 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 90 89 d 1H J 88 \| 79 79 d 1H J 22 \| 74 73 m 2H \| 43 42 dq 1H J 64 88 \| 39 38 ddd 2H J 38 66 115 \| 38 37 ddd 2H J 38 66 115 \| 25 24 ddd 2H J 39 66 143 \| 22 22 ddd 2H J 38 66 143 \| 14 14 d 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2cc(CCCN3CCN(Cc4ccccc4)CC3)on2)c(OC)c1	ir: 2 2 6 4 1 3 6 4 2 3 3 1 2 3 3 3 8 4 3 2 1 3 5 3 2 3 6 3 2 2 4 3 1 3 2 2 3 7 7 4 14 14 3 4 4 2 3 1 12 4 2 0 3 9 17 29 10 9 3 10 7 10 8 3 3 6 16 8 13 5 13 8 20 22 9 11 4 7 4 11 11 3 7 11 29 7 7 3 2 12 2 1 2 1 2 4 7 4 5 10 8 7 3 5 3 2 1 2 2 2 1 7 4 3 1 3 3 2 2 3 4 6 1 3 5 3 2 3 4 6 7 3 3 18 4 20 5 3 2 2 2 3 8 16 3 3 8 7 2 2 12 6 6 64 3 4 13 3 1 2 1 0 2 46 2 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 5 5 4 1 2 4 2 1 2 14 15 4 22 100 41 59 12 6 3 4 2 0 2 2 1 0 2 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1; 1HNMR: 77 77 d 1H J 89 \| 73 72 m 6H \| 68 68 dd 1H J 24 90 \| 66 65 d 1H J 23 \| 60 60 t 1H J 9 \| 39 39 s 2H \| 38 38 s 2H \| 37 36 d 2H J 8 \| 29 28 td 2H J 8 85 \| 27 27 m 4H \| 26 26 m 4H \| 25 25 t 2H J 61 \| 19 18 tt 2H J 61 85	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(Nc2nc(NCC(F)(F)F)c3ccnc-3[nH]2)cc1	ir: 2 2 6 6 3 3 3 4 10 10 8 9 45 9 8 10 6 3 10 7 12 17 47 24 6 9 6 5 6 21 15 3 6 13 2 3 3 2 4 2 5 5 2 2 3 4 47 11 6 3 2 2 2 3 4 9 17 1 3 4 1 1 3 1 1 0 1 2 1 2 2 2 1 1 4 5 4 5 9 18 7 2 2 1 1 1 2 2 4 2 2 1 2 11 2 3 2 2 2 2 2 3 8 4 3 11 5 2 1 7 3 1 1 2 4 6 4 8 4 4 3 2 8 16 7 5 3 2 10 3 3 8 4 3 3 4 1 2 3 6 8 22 14 25 9 10 2 4 1 4 7 40 8 5 9 5 100 7 1 5 2 0 1 1 52 2 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 7 19 9 13 2 4 3 1 3 4 2 85 2 2 1 2 1 2 2 3 3 3 4 10 7 6 25 90 48 19 5 3 3 3 2 2 1 1 2 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 98 98 s 1H \| 90 90 s 1H \| 80 79 m 2H \| 79 79 d 1H J 71 \| 78 78 tq 1H J 24 50 \| 76 75 m 3H \| 41 40 qd 2H J 53 130	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CNc1ccc(C(F)(F)F)nn1	ir: 6 11 3 8 1 5 8 8 31 31 31 8 23 13 10 8 4 5 23 11 7 9 3 11 5 5 3 1 3 6 1 6 3 1 8 3 5 2 2 1 2 3 4 2 2 2 3 1 3 2 3 8 7 46 15 4 2 3 6 3 1 2 2 1 1 3 13 5 1 0 1 1 1 3 2 1 3 1 1 1 1 0 1 1 1 3 4 3 2 4 9 3 1 2 1 3 1 10 22 3 4 2 14 5 2 2 4 9 7 6 0 4 14 61 17 3 3 2 7 5 0 10 23 6 11 10 9 13 5 7 6 6 5 8 3 8 9 7 4 8 14 3 2 4 3 5 20 39 100 24 17 81 3 4 1 0 1 3 7 14 3 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 1 0 1 1 1 1 1 3 2 2 3 2 2 2 1 1 1 3 3 8 20 8 17 15 16 8 3 2 2 1 1 1 1 2 1 1 1 1 0 1 1 4 1 4 3 9 19 12 84 48 15 10 7 3 6 5 2 2 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 dq 1H J 22 67 \| 70 70 d 1H J 70 \| 64 64 t 1H J 60 \| 39 37 m 3H \| 37 36 ddd 1H J 61 69 133 \| 35 35 dd 1H J 46 111 \| 19 19 ddd 1H J 47 65 130 \| 17 16 ddd 1H J 38 74 132 \| 15 14 s 8H \| 12 10 m 2H \| 9 8 m 1H \| 7 6 td 1H J 59 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CC(=O)Nc2ccsc2C(=O)NNC(C)=O)cc1	ir: 1 2 1 1 1 1 1 2 13 2 1 1 0 1 3 2 3 5 3 3 4 2 9 5 1 1 2 4 4 7 1 3 4 20 4 2 3 2 1 3 2 3 5 8 4 12 3 4 6 2 3 12 5 3 9 7 17 3 19 66 17 25 11 3 3 2 2 2 2 3 5 1 2 1 0 1 3 4 0 0 0 0 1 2 1 1 3 3 2 1 1 1 1 1 0 0 2 4 0 2 6 2 1 0 0 1 1 1 0 0 1 1 1 1 0 1 1 2 2 6 6 3 2 1 1 3 6 2 1 1 2 2 3 2 2 1 7 39 1 3 5 1 43 2 4 15 28 11 9 23 4 3 14 13 1 4 4 2 6 22 4 2 1 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 3 1 0 0 1 1 2 2 4 5 2 10 28 7 41 28 7 2 1 1 1 1 1 1 1 0 1 1 1 1 1 2 5 5 10 42 100 29 7 1 2 1 1 1 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 99 99 d 1H J 59 \| 94 94 s 1H \| 77 77 d 1H J 55 \| 75 75 d 1H J 55 \| 74 73 dt 2H J 9 84 \| 69 69 m 2H \| 38 38 s 3H \| 37 37 t 2H J 9 \| 20 20 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)NCC1CN(c2ccc(-c3ccc(CNCc4c[nH]nn4)cc3)c(F)c2)C(=O)O1	ir: 4 3 6 5 2 3 3 8 11 4 12 2 3 1 1 10 4 2 1 3 3 3 1 3 2 5 4 2 4 12 12 24 18 7 3 4 5 1 1 3 4 5 11 30 26 2 9 7 5 2 3 5 6 5 17 6 10 5 7 3 8 8 4 6 2 4 19 7 3 8 8 6 6 2 1 4 2 1 1 1 1 2 18 6 1 1 1 1 4 6 9 2 4 9 5 34 8 4 6 2 1 2 1 2 2 5 12 3 2 5 9 11 81 11 7 4 3 4 2 4 3 6 8 8 5 3 5 29 3 14 7 5 11 5 2 2 3 2 2 4 13 3 3 6 24 26 38 27 14 49 39 22 8 15 7 4 2 1 1 1 9 2 1 3 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 2 1 1 1 1 1 1 1 2 1 2 3 1 14 8 13 8 100 16 7 11 11 5 3 2 1 1 1 1 1 1 1 1 2 2 4 11 56 21 15 6 19 12 25 57 3 4 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 99 98 d 1H J 14 \| 81 80 dt 1H J 9 16 \| 76 75 m 4H \| 74 74 dd 1H J 22 76 \| 74 73 dt 2H J 10 83 \| 73 72 t 1H J 69 \| 47 47 ddd 1H J 26 33 60 \| 44 43 dd 2H J 9 61 \| 42 41 m 2H \| 40 40 dt 2H J 8 60 \| 40 39 dd 1H J 26 128 \| 36 35 ddd 1H J 33 70 134 \| 34 33 ddd 1H J 33 68 134 \| 20 20 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(NC(=O)CBr)no1	ir: 2 2 2 2 3 2 3 2 3 3 3 12 2 3 2 2 5 3 10 4 3 4 12 7 5 3 2 2 2 2 2 2 2 2 4 2 2 9 4 3 2 2 2 7 4 4 2 4 4 14 42 15 4 19 5 3 3 2 3 9 10 4 2 2 3 3 2 2 3 5 5 35 29 8 3 3 10 4 17 6 2 2 2 2 2 3 3 3 2 2 2 2 2 2 2 3 3 2 2 3 3 16 1 2 3 3 3 6 6 2 2 3 2 2 2 2 3 3 10 7 5 2 3 3 3 5 2 2 3 9 3 10 4 2 2 2 2 2 4 2 2 2 2 2 2 4 24 2 5 6 3 77 13 4 3 2 3 9 18 100 6 0 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 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 4 4 5 4 3 8 6 3 3 3 2 3 2 2 2 10 2 3 7 7 39 6 2 3 3 3 3 2 3 5 3 2 2 2 4 3 3 2 3 6 7 16 92 10 9 13 5 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; 1HNMR: 93 93 s 1H \| 65 64 s 1H \| 40 40 s 2H \| 24 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)c1ccc2nc(-c3cc(-c4cccnc4OC)ccc3O)[nH]c2c1	ir: 0 2 6 13 2 3 2 7 4 1 2 3 3 2 2 2 2 5 10 9 21 36 25 4 7 6 6 2 7 7 3 1 2 4 8 10 17 12 51 15 50 14 5 5 8 3 3 2 6 3 2 1 2 5 18 23 9 2 2 2 2 2 9 9 4 4 5 2 6 6 8 2 2 3 2 3 2 7 6 16 19 9 16 2 2 3 14 2 3 3 7 5 2 1 1 3 5 8 2 1 1 3 1 1 1 1 1 3 6 3 1 3 2 3 6 2 2 2 2 2 7 3 8 10 8 7 5 3 2 3 4 6 39 18 0 3 2 1 9 3 4 7 17 30 22 8 15 32 6 12 28 19 29 22 25 6 3 28 4 2 1 1 1 2 9 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 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 5 1 53 100 35 14 5 3 3 2 3 30 16 2 1 1 1 1 2 2 2 2 2 5 5 15 6 23 37 28 12 11 22 4 3 3 2 2 0 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 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 0 1 1 0 1 1 1 0 1 1; 1HNMR: 94 94 s 1H \| 81 81 m 2H \| 79 79 m 2H \| 79 78 m 2H \| 74 73 dd 1H J 24 88 \| 71 70 m 3H \| 40 40 s 3H \| 30 30 d 3H J 51	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1conc1C(=O)NC1CC1	ir: 2 2 2 3 2 2 2 2 2 3 3 4 3 2 2 2 3 2 2 3 3 2 2 3 7 2 1 3 4 2 4 81 58 8 11 8 4 11 3 17 2 10 3 4 3 3 2 1 4 7 4 3 2 3 2 1 2 4 2 1 2 3 2 1 2 4 2 1 2 3 2 2 4 7 4 16 3 2 2 2 2 2 2 2 3 3 2 3 6 2 1 2 2 2 2 2 2 2 2 4 3 2 1 2 2 2 2 2 3 2 2 3 11 6 2 5 9 3 4 2 2 2 1 2 5 2 0 26 0 4 3 4 4 11 4 8 100 29 5 2 5 3 31 6 5 11 46 2 3 4 11 44 8 7 3 2 2 2 3 9 4 3 8 3 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 1 2 2 2 1 1 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 5 5 3 4 11 6 2 2 3 8 4 2 3 2 2 2 2 2 2 2 2 2 2 2 3 3 17 5 5 6 38 12 3 3 2 4 5 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 86 86 s 1H \| 76 76 d 1H J 81 \| 43 43 q 2H J 64 \| 30 29 dp 1H J 47 82 \| 14 14 t 3H J 64 \| 10 9 m 2H \| 7 6 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(Br)c1cccc(-c2ccccc2)c1	ir: 0 1 1 1 0 1 2 2 1 1 2 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 3 7 8 3 6 3 3 1 1 3 4 6 19 34 7 2 1 2 13 27 22 3 1 0 1 1 1 0 1 1 1 0 1 2 1 1 4 7 5 9 7 7 4 2 2 4 6 4 1 1 2 1 1 1 1 1 1 1 0 1 2 5 2 1 1 1 1 1 1 2 1 2 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 3 2 3 3 2 2 1 1 1 2 1 2 2 4 2 1 1 1 1 5 17 3 2 3 8 29 5 4 14 3 2 3 2 2 2 3 9 9 2 2 2 1 1 3 1 1 1 0 1 1 0 1 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 4 2 5 1 10 5 10 100 46 10 5 5 2 2 1 1 2 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 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 0 0 0 1; 1HNMR: 76 76 m 3H \| 76 75 ddd 1H J 13 21 77 \| 75 74 m 3H \| 74 73 m 2H \| 50 49 m 1H \| 20 20 d 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1c2cc(F)ccc2-c2ccccc2N1S(=O)(=O)c1ccc(O)cc1	ir: 1 3 3 3 1 5 5 10 45 7 7 10 7 9 90 7 2 4 1 1 2 3 2 13 2 2 2 2 2 13 3 1 4 6 2 1 1 1 4 1 2 30 4 5 3 3 5 12 1 1 2 2 3 12 16 51 11 7 2 20 4 5 7 9 3 3 9 4 11 12 21 3 4 3 2 3 5 15 6 11 3 8 7 47 23 35 17 5 8 3 25 7 8 5 4 4 4 3 10 3 4 3 3 2 1 1 3 1 1 1 7 3 2 1 1 1 1 3 4 11 8 3 1 2 2 8 3 9 3 1 1 1 2 2 1 2 14 5 3 1 1 2 5 27 16 4 4 14 13 19 5 9 8 3 5 3 5 0 1 2 2 5 1 0 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 3 1 1 3 1 1 1 1 1 1 1 1 1 1 2 4 3 2 12 28 100 32 17 7 4 3 2 7 51 3 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 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: 83 83 s 1H \| 79 78 dd 1H J 12 80 \| 78 78 dd 1H J 50 82 \| 76 76 m 2H \| 76 75 dd 1H J 15 75 \| 75 74 ddd 1H J 13 76 87 \| 73 73 td 1H J 14 81 \| 72 72 ddd 1H J 7 22 122 \| 72 71 ddd 1H J 22 82 104 \| 69 69 m 2H \| 48 47 m 1H \| 15 15 d 3H J 86	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CC(O)C(C)C)c(NC(=O)OC(C)(C)C)c1	ir: 5 2 3 1 2 1 1 2 1 3 2 2 2 2 2 3 2 1 2 1 2 1 1 3 2 2 2 2 2 4 4 6 6 7 7 5 6 4 6 2 3 1 1 1 1 1 2 1 1 0 1 1 1 2 10 4 2 1 1 3 1 0 2 1 1 2 3 5 9 5 3 3 1 1 1 2 2 2 1 2 2 2 1 1 1 4 3 4 8 10 11 6 4 2 3 4 2 2 2 1 2 2 2 2 2 1 2 1 1 3 3 1 1 1 2 1 1 2 5 2 2 3 4 1 2 1 1 2 2 2 2 2 1 2 2 1 2 1 3 11 1 1 1 1 1 1 5 9 4 5 5 4 7 3 7 7 1 1 1 1 1 3 4 6 3 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 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 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 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 2 1 1 1 1 1 1 1 2 2 1 4 8 15 4 4 10 9 4 2 1 1 3 34 100 10 0 2 2 1 1 1 1 1 1 1 1 1 1 4 17 10 2 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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: 70 70 dt 1H J 9 88 \| 68 68 d 1H J 21 \| 66 65 dd 1H J 22 88 \| 60 60 s 1H \| 38 38 s 3H \| 37 36 m 1H \| 30 29 ddd 1H J 9 79 158 \| 28 27 ddd 1H J 8 80 159 \| 25 24 d 1H J 62 \| 18 17 dq 1H J 67 135 \| 15 14 s 8H \| 10 9 ddd 7H J 15 66 238	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

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