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DeerEyeRain
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train · 715k rows

Output stringlengths 5 127	Input stringlengths 850 1.64k	Instruction stringclasses 1 value
CC(=O)N1CCC(OCc2cncc(-c3cnc4c(c3)CCCN4C(C)=O)c2Cl)CC1	ir: 1 3 2 2 3 4 4 7 7 5 3 3 0 5 5 8 4 6 5 5 3 6 9 2 9 13 9 8 5 5 5 10 5 8 7 10 31 19 38 14 9 2 2 2 3 5 6 7 3 2 3 1 2 3 11 3 5 3 5 2 2 3 1 2 3 4 7 8 12 32 16 24 3 2 7 2 2 3 8 2 2 2 2 2 1 4 6 15 9 7 4 4 3 3 2 3 2 2 4 2 4 3 3 3 3 2 1 6 14 12 8 6 23 41 19 6 7 4 5 8 6 16 11 16 12 6 12 5 5 3 12 11 12 8 21 10 22 24 12 9 4 2 4 5 8 30 9 26 22 100 15 20 26 25 28 5 7 55 4 3 2 1 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 1 0 2 2 3 1 1 3 2 3 4 4 2 2 4 8 6 4 31 17 4 18 7 3 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 87 87 d 1H J 16 \| 85 85 dt 1H J 9 16 \| 85 84 d 1H J 18 \| 76 75 dt 1H J 9 17 \| 47 47 d 2H J 9 \| 39 38 m 2H \| 38 36 m 3H \| 34 33 ddd 2H J 59 86 123 \| 28 28 td 2H J 9 82 \| 23 23 s 2H \| 21 19 m 7H \| 19 18 dddd 2H J 42 59 86 130	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCCCCSCC(=O)O	ir: 1 1 1 1 2 3 4 4 4 6 10 9 3 6 3 4 4 4 21 28 100 50 55 20 12 8 2 2 1 0 2 1 2 1 1 3 1 1 2 8 6 4 3 6 5 2 2 2 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 3 12 21 27 58 5 10 13 7 5 2 3 4 4 2 1 1 2 2 1 2 2 3 1 5 4 3 1 0 6 6 5 3 2 2 1 1 3 4 2 2 2 4 2 5 5 12 10 3 8 5 3 3 2 1 1 1 3 2 1 1 1 1 1 2 2 3 4 17 30 19 10 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 2 4 2 2 2 2 2 2 2 2 4 10 10 6 2 1 1 0 0 1 1 3 5 43 90 50 63 9 4 3 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 100 99 s 1H \| 33 33 s 2H \| 26 26 t 2H J 63 \| 23 23 t 2H J 89 \| 17 15 m 4H \| 15 14 qdd 2H J 11 64 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1ccc(C(=N)c2cnc3c(ccn3S(=O)(=O)c3ccc(C)cc3)n2)cc1	ir: 7 2 2 1 1 15 7 2 4 6 1 6 28 46 42 14 5 3 2 2 4 10 2 3 4 9 13 2 1 1 2 4 16 23 7 4 2 2 0 3 3 1 1 1 1 1 1 1 1 1 2 5 7 35 4 26 6 1 2 4 8 3 2 11 8 3 2 4 8 11 4 2 0 0 1 2 0 4 1 1 2 14 2 7 46 5 8 4 2 3 10 5 14 10 16 5 2 8 22 10 24 9 1 1 1 1 2 1 0 1 1 2 1 12 3 2 2 3 3 5 15 5 5 2 3 19 7 2 4 100 5 4 2 2 0 1 1 11 5 0 1 1 2 11 2 2 15 26 4 27 16 4 3 5 4 2 1 1 0 0 4 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 1 1 0 0 1 1 1 1 0 1 0 0 1 1 1 3 3 9 4 11 44 28 32 22 10 19 8 6 3 4 3 2 1 2 1 0 1 6 29 52 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 87 87 s 1H \| 83 83 d 1H J 68 \| 78 77 m 2H \| 76 75 m 2H \| 74 74 m 3H \| 72 72 m 2H \| 25 25 s 3H \| 24 24 d 3H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cnc2ccc(C=O)cc2c1OC(C(F)(F)F)C(F)(F)F	ir: 9 6 6 5 6 5 3 5 8 3 3 4 10 4 6 4 10 4 5 4 4 3 3 4 4 3 3 4 6 7 3 4 4 3 3 6 5 3 4 5 7 3 4 4 4 4 5 5 4 5 7 3 4 8 15 100 7 0 4 6 4 2 4 5 3 2 4 5 3 5 5 8 4 3 10 6 4 5 5 5 3 3 4 4 7 4 4 4 3 3 4 4 4 8 7 4 3 4 5 16 7 5 6 6 18 7 4 4 3 3 4 3 3 4 4 4 3 4 5 5 4 6 15 7 5 6 6 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 6 3 6 18 5 4 3 8 4 3 3 5 10 4 11 4 7 12 4 4 4 3 3 4 5 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 6 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 3 4 4 3 3 4 8 4 4 4 4 4 5 7 11 5 5 5 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3; 1HNMR: 94 94 dt 1H J 7 15 \| 88 87 s 1H \| 81 80 m 3H \| 49 48 p 1H J 59	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccccc1Nc1ccc(CCO)cc1	ir: 7 14 21 12 26 13 16 9 4 10 21 16 9 16 15 15 9 7 8 11 10 7 7 5 7 5 6 3 4 3 2 2 2 3 4 3 3 2 3 4 3 2 15 14 4 9 4 6 4 3 2 5 3 2 4 12 33 9 3 2 3 3 2 2 2 3 2 1 2 6 2 3 2 3 3 13 8 3 2 1 2 2 3 2 5 14 26 11 10 11 7 2 8 4 4 3 3 4 6 2 3 2 2 3 5 3 27 13 0 2 3 2 1 2 2 2 1 2 5 4 3 2 2 2 3 4 2 2 2 2 2 2 2 3 4 6 4 5 4 2 2 2 2 1 3 5 2 3 7 32 9 25 16 15 4 5 12 15 6 3 3 10 2 2 5 2 2 2 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 1 2 2 2 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 3 3 2 2 2 2 2 2 2 2 3 3 2 4 3 5 5 54 8 4 3 5 4 7 12 100 19 7 6 3 3 4 3 2 3 5 19 4 3 2 10 46 60 6 11 9 2 32 58 3 4 4 1 2 3 2 2 1 2 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 2 2 2 2 2 2 2 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 71 71 dt 2H J 9 77 \| 71 70 m 2H \| 70 69 m 2H \| 69 69 td 1H J 15 75 \| 69 68 dd 1H J 14 78 \| 57 56 s 1H \| 39 39 s 2H \| 38 38 q 2H J 57 \| 28 27 tt 2H J 9 57 \| 18 17 t 1H J 59	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(CCN2C(=O)C(F)(F)C[C@@H]2C=O)cc1	ir: 30 17 12 11 17 20 19 7 10 5 9 4 13 12 30 56 20 15 10 5 1 3 7 5 5 27 29 43 38 16 13 29 40 41 28 7 3 3 6 4 2 3 6 5 7 3 4 2 3 6 15 15 10 26 42 20 42 8 12 12 5 7 13 7 7 19 12 10 3 0 20 5 8 8 7 36 3 4 7 4 4 6 10 7 13 42 17 10 9 8 13 14 43 9 3 3 2 4 15 23 10 6 17 17 16 32 39 68 23 19 17 11 9 6 12 60 14 17 22 24 26 20 53 20 19 27 40 27 9 3 4 2 3 2 2 4 4 3 3 2 2 4 27 44 12 8 9 20 56 78 20 18 17 3 1 3 2 0 1 2 2 0 3 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 0 1 2 1 1 1 1 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 2 2 6 2 3 3 6 10 5 6 10 11 8 9 11 14 22 17 51 100 50 5 4 5 2 3 3 1 2 2 2 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1; 1HNMR: 98 98 dt 1H J 9 77 \| 80 79 m 2H \| 72 72 dt 2H J 9 84 \| 43 42 dddt 1H J 29 44 61 74 \| 39 38 m 1H \| 39 39 s 3H \| 38 37 dt 1H J 55 125 \| 29 29 m 1H \| 29 28 m 1H \| 29 27 m 1H \| 26 25 dtdd 1H J 9 62 126 156	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(F)c2c(c1)C1(COCCC(N)=N1)c1cc(Br)ccc1O2	ir: 2 4 1 3 1 1 4 4 1 3 5 3 4 3 3 4 4 5 7 4 2 4 2 4 2 8 5 6 4 6 3 5 4 2 3 8 4 5 5 3 5 7 2 4 6 6 2 3 3 4 4 2 2 6 17 3 1 7 2 2 1 2 2 1 2 3 9 15 9 6 3 3 3 2 3 6 3 3 1 3 3 1 1 1 1 1 1 1 1 2 2 1 1 2 1 2 1 1 1 2 2 1 1 0 1 2 0 3 4 1 1 1 4 0 1 1 2 2 2 3 1 1 1 2 2 1 2 1 1 1 1 1 2 2 2 2 2 1 10 4 5 7 12 46 21 4 3 20 100 31 8 8 6 2 2 1 4 1 1 1 13 3 3 0 1 1 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 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 0 1 0 0 1 1 1 1 1 1 1 1 0 4 2 3 8 9 21 16 8 3 1 1 2 1 1 1 2 1 1 2 2 3 3 3 4 22 5 3 5 2 2 3 2 4 5 30 52 10 17 3 7 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 m 2H \| 70 70 d 1H J 84 \| 68 67 dd 1H J 22 121 \| 67 66 d 1H J 22 \| 54 53 s 2H \| 40 40 s 2H \| 39 38 m 2H \| 38 38 s 3H \| 26 25 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1cc(Br)cnc1C1=CCC(N2CCOCC2)CC1	ir: 2 2 3 2 8 5 3 3 2 9 17 7 6 5 4 22 3 7 4 5 2 4 3 3 2 2 2 2 2 33 30 4 3 6 5 4 7 25 100 32 12 2 2 6 3 0 2 4 2 0 3 24 7 2 25 3 6 3 4 3 4 5 9 8 12 12 20 48 14 5 4 8 24 11 9 6 3 2 4 4 1 3 8 13 12 18 13 8 13 14 8 5 13 7 11 5 5 12 20 9 15 16 8 4 4 4 5 5 4 2 3 3 9 16 10 6 10 16 30 23 9 8 6 12 15 10 85 43 18 13 7 3 3 5 5 24 34 24 4 2 3 2 2 2 8 23 7 2 2 3 3 1 42 2 3 3 2 3 4 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 2 2 3 3 10 13 6 5 3 4 5 3 8 12 40 33 24 24 25 6 5 3 2 1 2 2 2 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 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: 83 82 d 1H J 16 \| 76 76 dd 1H J 16 121 \| 64 63 tdt 1H J 9 18 57 \| 37 36 m 4H \| 29 28 m 2H \| 28 27 m 1H \| 27 26 ddd 2H J 38 60 124 \| 26 25 ddd 2H J 38 60 126 \| 24 23 dddt 1H J 10 57 66 143 \| 22 20 m 2H \| 19 18 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1ccc(Nc2n[nH]c3ncnc(Nc4cccc(Cl)c4)c23)cc1	ir: 1 1 1 1 1 1 1 2 3 2 11 8 4 1 3 5 8 2 2 2 2 1 2 2 2 1 1 2 4 10 4 7 4 2 2 3 2 4 5 4 37 15 3 2 32 4 4 21 22 2 7 3 1 2 2 1 5 5 1 1 1 1 1 1 1 2 4 3 5 9 7 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 3 2 1 2 1 1 0 1 1 0 5 21 11 3 2 1 2 11 8 6 2 1 1 1 3 1 1 1 1 0 1 1 1 1 2 1 2 1 1 1 3 1 1 1 1 0 2 1 0 1 4 2 1 1 8 4 1 1 12 3 2 2 1 2 4 6 3 5 5 6 100 16 41 3 2 2 20 12 1 1 1 1 1 1 1 0 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 0 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 2 2 2 3 6 21 7 5 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 5 6 16 46 32 17 12 6 6 1 2 1 1 1 1 1 1 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 1 0 0 0 1 0 0 0 1 0 0 0 0 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 0 1 0 0 1 0 0 0 1 0 0; 1HNMR: 94 94 s 1H \| 88 88 s 1H \| 87 86 s 1H \| 84 83 s 1H \| 77 76 d 2H J 81 \| 76 76 m 4H \| 73 72 t 1H J 78 \| 71 71 ddd 1H J 13 22 77 \| 71 71 ddd 1H J 12 21 79 \| 22 21 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(-c2ccccc2)sc1N(C(=O)[C@@H]1CC[C@@H](C)CC1)C(C)CSC	ir: 4 2 3 4 1 3 1 3 6 4 1 1 2 4 3 3 3 1 1 2 8 3 1 1 4 3 6 2 5 16 9 13 8 8 12 10 7 4 22 22 13 8 3 3 3 5 3 2 5 3 1 1 1 2 1 2 2 2 6 2 1 0 2 3 3 6 5 6 8 5 2 2 5 3 2 6 5 4 2 2 3 1 7 9 12 3 1 1 0 0 1 2 2 1 2 1 1 1 3 2 3 11 13 3 5 8 11 7 4 6 5 3 10 6 15 19 12 9 8 6 5 2 6 2 3 3 2 3 5 3 4 4 2 3 5 8 7 5 4 1 1 2 17 3 3 9 9 2 2 46 100 25 6 2 2 1 1 1 1 3 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 2 2 1 2 4 4 3 3 6 5 13 5 8 9 27 19 24 42 30 11 6 4 2 0 1 1 1 1 1 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 s 1H \| 78 77 ddt 2H J 12 25 60 \| 75 74 m 3H \| 44 43 qt 1H J 51 61 \| 39 38 s 2H \| 28 27 d 2H J 52 \| 26 25 tt 1H J 47 72 \| 21 20 s 2H \| 19 18 m 4H \| 16 15 m 2H \| 15 14 m 3H \| 14 14 s 2H \| 14 14 s 2H \| 10 9 d 3H J 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CN(C1CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl	ir: 3 3 3 4 4 8 4 24 15 5 5 3 2 2 1 9 3 3 3 3 2 6 13 3 3 1 2 2 13 4 1 2 2 0 1 10 6 3 6 11 7 6 6 5 5 2 2 4 6 6 4 3 4 5 3 3 3 4 2 3 2 2 2 4 13 85 18 7 4 3 2 1 3 2 3 4 57 4 3 13 13 14 35 3 18 100 9 23 3 6 17 11 49 2 7 8 7 9 14 14 12 11 19 40 7 4 5 1 0 2 3 1 0 2 4 2 0 2 3 3 6 5 5 1 0 2 2 1 0 3 3 2 1 4 3 2 1 2 2 1 2 4 4 7 59 4 2 2 2 3 6 3 5 12 4 1 1 7 10 1 2 4 2 1 1 2 1 0 1 2 1 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 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 2 1 1 3 2 1 2 2 3 3 5 6 11 13 44 30 3 6 7 16 4 4 2 2 2 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 77 77 s 2H \| 42 41 q 2H J 66 \| 41 40 s 2H \| 31 30 p 1H J 68 \| 13 12 t 3H J 66 \| 10 9 dt 2H J 72 83 \| 8 7 dt 2H J 70 88	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1nc(C(=O)O)ccc1-n1cnc(C)c1	ir: 9 1 2 3 3 2 1 1 1 4 0 1 1 1 1 4 2 1 1 1 1 1 9 8 5 2 2 1 1 2 1 2 1 3 3 30 14 1 1 2 2 3 1 1 1 1 3 5 1 0 1 2 6 4 1 4 14 2 1 2 1 2 1 2 2 3 2 4 8 2 3 2 1 1 1 2 2 2 3 1 2 3 1 2 8 25 3 17 8 9 4 2 2 2 1 1 4 5 28 37 5 2 4 9 1 2 3 3 11 1 2 2 0 1 3 5 2 2 3 3 1 2 2 2 1 2 4 5 2 3 2 1 0 1 2 3 2 2 7 14 12 1 1 1 1 1 1 1 1 2 11 3 2 1 1 0 1 1 1 6 8 1 1 0 1 1 1 1 2 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 4 3 2 2 1 1 0 1 1 1 0 1 1 1 2 4 1 1 1 1 2 2 1 3 3 5 5 3 10 16 8 15 27 29 11 14 9 2 3 2 56 100 13 2 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 1 1 1 3 3 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 82 82 d 1H J 81 \| 79 79 m 2H \| 76 76 m 1H \| 40 40 s 3H \| 23 23 d 3H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(O)CC4)n3)ccc21	ir: 5 5 6 5 6 7 5 3 3 3 3 4 4 3 4 3 2 2 3 4 4 2 2 2 2 2 2 2 3 3 2 2 2 2 10 2 2 7 2 2 2 3 4 4 6 5 26 4 5 10 3 2 4 9 18 23 16 10 5 9 8 5 9 25 8 22 7 14 22 14 7 5 4 4 4 3 3 4 4 4 3 3 4 6 12 14 8 12 12 12 13 9 9 9 3 5 3 5 5 4 4 5 4 3 5 7 12 10 11 6 11 6 77 47 8 16 21 23 0 14 38 37 20 23 15 8 15 11 16 8 10 44 20 4 4 4 10 18 43 7 5 3 1 3 2 2 2 3 2 2 2 2 5 2 11 5 3 2 2 3 2 1 2 3 2 3 4 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 3 2 3 2 2 3 4 6 12 6 11 22 5 8 16 8 11 13 8 34 43 98 65 26 100 60 40 9 3 5 5 6 7 4 4 2 4 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 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 77 77 dd 1H J 21 78 \| 73 73 m 2H \| 71 71 s 1H \| 39 39 m 1H \| 39 38 m 2H \| 37 36 ddd 2H J 60 88 134 \| 30 30 d 1H J 48 \| 22 21 dddd 2H J 49 60 88 128 \| 20 18 m 6H \| 13 13 d 12H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)CC(=O)OCCc1ccc(OCc2ccccc2)cc1	ir: 2 4 3 2 3 2 2 2 4 3 4 6 5 3 3 7 3 5 3 1 0 1 1 1 1 1 1 1 2 2 6 6 2 0 1 3 2 2 2 11 36 2 5 2 3 1 1 3 1 4 1 3 4 9 15 14 4 1 2 1 1 1 1 3 1 3 3 2 4 12 3 3 1 0 1 1 1 1 2 0 0 0 1 1 1 1 3 7 2 6 1 2 1 4 3 2 1 7 5 3 4 5 2 1 1 1 1 1 1 1 3 2 1 1 2 1 0 2 6 4 6 9 6 3 11 4 5 4 11 7 5 2 2 1 2 7 2 1 1 2 6 2 9 100 30 5 4 5 6 4 5 9 6 2 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 2 2 1 3 6 2 1 2 2 4 3 3 9 17 0 46 70 30 13 4 2 3 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 0 0; 1HNMR: 74 74 ddt 2H J 9 15 66 \| 74 73 m 2H \| 73 73 m 1H \| 71 70 dt 2H J 9 86 \| 69 68 m 2H \| 51 50 t 2H J 9 \| 42 42 t 2H J 61 \| 36 35 s 2H \| 30 29 tt 2H J 9 60 \| 23 22 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccncc1)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1	ir: 6 8 5 7 6 7 7 7 5 7 17 20 20 10 9 4 3 12 5 7 6 8 12 4 6 8 5 5 6 12 14 10 56 31 67 74 11 12 11 12 21 13 35 31 31 38 19 9 7 5 8 3 7 5 16 4 24 27 5 4 4 7 7 52 7 7 5 9 13 22 43 87 61 23 12 16 6 14 8 4 7 5 3 5 5 6 2 4 6 5 3 6 10 7 4 13 10 22 54 16 8 5 18 57 10 3 3 3 3 6 15 83 86 10 4 3 7 5 6 10 9 9 5 10 7 11 10 4 4 6 4 23 56 8 25 36 5 6 6 14 32 17 23 9 30 11 7 20 28 50 34 37 20 22 14 15 12 6 11 2 46 96 16 13 30 4 4 6 3 0 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 3 3 2 1 2 3 2 1 2 2 2 1 2 3 1 2 2 2 1 2 2 2 2 2 3 2 2 2 3 2 3 2 3 3 2 3 6 5 6 9 26 100 100 42 43 24 7 7 10 6 6 4 6 4 2 3 3 2 2 5 8 5 4 10 13 12 61 72 22 6 5 3 3 3 3 2 2 2 2 3 3 2 2 2 2 2 2 3 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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; 1HNMR: 97 97 s 1H \| 90 90 d 1H J 20 \| 87 86 dd 1H J 16 48 \| 84 83 m 2H \| 83 83 dt 1H J 18 84 \| 81 81 m 2H \| 79 78 m 2H \| 77 77 dd 1H J 48 84 \| 74 74 m 2H \| 70 70 q 1H J 17	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc2c(c1)c1c(n2CC2CC2)CCC(C2CCOCC2)C1	ir: 12 7 20 5 12 24 38 29 4 12 5 7 4 7 10 2 2 2 3 5 3 3 39 30 12 5 6 3 5 8 5 0 6 14 24 29 22 8 11 17 11 20 17 4 8 4 6 0 3 4 7 1 3 36 32 36 9 9 9 8 3 6 4 5 11 25 28 36 27 29 11 7 6 1 63 7 5 5 2 1 3 9 4 17 11 9 7 3 8 3 1 9 10 7 3 2 6 6 1 4 4 6 4 4 6 11 5 22 15 9 6 10 31 38 37 23 9 23 34 16 5 10 10 24 26 20 12 39 11 14 11 12 8 6 2 2 3 2 3 3 4 14 13 67 32 46 13 7 19 3 17 27 13 42 13 4 15 2 1 1 2 1 1 1 2 0 1 1 1 0 1 1 1 0 1 2 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 3 2 3 5 6 5 11 9 8 12 23 20 16 38 40 25 17 100 26 21 25 11 13 6 3 1 2 1 1 1 2 3 3 5 2 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1; 1HNMR: 81 80 d 1H J 15 \| 79 79 dd 1H J 14 82 \| 73 73 d 1H J 81 \| 40 40 d 2H J 42 \| 39 39 s 2H \| 38 37 ddd 2H J 36 62 110 \| 35 34 ddd 2H J 35 62 110 \| 29 28 m 2H \| 28 27 ddd 1H J 59 84 146 \| 26 26 dd 1H J 56 150 \| 19 17 m 4H \| 17 16 m 3H \| 15 14 pt 1H J 43 55 \| 14 13 dtd 2H J 35 60 135 \| 6 6 m 2H \| 4 3 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1ccnc1CCOc1ccc(CCC(=O)N[C@@H]2CC[C@@H](C)CC2)cc1OC	ir: 3 2 3 3 5 6 9 13 12 7 7 4 12 11 6 9 4 7 3 5 3 3 3 1 1 1 2 2 1 2 1 1 1 1 1 1 3 10 13 49 14 8 10 14 7 4 2 1 2 3 3 5 10 35 17 21 8 2 3 2 4 7 4 5 10 20 20 14 14 13 7 13 9 4 7 3 7 5 9 4 3 7 13 19 11 2 8 37 13 15 8 9 2 6 7 9 3 3 15 16 11 7 26 14 18 10 10 19 14 18 20 23 26 47 18 21 13 29 36 22 18 17 19 11 22 21 9 16 10 6 6 7 4 5 4 3 2 1 3 4 8 6 9 54 28 45 8 7 3 7 7 4 4 6 6 2 2 0 0 1 1 0 8 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 2 1 2 2 2 1 2 2 2 3 12 9 5 7 2 11 15 10 18 13 14 16 33 22 60 100 26 15 77 43 28 18 5 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 4 5 5 9 21 12 6 1 2 2 2 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 70 69 dt 1H J 9 43 \| 69 69 d 1H J 44 \| 68 68 d 1H J 87 \| 68 67 m 2H \| 59 58 d 1H J 88 \| 44 43 t 2H J 58 \| 39 38 s 2H \| 38 38 qd 2H J 9 58 \| 35 34 dtt 1H J 36 62 88 \| 30 30 t 2H J 59 \| 29 28 ddt 2H J 11 86 93 \| 25 25 t 2H J 85 \| 17 17 dddd 2H J 37 53 79 134 \| 16 15 dddd 2H J 53 62 80 135 \| 15 14 m 2H \| 14 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.
NCc1ncc(-c2ccc3ncnc(N)c3c2)s1	ir: 2 4 3 1 1 2 2 2 3 1 6 5 2 2 2 2 1 2 2 3 3 4 5 8 3 2 1 2 2 5 8 3 3 4 3 2 1 2 1 1 2 4 1 1 1 1 1 3 6 10 3 4 1 4 12 5 18 13 2 6 4 7 5 4 2 1 3 2 3 2 11 12 13 15 10 4 1 2 3 8 2 7 6 4 2 10 3 3 1 1 1 2 1 2 3 1 1 2 14 3 1 0 1 0 0 1 1 1 2 1 1 2 3 2 1 1 0 0 1 1 1 2 2 3 4 9 6 12 3 5 2 3 4 3 5 2 4 1 2 1 1 1 14 2 1 3 5 16 2 4 17 44 8 1 2 15 2 7 3 2 1 1 1 0 1 1 9 2 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 1 1 1 2 15 8 1 1 1 1 1 1 1 1 1 3 3 2 4 7 10 4 6 15 4 2 6 5 1 2 1 1 0 0 16 100 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 84 s 1H \| 83 83 d 1H J 25 \| 82 81 dd 1H J 24 79 \| 80 79 m 2H \| 78 78 s 2H \| 43 42 t 2H J 59 \| 27 27 t 2H J 58	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1nccc2c1c(-c1ccc(CC#N)cc1)cn2C1CCOC1	ir: 5 6 7 6 4 5 6 7 5 12 11 8 9 7 6 6 6 7 8 12 14 11 9 6 6 7 6 5 6 8 7 5 5 6 7 7 10 12 100 17 10 6 5 6 6 7 13 11 8 9 6 24 16 10 16 10 12 6 11 6 8 10 6 10 10 12 7 5 7 22 6 6 8 18 29 19 8 7 6 6 7 6 7 22 7 6 5 13 8 6 6 16 7 15 9 5 6 10 18 10 6 6 7 5 7 5 5 5 8 7 5 6 10 9 8 34 9 6 13 12 10 9 6 11 13 12 12 8 10 8 54 7 4 5 6 5 5 5 5 5 5 6 6 8 6 7 18 70 10 6 6 9 11 31 6 9 8 8 7 0 75 1 5 9 6 4 5 7 5 4 5 6 5 4 5 6 6 5 6 32 6 5 6 6 5 4 5 6 5 4 5 6 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 4 5 5 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 5 5 4 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 6 6 6 5 8 7 6 9 8 6 6 8 10 7 11 22 11 12 37 44 17 25 9 8 8 9 5 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 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 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: 81 81 d 1H J 42 \| 76 75 m 2H \| 74 74 dt 2H J 9 81 \| 73 72 d 1H J 42 \| 72 72 s 1H \| 42 41 tq 1H J 11 35 \| 40 40 s 2H \| 39 39 ddd 1H J 8 17 103 \| 39 38 ddd 1H J 24 42 102 \| 38 38 t 2H J 9 \| 37 37 ddd 1H J 23 42 102 \| 37 36 m 1H \| 23 22 m 1H \| 21 20 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)c([N+](=O)[O-])cc1F	ir: 5 5 5 5 7 7 4 5 7 6 4 4 4 4 4 4 4 4 4 4 4 4 5 12 5 5 6 4 4 4 4 5 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 3 4 5 4 4 6 11 4 0 63 80 26 10 6 46 100 9 8 6 6 5 4 4 4 5 4 4 4 4 4 5 5 5 15 7 4 24 3 4 6 29 6 4 5 4 4 4 5 4 4 4 5 4 5 4 7 5 5 7 6 13 6 5 4 5 7 11 48 6 3 6 6 5 6 12 6 5 4 5 5 4 4 8 7 8 4 4 4 4 4 5 4 4 4 9 15 8 10 5 7 14 7 5 4 4 5 5 4 4 4 4 4 4 4 5 4 4 4 4 4 5 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 7 6 4 4 4 4 4 5 7 7 7 4 6 24 14 10 6 65 48 9 5 4 4 5 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 75 75 d 1H J 121 \| 73 72 dd 1H J 9 43 \| 25 25 s 3H \| 23 22 d 3H J 35	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)NC[C@H]1CN(c2ccc(C3CCN(C(=O)CO)CC3)cc2)C(=O)O1	ir: 8 3 6 4 7 3 2 4 10 7 11 6 6 4 3 6 7 4 3 4 9 12 17 15 7 8 6 7 8 24 18 51 28 11 7 8 8 5 6 3 3 2 1 2 3 3 1 3 3 4 4 7 3 22 26 9 14 6 4 4 2 1 2 3 2 2 2 4 3 5 9 4 2 2 2 4 2 2 3 2 2 0 11 6 4 4 8 9 34 100 18 5 6 11 6 10 10 12 13 8 2 6 5 4 9 15 9 19 9 3 1 3 3 3 1 3 4 4 5 5 10 8 9 12 8 3 6 7 19 10 4 3 2 4 2 4 11 5 2 2 2 1 5 10 9 40 26 41 24 34 47 48 14 7 3 1 2 1 1 0 1 1 4 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 5 3 1 4 4 3 8 6 6 10 6 25 20 11 4 3 8 8 5 20 52 50 9 4 2 6 2 1 0 1 1 2 1 3 9 17 9 15 6 3 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 1 0 0 1 1 2 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 2H \| 72 72 d 1H J 17 \| 72 71 m 2H \| 47 47 m 1H \| 41 41 m 3H \| 38 38 dd 1H J 35 131 \| 37 36 ddd 2H J 59 85 121 \| 36 35 m 3H \| 34 32 m 2H \| 29 28 m 1H \| 21 20 ddt 2H J 57 86 130 \| 20 20 s 2H \| 19 18 ddt 2H J 57 86 130	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C(=O)NC[C@@H](O)CO)cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O	ir: 2 12 14 9 7 14 26 26 15 32 9 10 12 4 8 6 7 3 4 2 5 5 7 6 2 3 8 12 13 14 3 2 1 2 2 14 3 5 14 25 20 35 9 3 17 25 10 10 6 2 2 4 7 42 17 5 2 11 5 4 2 2 2 5 3 2 10 15 6 5 8 4 1 2 9 1 2 2 2 2 4 3 1 5 3 4 6 24 53 11 17 31 18 8 21 10 4 4 3 22 7 3 3 3 1 6 2 2 1 1 1 1 1 1 7 2 2 4 8 2 4 8 8 4 7 4 4 3 6 2 1 2 2 1 1 1 3 5 12 8 5 7 58 7 15 23 45 25 4 18 4 12 49 6 1 0 65 1 2 6 16 2 2 1 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 1 1 0 1 0 0 1 1 1 1 1 0 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 1 1 2 1 4 9 11 6 19 59 20 4 3 4 4 3 27 92 28 6 4 1 2 4 1 3 3 1 2 1 4 6 4 13 100 10 8 2 2 1 1 1 0 0 1 1 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 s 1H \| 82 82 d 1H J 21 \| 77 76 t 1H J 69 \| 76 76 dd 1H J 22 86 \| 74 73 m 2H \| 69 69 m 1H \| 69 68 m 1H \| 54 53 dd 2H J 9 35 \| 41 40 d 1H J 55 \| 40 39 m 2H \| 38 37 ddd 1H J 48 56 126 \| 36 34 m 2H \| 33 33 ddd 1H J 48 69 132 \| 23 23 d 3H J 11	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC1=Nc2cc([N+](=O)[O-])ccc2C2CCCC12	ir: 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 2 4 4 2 2 2 3 2 1 1 1 0 2 1 1 1 2 2 0 1 1 1 1 1 1 2 1 1 1 1 0 1 2 1 2 1 2 0 0 1 1 1 0 1 1 1 1 3 2 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 2 1 0 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 2 2 0 1 1 1 0 1 1 1 0 1 1 1 1 2 3 5 3 3 1 4 4 4 14 8 2 1 2 1 3 1 1 0 1 1 1 0 1 2 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 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 1 2 2 2 3 2 1 1 1 1 1 1 0 2 1 2 1 2 1 1 1 3 4 5 5 2 2 1 2 2 3 1 2 26 100 49 15 3 2 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 dd 1H J 24 82 \| 79 79 d 1H J 24 \| 76 75 dd 1H J 6 82 \| 51 50 s 2H \| 32 32 m 1H \| 27 27 dt 1H J 34 67 \| 21 20 m 1H \| 20 19 m 1H \| 19 17 m 3H \| 17 16 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1ccc(-c2ccc(OC(F)(F)F)cc2)nc1	ir: 2 3 4 23 8 2 3 3 1 2 2 1 1 3 3 7 6 2 2 1 1 1 2 1 1 2 1 2 1 1 2 3 1 1 6 13 21 42 5 1 1 2 1 1 1 2 1 2 2 3 5 3 16 55 27 11 3 11 1 1 2 2 1 2 1 2 2 1 3 11 10 3 2 1 2 1 2 2 1 1 1 1 5 5 8 23 45 33 32 11 13 6 11 24 12 8 4 8 21 13 7 42 7 4 2 1 0 1 4 3 1 1 2 1 0 1 1 3 3 3 5 2 22 11 5 6 2 2 3 1 1 1 1 1 2 4 84 7 0 2 2 0 1 2 3 2 4 58 11 3 7 9 6 5 1 2 2 0 1 48 7 1 1 7 3 2 2 1 1 0 1 1 1 0 1 1 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 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 2 2 2 1 2 3 2 1 2 2 3 3 2 4 3 5 6 7 10 5 12 8 24 96 35 23 15 12 8 12 28 59 100 8 8 5 4 4 3 1 2 2 3 1 2 5 7 10 4 3 2 2 2 4 2 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 85 85 p 1H J 6 \| 80 79 m 2H \| 77 76 m 2H \| 73 73 m 2H \| 48 47 dt 2H J 8 61 \| 42 42 t 1H J 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](c1ccccc1)n1ccc(C(=O)O)cc1=O	ir: 0 1 1 1 0 1 1 3 1 1 1 3 0 2 1 2 2 5 3 8 3 7 72 14 3 1 1 4 26 7 5 2 1 1 2 1 2 1 1 2 9 4 9 2 1 0 1 1 1 0 1 9 2 1 0 1 0 0 0 1 1 0 1 1 1 1 2 1 5 12 5 2 2 3 1 1 2 8 67 6 3 2 3 1 1 1 1 3 4 1 2 4 0 1 1 1 0 1 1 1 0 1 1 3 1 1 1 0 0 0 1 0 0 1 8 3 0 1 1 1 1 1 1 0 0 1 4 4 5 4 2 1 1 2 1 9 4 2 1 1 2 4 8 8 58 6 4 4 1 0 1 1 6 2 1 1 1 5 1 1 1 0 0 3 13 1 1 0 0 1 0 0 0 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 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 1 0 0 1 0 0 0 0 0 0 1 1 0 1 1 1 1 3 4 2 5 5 14 32 15 3 1 1 1 1 36 100 50 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 dd 1H J 17 78 \| 74 73 dd 1H J 13 79 \| 73 72 m 6H \| 71 70 d 1H J 15 \| 52 51 dtd 1H J 19 69 77 \| 15 15 d 3H J 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(CCCN(C)C)cc3c2)c1F	ir: 9 16 13 9 12 24 3 7 3 5 9 9 5 8 5 9 10 12 15 9 9 1 5 7 6 8 7 9 6 6 9 9 17 9 25 9 15 43 38 16 33 25 20 23 14 27 12 6 17 10 5 7 7 7 19 100 17 9 10 8 3 2 4 5 1 0 4 14 24 33 8 2 3 3 4 1 3 2 4 2 2 1 2 7 3 37 20 24 9 11 8 5 12 9 9 7 10 8 5 5 9 12 20 24 12 9 5 9 14 11 27 5 5 6 6 4 2 2 5 8 23 10 13 11 2 8 8 3 3 5 2 3 3 5 1 1 1 2 4 8 3 6 11 12 32 96 60 3 25 10 11 2 3 6 14 6 22 5 1 2 3 2 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 1 2 1 1 3 11 7 2 1 2 2 2 2 6 20 21 5 4 15 27 14 9 7 3 1 2 1 1 1 1 1 1 0 1 2 1 1 2 2 6 3 17 29 22 49 62 40 11 4 3 2 2 1 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 94 s 1H \| 89 89 d 1H J 37 \| 88 87 t 1H J 19 \| 86 86 d 1H J 18 \| 74 73 dt 1H J 48 77 \| 73 72 dd 1H J 77 101 \| 63 62 dt 1H J 9 20 \| 31 31 t 2H J 78 \| 28 27 td 2H J 9 81 \| 27 26 t 2H J 61 \| 23 23 s 5H \| 19 17 m 5H \| 11 10 t 3H J 84	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1cc(NC(=O)Oc2ccccc2)ccn1	ir: 10 6 9 4 6 3 2 4 8 3 4 24 45 61 15 8 2 2 2 2 3 14 4 15 10 19 26 9 27 14 20 52 23 36 16 12 7 18 20 11 10 18 26 12 16 5 5 2 1 1 2 2 2 9 2 1 1 3 2 1 1 2 1 2 8 12 28 53 26 3 6 7 3 11 22 5 2 1 9 11 3 2 3 7 2 2 2 1 1 2 2 44 3 22 11 10 2 1 2 1 6 2 3 2 14 31 7 2 1 2 2 2 3 4 8 2 0 4 4 3 3 3 3 7 8 18 8 7 6 4 34 49 5 2 10 10 2 3 1 2 0 14 8 39 35 52 100 16 5 82 19 57 38 23 22 18 4 1 1 11 3 8 58 9 5 1 2 3 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 0 0 1 1 0 1 0 0 0 0 1 1 0 0 0 0 0 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 0 1 1 1 1 0 1 1 0 0 0 0 0 1 1 0 0 0 1 0 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 2 1 1 1 1 1 1 3 4 5 4 5 17 15 15 100 79 29 15 7 3 2 3 3 1 1 3 2 2 1 2 3 1 2 2 3 3 10 16 33 52 25 7 3 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 84 84 dd 2H J 11 33 \| 84 83 s 1H \| 77 77 dd 1H J 22 44 \| 76 75 m 1H \| 75 74 m 2H \| 73 72 m 2H \| 26 26 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1ccc(N)c(F)c1	ir: 30 27 26 17 15 14 15 24 11 11 5 9 5 7 12 4 7 7 5 6 3 6 7 3 2 4 15 11 11 21 6 6 2 5 4 28 2 17 11 6 4 4 4 3 4 5 4 1 4 5 3 4 4 10 42 13 44 9 3 0 3 6 3 1 4 8 9 5 16 7 4 2 5 6 3 3 12 6 7 5 4 4 2 1 4 4 1 2 4 4 2 8 7 9 10 4 5 3 1 2 8 12 8 3 5 3 0 6 16 14 3 3 6 2 0 3 7 4 3 6 10 5 0 7 36 38 28 8 4 2 1 3 4 2 1 5 5 2 1 4 5 15 16 28 10 5 3 4 4 7 5 7 8 8 17 18 34 60 30 10 4 3 9 72 5 3 3 3 3 1 2 4 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 4 2 1 3 4 1 2 3 3 1 1 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 0 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 2 4 3 2 2 4 3 1 2 3 3 1 2 4 4 2 3 5 3 2 3 6 6 7 9 17 27 7 25 20 6 3 4 4 3 1 3 4 2 1 3 4 3 2 5 71 66 5 3 3 2 2 3 4 2 4 100 51 38 61 11 5 2 2 4 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 5 2 2 3 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 4; 1HNMR: 76 76 m 2H \| 71 70 m 1H \| 38 38 d 2H J 35 \| 26 26 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(CNC4CC4)C3)nc21	ir: 3 1 1 1 2 1 1 4 2 4 2 4 2 4 4 7 14 6 2 6 16 100 17 2 0 6 4 2 5 3 6 1 3 5 4 9 5 7 15 12 5 9 9 9 13 3 4 8 60 31 4 15 3 3 1 0 4 3 1 3 2 0 4 2 4 9 3 2 7 10 3 1 4 1 2 3 34 38 2 2 1 1 3 1 1 3 1 5 3 2 2 2 4 3 3 1 2 4 5 11 47 4 2 11 9 13 4 5 3 4 2 1 14 17 11 14 2 8 6 5 8 7 3 13 7 7 12 4 2 1 1 1 3 4 2 1 2 5 15 21 7 1 1 11 3 3 2 16 5 5 22 4 17 34 13 6 3 1 1 5 23 7 35 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 1 1 1 1 2 2 1 4 2 6 1 4 4 6 9 10 9 3 1 2 2 3 17 1 1 1 1 2 1 9 9 32 39 17 3 2 2 1 1 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 t 1H J 9 \| 80 80 d 1H J 121 \| 46 45 qd 2H J 9 83 \| 39 38 m 1H \| 37 36 m 2H \| 35 34 ddd 1H J 55 73 132 \| 29 29 dt 1H J 46 64 \| 29 28 dt 1H J 44 126 \| 26 25 m 2H \| 21 20 m 2H \| 19 18 dddd 1H J 41 57 75 130 \| 14 13 t 3H J 82 \| 9 8 m 2H \| 6 6 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Brc1ncccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1	ir: 1 1 1 1 1 1 2 2 1 5 2 1 1 1 1 1 2 1 4 2 10 2 1 1 1 1 2 2 11 6 6 4 15 7 5 3 7 12 3 1 8 14 6 8 4 4 16 7 3 2 20 7 7 2 28 2 2 2 1 0 1 7 5 6 4 1 5 5 3 5 4 11 2 1 2 2 2 1 1 3 2 2 14 3 2 7 1 1 2 8 4 1 3 3 0 3 7 3 1 1 2 1 1 1 2 1 1 2 1 2 2 2 0 21 39 59 9 4 1 6 6 1 0 4 100 9 22 22 0 2 2 1 1 2 4 10 1 4 18 3 1 3 6 26 3 1 2 4 2 1 1 2 4 3 2 5 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 3 2 2 2 1 2 2 2 7 7 5 80 67 6 4 1 1 2 1 2 1 3 1 1 1 1 1 1 1 4 5 23 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 81 dd 1H J 22 40 \| 75 74 m 2H \| 74 73 m 3H \| 72 72 dd 1H J 40 79 \| 72 71 dd 1H J 21 80 \| 52 52 m 1H \| 39 39 ddd 1H J 16 43 77 \| 39 38 ddd 1H J 20 38 113 \| 36 35 ddd 1H J 19 38 114 \| 31 31 ddd 1H J 16 50 130 \| 30 29 m 2H \| 29 28 ddd 1H J 44 51 132 \| 24 23 tt 1H J 40 51	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CC1CC=C(c2cccc(C(F)F)n2)CC1	ir: 6 4 5 3 5 4 5 3 3 4 4 3 2 3 3 3 4 4 3 3 3 5 3 2 3 4 4 2 9 3 3 5 2 3 5 3 3 3 5 2 2 3 3 1 4 8 7 100 13 0 3 6 3 1 3 3 4 2 3 4 3 4 6 6 4 7 3 8 3 4 8 11 7 23 9 13 5 2 4 7 6 10 5 3 2 2 3 3 2 2 3 4 6 3 4 3 3 5 4 3 4 4 3 4 6 6 9 6 5 8 5 5 5 5 8 8 4 8 11 10 4 9 8 7 2 4 4 7 7 5 5 3 3 6 10 6 4 7 11 44 7 3 3 9 15 13 5 4 3 3 3 6 6 12 5 4 10 3 4 7 4 3 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 2 2 3 3 3 2 3 3 3 3 5 5 4 4 3 7 6 2 6 13 28 8 11 51 27 9 4 3 3 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 78 78 dd 1H J 77 98 \| 75 74 ddq 1H J 9 19 92 \| 72 71 dd 1H J 11 77 \| 70 69 s 0H \| 66 65 dddd 1H J 9 17 51 69 \| 42 41 q 2H J 65 \| 30 29 m 1H \| 28 27 m 1H \| 24 23 m 2H \| 22 21 m 3H \| 20 19 m 1H \| 18 17 m 1H \| 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.
O=C(CCCl)c1cccc(Cl)c1	ir: 0 0 1 1 1 1 1 2 1 1 1 1 1 1 0 0 0 0 0 0 0 0 3 2 1 2 1 9 2 1 2 13 18 11 4 5 3 1 3 25 19 13 3 1 1 2 3 17 16 3 1 1 1 1 2 9 5 1 1 0 0 0 1 0 1 1 9 7 3 0 1 3 2 0 0 1 0 1 1 6 5 1 0 0 0 0 0 1 0 1 5 10 1 0 0 0 0 1 1 1 1 2 4 4 2 2 3 9 13 3 1 2 1 1 1 2 3 6 10 4 8 1 2 5 8 5 4 2 3 1 2 14 34 4 3 1 1 1 1 1 4 6 65 100 9 1 0 0 0 0 1 1 3 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 1 3 5 2 1 1 1 2 1 3 46 31 6 14 47 13 5 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 t 1H J 22 \| 79 78 ddd 1H J 12 22 81 \| 78 77 ddd 1H J 12 21 80 \| 75 74 t 1H J 81 \| 39 38 t 2H J 36 \| 34 34 t 2H J 35	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C2CCN(Cc3ccccc3)CC2O)cc1	ir: 6 5 7 3 5 9 15 19 12 8 5 6 5 5 5 6 3 2 2 1 1 3 4 4 1 7 5 1 2 4 6 7 5 5 4 2 2 2 19 15 11 12 2 2 2 4 2 3 2 2 2 3 9 1 6 5 2 2 2 3 5 4 2 2 4 4 2 4 23 10 3 8 7 2 3 3 10 9 10 8 28 4 7 4 38 46 29 26 15 11 5 2 3 3 1 12 14 5 3 10 12 5 1 4 4 2 2 2 2 2 1 2 2 3 1 2 4 3 2 2 5 3 5 5 6 4 2 3 2 1 1 4 4 2 7 35 26 1 2 3 3 1 7 15 12 4 3 3 17 5 2 5 10 6 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 3 3 3 3 1 1 2 3 2 6 9 16 47 100 30 12 9 3 4 3 3 7 3 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 73 72 m 5H \| 71 71 m 4H \| 41 40 ddt 1H J 40 53 60 \| 37 36 m 2H \| 34 34 d 1H J 53 \| 31 31 td 1H J 51 60 \| 31 30 dd 1H J 40 117 \| 29 27 m 2H \| 26 26 ddd 1H J 57 84 121 \| 23 23 s 2H \| 22 21 ddt 1H J 56 84 129 \| 19 18 ddt 1H J 54 82 128	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(C(F)(F)F)ccc1-c1cc(Nc2cccc3c2CC(O)C3)ncn1	ir: 9 6 12 11 5 19 5 5 1 8 16 6 14 5 6 3 2 7 7 4 4 4 5 15 13 16 15 11 6 3 2 3 2 12 17 16 38 13 12 9 16 10 13 18 7 17 5 6 8 6 3 1 2 6 23 16 15 6 4 1 7 6 4 4 4 8 17 6 16 7 4 4 2 2 2 2 4 6 2 1 2 2 2 6 9 29 23 8 23 18 7 14 21 11 6 5 6 9 26 13 6 3 1 1 3 2 2 2 7 13 7 4 9 12 21 7 8 8 8 4 7 3 4 4 10 3 5 9 8 12 4 5 5 1 1 7 20 7 9 6 7 5 3 6 7 100 8 12 21 10 9 66 25 35 20 12 14 5 4 20 29 52 20 20 28 14 3 3 2 0 2 3 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 2 1 1 2 2 0 1 2 1 1 2 2 2 2 3 2 2 1 4 5 4 10 46 2 10 75 62 10 4 1 5 10 20 56 6 2 2 2 2 3 2 3 2 2 3 3 4 7 5 23 50 87 39 9 5 8 4 2 3 2 0 1 3 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 85 85 d 1H J 14 \| 83 82 m 2H \| 79 79 d 1H J 113 \| 77 76 m 1H \| 71 71 d 1H J 14 \| 71 70 m 2H \| 69 68 m 2H \| 44 43 pd 1H J 46 57 \| 33 32 dd 1H J 60 170 \| 32 31 m 1H \| 30 29 m 2H \| 29 28 m 1H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C=C1CN(CCF)CCC1=O	ir: 15 7 9 5 4 2 1 9 14 18 22 7 13 11 64 10 5 10 5 2 2 2 2 1 1 1 2 2 2 18 14 13 2 12 44 11 1 2 3 1 2 1 1 1 9 2 6 6 14 10 6 10 12 16 5 21 29 5 2 2 4 12 18 9 16 30 21 26 15 28 44 12 5 5 7 2 8 8 65 25 3 2 7 4 8 25 39 7 13 7 34 37 12 33 12 2 6 4 4 4 3 52 6 18 100 22 17 13 10 6 5 6 4 4 3 3 4 7 10 3 6 4 2 7 21 5 5 19 22 6 5 13 19 20 14 20 5 4 4 2 2 2 2 5 3 30 81 29 7 4 2 2 1 0 0 1 0 1 2 9 88 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 3 3 8 5 5 3 2 4 4 2 2 17 21 15 14 24 5 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 dq 1H J 10 19 \| 46 46 t 1H J 45 \| 45 45 t 1H J 44 \| 36 35 d 2H J 10 \| 31 30 d 6H J 11 \| 29 29 m 3H \| 29 28 t 1H J 44 \| 25 25 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cc2c(cc1OCC)[C@@H]1CN(C)CC[C@@H]1N=C2c1ccc(N)cc1	ir: 49 33 25 19 28 24 12 11 17 14 9 6 7 10 7 12 9 8 8 7 4 8 4 4 4 7 4 7 6 3 4 7 6 8 5 6 5 5 6 4 5 6 3 4 5 5 8 3 5 5 3 5 4 7 16 0 20 6 6 6 4 5 7 3 4 5 4 29 17 11 9 9 7 10 8 12 12 13 9 19 11 9 4 11 5 3 3 5 20 27 10 4 4 3 4 11 5 6 6 5 4 4 5 4 3 4 11 4 4 3 2 4 8 9 11 7 4 6 9 9 12 25 7 7 6 4 13 14 6 4 4 5 3 3 3 3 3 3 2 2 3 3 4 27 2 5 5 5 8 10 27 5 7 19 30 30 78 20 13 6 5 4 5 33 23 2 2 4 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 2 2 2 3 3 4 2 4 3 3 4 4 3 5 3 6 4 5 6 18 6 11 40 32 6 6 3 3 2 2 3 2 2 2 2 2 2 2 3 4 10 67 9 2 2 3 3 3 5 4 11 4 100 45 23 7 8 3 3 3 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 4 6 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; 1HNMR: 76 75 m 2H \| 68 68 s 1H \| 68 67 m 3H \| 44 44 s 2H \| 42 40 dq 4H J 62 188 \| 39 38 ddd 1H J 39 54 68 \| 34 33 tdd 1H J 7 26 53 \| 32 31 dd 1H J 26 110 \| 29 28 m 2H \| 27 27 ddd 1H J 62 90 117 \| 23 23 s 2H \| 22 21 m 1H \| 19 18 ddt 1H J 64 90 115 \| 15 14 t 6H J 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(=O)Nc1cccc(-c2n[nH]c3ccc(-c4nc[nH]n4)cc23)c1	ir: 2 3 6 6 4 2 3 5 2 2 4 4 2 2 2 2 2 1 2 2 2 2 2 2 3 3 2 1 1 2 1 2 2 2 3 13 3 1 2 1 2 3 5 9 3 7 7 8 4 5 6 5 3 3 6 2 2 2 2 1 3 2 2 2 2 2 3 2 8 9 9 3 3 2 2 4 3 1 5 4 3 8 2 2 1 1 1 2 4 3 3 2 2 2 6 29 5 2 4 3 11 13 4 3 7 17 4 9 5 3 11 12 9 3 5 3 3 3 8 3 5 3 4 5 6 4 5 4 7 10 4 2 2 3 2 5 5 3 2 3 3 2 3 2 4 4 4 11 5 3 4 2 4 3 2 3 14 7 12 3 2 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 2 2 3 2 3 2 3 2 3 3 3 5 11 23 6 7 38 48 11 4 2 5 3 2 0 3 10 100 31 6 1 7 3 3 2 2 2 2 3 7 9 6 7 9 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 88 s 1H \| 84 83 dd 2H J 24 44 \| 80 80 dd 1H J 25 102 \| 79 79 m 1H \| 78 77 d 1H J 102 \| 77 76 m 1H \| 76 75 m 2H \| 23 22 t 2H J 62 \| 17 16 qt 2H J 62 75 \| 10 9 t 3H J 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C(=O)O/N=C(\N)c1ccc2c(c1)OCO2)c1ccccc1	ir: 2 2 7 4 2 5 4 2 2 2 3 3 1 4 3 4 2 5 6 6 4 2 8 4 5 3 1 4 2 1 5 3 3 3 4 2 3 2 1 3 7 4 4 1 1 1 1 1 1 1 2 1 1 2 9 6 2 3 1 1 3 2 1 0 3 11 4 8 10 2 2 3 2 2 1 3 4 3 2 1 1 1 1 1 1 0 0 1 1 0 2 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 0 1 1 1 3 1 1 3 3 2 2 2 2 2 3 0 1 1 2 6 1 2 1 1 2 1 1 4 6 2 1 1 3 6 8 2 5 6 17 9 2 3 4 9 20 6 8 3 2 2 1 1 1 1 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8 5 13 23 10 4 2 2 1 1 1 1 1 0 1 1 0 0 1 2 4 8 21 3 1 2 1 1 0 0 1 2 1 100 40 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 m 6H \| 73 72 m 1H \| 71 71 d 1H J 21 \| 68 67 d 1H J 84 \| 60 60 s 2H \| 46 46 s 2H \| 15 15 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2Br)ccc1C(=O)NC1CSC1	ir: 4 7 4 5 3 5 2 1 4 6 10 10 3 3 3 2 3 4 3 4 5 5 6 5 5 14 10 4 3 2 6 14 50 49 14 3 6 16 10 27 70 65 13 13 8 12 6 3 3 3 2 0 3 3 7 5 8 3 2 2 4 14 5 5 7 11 16 11 10 3 15 17 4 5 3 1 2 4 4 2 2 2 7 2 3 2 3 10 9 2 4 12 8 9 8 5 4 12 7 13 37 29 15 7 4 4 33 17 2 3 2 2 2 1 1 5 3 5 3 6 5 4 6 5 15 17 30 14 64 13 5 6 35 41 20 6 3 7 9 8 9 27 11 17 57 13 13 18 25 27 66 53 16 25 7 9 8 4 14 4 3 4 1 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 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 2 1 1 1 1 4 4 3 6 5 8 9 8 9 55 27 100 39 24 16 4 4 4 3 2 2 2 2 2 3 3 5 3 5 4 3 6 13 11 31 61 25 9 6 3 3 2 2 2 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 20 79 \| 79 78 d 1H J 79 \| 75 75 m 1H \| 74 74 d 2H J 21 \| 73 73 t 1H J 22 \| 71 70 d 1H J 70 \| 53 52 q 1H J 22 \| 49 49 dt 1H J 31 70 \| 32 31 dd 2H J 32 124 \| 30 29 dd 2H J 32 124 \| 24 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ncc(-c2cnc(C(=O)OC(C)(C)C)s2)cn1	ir: 8 5 5 5 8 9 5 7 4 13 21 7 8 13 8 9 12 24 10 9 14 12 13 12 11 8 17 8 7 5 10 10 7 19 34 20 18 4 10 6 4 10 14 5 7 5 5 7 37 40 5 3 4 8 8 3 6 7 5 7 4 7 8 8 7 10 6 19 8 9 3 4 5 7 6 5 4 5 3 3 4 5 3 10 8 6 3 3 4 4 4 4 6 5 3 5 5 5 7 5 12 9 6 8 22 5 4 4 4 4 6 7 7 7 13 19 5 6 7 7 8 10 21 12 35 9 10 9 20 7 16 46 43 7 5 5 5 4 7 8 6 6 35 24 8 0 4 56 100 11 6 7 12 8 5 4 4 5 5 7 25 3 3 4 3 4 4 4 4 3 4 4 4 3 3 4 3 3 4 4 4 4 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 4 4 4 6 5 4 5 6 5 4 5 5 4 5 6 8 10 22 7 7 5 7 10 5 5 4 5 5 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4; 1HNMR: 90 90 s 2H \| 85 85 s 1H \| 25 24 s 3H \| 16 15 s 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C(OC(=O)NCC1(CC(=O)O)CCCCC1)OC(=O)c1cccnc1	ir: 14 3 1 15 3 4 6 3 5 8 4 3 7 7 6 4 10 8 5 5 13 56 14 12 6 7 5 12 13 16 9 34 17 53 33 1 8 4 4 5 4 4 4 2 2 2 4 4 3 3 3 2 2 2 3 9 3 3 2 5 4 4 5 8 2 5 4 1 6 1 4 4 9 3 5 6 4 8 14 35 10 14 27 12 6 9 6 3 3 2 2 1 2 1 2 1 2 4 2 2 2 3 3 5 4 6 3 3 8 6 6 6 13 16 4 14 4 8 7 4 5 6 12 7 14 6 3 13 6 5 6 5 9 4 3 5 5 7 13 10 8 5 12 34 17 55 31 13 11 100 5 4 4 2 2 22 2 1 2 2 6 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 3 1 1 2 3 4 3 2 4 1 4 2 3 2 11 5 7 6 27 3 2 1 2 3 4 0 67 89 4 2 3 1 1 1 2 1 3 3 2 4 20 67 23 11 8 4 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 92 91 t 1H J 18 \| 88 87 ddd 1H J 16 26 48 \| 82 81 m 1H \| 75 74 dd 1H J 48 80 \| 63 62 dh 1H J 15 60 \| 55 55 t 1H J 56 \| 33 32 d 2H J 57 \| 24 22 m 1H \| 23 23 s 2H \| 16 15 m 4H \| 15 14 m 4H \| 14 13 m 2H \| 11 10 ddd 6H J 16 77 212	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1	ir: 9 11 6 5 17 15 5 6 15 12 44 23 9 6 5 4 2 9 5 3 4 7 6 7 6 2 3 4 3 1 2 3 2 2 2 4 4 7 8 21 35 12 11 6 8 14 12 5 4 6 3 6 6 2 10 30 45 20 6 9 6 3 5 6 4 1 3 3 1 9 3 4 2 1 2 3 2 2 2 2 2 2 2 2 1 2 5 8 5 6 7 4 2 3 3 2 4 3 2 4 3 6 6 6 25 4 4 3 3 4 7 22 19 5 10 5 4 11 33 20 22 9 22 5 3 5 8 7 3 16 16 12 7 2 2 4 7 24 9 3 4 2 3 12 15 4 2 6 11 26 75 100 72 32 13 2 6 6 3 0 1 3 11 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 2 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 2 2 1 3 4 3 1 2 3 4 2 2 2 3 4 5 13 30 14 26 47 25 7 6 3 3 2 2 3 2 2 2 4 2 2 2 2 2 3 3 5 10 10 24 53 40 14 6 3 1 2 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 86 86 s 1H \| 74 74 m 2H \| 70 69 m 2H \| 37 36 m 4H \| 35 35 m 5H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCc1cn(Cc2ccc(O)cc2)nc1-c1ccccc1	ir: 7 6 2 2 5 3 1 5 3 6 6 3 2 6 2 1 1 3 4 12 9 5 5 1 2 2 2 3 6 1 4 8 8 2 2 2 3 5 9 17 8 11 30 6 3 4 2 4 3 4 5 3 6 11 6 14 37 7 12 11 3 5 3 0 7 9 9 6 13 20 4 3 1 0 1 5 8 2 7 14 82 9 2 1 3 3 4 6 35 14 3 0 3 3 1 4 5 16 4 3 4 2 2 1 2 2 3 2 7 5 2 3 1 6 11 5 2 4 5 7 11 3 3 6 4 4 2 4 3 4 5 4 8 3 18 33 44 8 4 1 2 5 16 5 31 13 6 10 19 4 5 4 11 3 1 3 1 1 1 1 1 4 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 3 2 3 5 3 1 1 2 2 5 4 17 8 28 100 39 19 20 11 5 8 17 70 13 7 3 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 76 76 s 1H \| 76 75 dtd 2H J 20 30 81 \| 74 74 m 3H \| 72 71 dq 2H J 9 81 \| 71 71 p 1H J 9 \| 67 67 m 2H \| 54 54 q 2H J 9 \| 37 36 s 2H \| 31 30 m 2H \| 28 28 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C(=O)NN)ccn1	ir: 1 1 1 1 1 2 1 1 0 1 1 1 1 2 1 1 0 2 1 1 1 1 1 1 1 1 4 2 1 1 2 13 16 21 3 3 2 2 27 19 30 2 3 1 1 0 4 1 3 2 2 1 1 1 1 1 1 0 1 2 2 5 5 15 26 22 12 7 6 9 3 0 3 5 3 1 2 2 1 0 1 1 0 1 2 3 3 7 32 11 1 1 1 0 1 0 1 0 1 1 1 1 0 0 1 0 0 0 1 2 2 2 1 1 0 6 2 1 1 1 2 1 1 3 3 1 1 1 2 0 0 1 8 100 25 8 2 6 4 2 0 4 55 20 21 3 1 2 12 39 16 6 5 2 4 1 1 1 1 1 1 1 9 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 1 0 1 1 1 1 1 2 3 4 26 4 8 1 0 1 1 0 0 1 1 0 1 3 9 11 8 3 1 3 7 4 35 17 40 16 12 4 2 1 2 1 0 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 88 t 1H J 42 \| 83 83 d 1H J 46 \| 77 77 dd 1H J 22 46 \| 72 72 d 1H J 22 \| 46 46 d 2H J 40 \| 40 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(C=O)cnc1C1=NC(C)(C(C)C)C(=O)N1	ir: 11 13 9 8 10 7 7 8 9 9 12 10 10 7 7 8 8 8 9 13 11 16 20 9 11 26 7 8 12 8 7 12 10 16 57 36 20 16 11 11 22 16 9 8 8 10 12 7 7 8 7 7 8 8 8 8 7 7 7 6 8 20 30 21 8 6 7 7 8 8 7 7 8 8 8 10 9 7 9 7 9 14 9 10 11 7 7 7 7 7 8 10 11 8 7 7 8 12 10 26 18 8 8 7 10 10 8 7 7 7 13 8 7 7 8 12 15 15 14 12 9 17 9 14 19 37 37 21 15 8 14 11 8 7 7 7 6 7 7 7 7 8 9 50 8 15 17 21 24 15 9 6 6 11 13 0 100 22 12 14 7 7 9 12 7 7 7 7 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 7 7 7 7 6 7 7 6 6 7 7 6 7 7 7 6 6 7 7 6 6 7 7 6 9 9 7 7 7 7 7 7 7 9 8 8 8 12 16 9 11 16 10 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 8 8 10 18 17 40 76 15 10 8 8 8 7 7 7 7 6 7 7 7 7 7 7 7 7 7 7 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 7 7 7 6 7 7 7 6 6 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6; 1HNMR: 95 94 s 1H \| 90 90 d 1H J 17 \| 89 89 d 1H J 18 \| 39 38 s 3H \| 22 21 m 1H \| 15 15 d 3H J 14 \| 10 10 d 3H J 75 \| 10 10 d 4H J 75	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2CO)cc1	ir: 10 9 10 4 8 17 6 14 18 6 12 31 18 16 13 18 14 8 19 5 9 12 14 10 6 7 9 9 4 6 2 3 11 3 3 1 3 6 7 12 2 3 2 1 2 2 2 2 2 5 5 2 10 15 5 9 4 2 4 8 8 11 8 5 9 3 3 3 5 6 6 9 19 4 5 2 6 4 8 14 61 67 16 31 68 25 25 29 35 37 28 100 20 28 74 41 25 16 5 10 3 5 3 5 3 3 2 2 3 3 2 2 3 1 1 1 2 2 1 7 6 3 4 8 24 11 4 5 7 2 2 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 4 4 1 2 2 1 5 1 1 1 1 0 1 1 6 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 2 1 0 1 2 2 1 1 2 2 1 2 4 3 2 2 2 3 1 7 10 23 27 12 7 6 5 23 74 27 93 47 23 8 3 3 3 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 74 74 s 4H \| 45 44 dtdd 1H J 12 33 56 85 \| 39 39 ddd 1H J 55 66 95 \| 37 36 m 2H \| 35 34 ddd 1H J 17 29 123 \| 33 32 dd 1H J 48 123 \| 30 29 t 1H J 55 \| 24 24 d 1H J 53 \| 24 24 s 3H \| 23 22 m 1H \| 19 18 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=CCO)CCC(C)=C(C)C	ir: 3 3 1 2 3 2 0 2 3 2 1 2 3 2 1 1 1 1 1 2 3 1 1 1 1 1 0 1 2 0 1 1 1 0 0 2 1 0 1 2 1 0 1 3 3 5 2 3 2 0 1 2 2 0 1 2 2 4 5 6 3 3 3 3 3 10 3 4 3 6 7 8 6 10 34 7 3 1 3 6 2 6 24 52 100 71 31 10 7 5 4 7 4 3 2 2 2 2 2 3 2 2 2 2 1 2 2 2 1 2 4 4 4 4 3 2 2 3 4 4 5 10 6 4 2 2 2 1 1 3 2 2 1 3 5 3 1 3 2 2 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 5 10 7 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 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 3 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 2 4 2 1 4 2 3 1 1 3 3 2 12 13 24 18 16 3 1 2 2 2 3 2 20 32 13 3 2 2 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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; 1HNMR: 54 53 tq 1H J 12 68 \| 42 41 ddq 2H J 10 57 67 \| 32 31 t 1H J 56 \| 22 21 m 4H \| 17 17 ddd 9H J 11 21 45 \| 17 16 dq 3H J 12 24	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCCOC(=O)c1cccc(-n2cccc2)c1	ir: 4 1 1 3 4 3 2 2 5 2 6 5 1 3 1 1 2 1 1 1 1 1 1 5 2 1 4 7 10 15 5 5 17 5 6 14 25 19 32 6 6 0 1 2 1 0 2 1 12 1 1 1 1 0 0 1 1 0 0 1 0 1 1 1 0 0 2 4 6 4 1 1 1 7 1 11 1 1 1 5 1 0 0 1 1 0 0 1 2 2 0 0 1 1 1 1 2 1 1 1 1 1 0 0 1 1 0 0 1 0 4 9 2 5 2 2 2 2 10 5 8 12 0 5 6 9 4 4 21 5 5 3 2 1 1 1 1 1 2 6 4 3 3 19 37 100 44 8 8 28 5 2 4 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 1 1 1 1 1 1 1 1 2 1 12 6 11 13 25 16 5 58 28 1 2 3 2 1 1 1 0 0 1 1 1 0 1 2 3 4 14 28 17 9 4 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 81 m 1H \| 79 78 m 1H \| 75 75 m 2H \| 71 70 m 2H \| 63 62 t 2H J 31 \| 54 53 t 1H J 52 \| 45 44 t 2H J 45 \| 36 36 dt 2H J 46 54 \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCCCc1nnn(C(C)(C)C(=O)O)n1	ir: 0 0 1 0 0 1 1 1 2 2 2 1 3 2 1 4 5 2 2 5 16 17 9 8 5 4 1 1 0 1 2 1 0 0 0 0 1 0 1 1 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 1 0 1 0 0 0 0 0 0 1 1 1 1 2 5 6 2 1 2 1 3 2 2 3 2 1 1 1 0 0 1 1 1 0 0 0 0 0 0 1 1 1 1 1 2 3 1 2 3 1 2 5 2 2 2 4 2 2 2 2 2 2 1 2 2 3 2 4 2 1 1 0 1 0 1 1 3 2 2 2 2 5 12 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 2 1 1 1 1 1 1 1 2 5 6 2 1 1 0 0 1 1 1 0 1 5 34 100 4 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 29 28 t 2H J 77 \| 20 19 tt 2H J 78 92 \| 17 17 s 5H \| 15 14 m 2H \| 14 12 m 18H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC1CC(C(=O)OC)(C(=O)OC)C1	ir: 8 9 12 27 15 11 2 29 28 78 25 26 28 21 19 9 17 32 19 14 6 5 5 3 3 4 6 3 4 4 5 5 2 4 3 1 1 3 3 3 4 5 2 2 2 3 2 0 2 3 2 0 2 4 5 3 7 7 3 4 5 6 4 1 4 4 4 1 4 4 4 8 10 4 4 11 8 5 3 3 4 4 5 2 4 4 5 4 11 14 33 20 9 12 4 8 10 5 9 13 43 74 86 53 26 7 3 4 13 11 16 20 10 33 63 17 21 13 16 10 18 6 4 5 5 2 2 3 5 2 2 3 6 5 7 6 9 5 6 7 8 6 9 10 14 8 24 100 46 13 3 4 2 2 1 2 2 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 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 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 3 5 1 3 4 3 3 11 11 19 10 18 13 8 20 18 12 13 5 3 4 2 0 2 2 1 0 1 2 1 0 2 2 1 0 1 2 1 0 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 37 37 s 5H \| 25 24 dd 2H J 58 125 \| 22 21 dd 2H J 59 125 \| 19 18 hept 1H J 59 \| 14 12 m 7H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1cn(C(c2ccc(-c3ccsc3)nc2)C2CC2)cn1	ir: 4 2 0 3 6 4 2 3 7 3 0 3 4 2 0 3 5 1 2 4 4 2 1 4 4 1 1 5 6 7 9 17 13 17 7 11 8 4 4 6 12 9 20 32 6 3 5 9 6 8 3 4 8 0 8 5 4 3 10 11 8 4 6 4 5 3 11 9 14 19 9 7 8 2 3 4 2 3 8 7 8 5 10 7 12 3 7 24 10 10 7 19 7 12 8 19 10 7 10 13 7 7 13 8 5 3 10 6 8 3 5 2 1 4 6 8 3 7 7 3 1 2 4 2 3 4 7 4 1 3 5 2 2 5 7 4 6 5 5 4 4 6 9 6 5 7 9 22 16 14 14 8 3 4 3 1 2 3 2 0 2 4 2 0 3 5 3 1 3 6 2 0 2 4 2 0 2 3 2 0 4 4 3 0 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 4 3 1 3 4 8 15 21 48 35 13 47 54 100 34 21 9 13 6 4 3 2 2 3 3 2 2 4 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 84 84 m 1H \| 78 78 t 1H J 17 \| 76 76 m 2H \| 76 76 dd 1H J 17 58 \| 75 75 m 1H \| 74 74 dd 1H J 16 59 \| 72 72 ddd 1H J 7 17 42 \| 70 70 dd 1H J 17 41 \| 49 49 m 1H \| 23 22 h 1H J 56 \| 15 14 m 2H \| 12 12 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CC(N2CCCCC2)C[C@H]1c1nc2cc(Br)sc2c(=O)[nH]1	ir: 1 2 3 5 2 2 1 1 1 1 7 4 2 3 16 1 0 1 4 3 2 1 1 1 1 1 3 0 1 1 4 0 2 1 1 2 1 1 1 1 1 1 1 2 1 5 2 45 3 1 1 1 1 1 1 2 3 1 1 1 1 2 1 1 1 1 1 0 1 1 1 6 1 4 3 4 2 1 1 0 1 1 1 8 6 3 1 1 0 1 5 2 1 1 1 1 1 1 5 2 4 2 1 1 0 1 1 1 9 5 4 1 1 1 3 6 2 2 2 1 2 2 3 2 2 1 1 2 10 4 3 13 3 1 2 11 2 1 1 1 1 1 2 1 1 10 1 1 1 0 2 100 2 1 1 9 1 0 1 1 44 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 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 5 7 2 1 1 1 5 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 2 6 12 20 8 2 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 73 73 s 1H \| 44 44 ddd 1H J 18 40 58 \| 38 37 dd 1H J 40 108 \| 36 35 ddd 1H J 18 41 108 \| 30 29 tt 1H J 39 53 \| 28 27 ddd 2H J 41 58 120 \| 26 25 ddd 2H J 41 58 120 \| 23 22 m 1H \| 20 19 dt 1H J 56 119 \| 16 15 qt 4H J 39 59 \| 15 14 s 10H \| 15 14 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNC(=O)c1c(C(F)(F)F)sc2nc(Cn3nc(C4CC4)cc3C(F)(F)F)cc(=O)n12	ir: 11 2 4 3 1 3 2 1 1 2 3 1 1 3 2 17 5 7 5 4 5 9 5 2 1 3 9 5 3 3 7 2 15 8 2 8 15 4 11 7 16 82 26 10 8 8 7 6 10 18 7 1 5 2 3 0 2 12 3 2 1 2 0 0 8 13 9 100 18 8 7 3 4 8 8 1 2 2 1 1 1 1 1 2 2 7 4 2 3 3 6 2 3 8 4 3 5 20 61 46 25 2 6 33 4 3 20 6 4 17 1 3 9 5 2 4 1 2 2 5 14 5 4 7 2 4 3 3 6 12 5 2 8 1 2 4 8 5 1 6 7 5 10 7 9 18 29 6 5 21 5 32 38 7 5 3 2 4 1 1 1 1 44 1 1 1 1 1 0 0 0 1 0 0 0 0 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 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 1 1 2 2 2 2 1 1 2 6 5 6 7 5 10 11 19 10 14 3 4 1 2 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 3 1 4 3 4 11 8 9 27 17 5 3 2 3 3 4 2 1 1 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 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: 84 83 t 1H J 48 \| 65 65 t 1H J 13 \| 60 59 m 1H \| 51 51 d 2H J 13 \| 33 32 qd 2H J 47 65 \| 19 18 pd 1H J 7 52 \| 13 12 t 3H J 64 \| 12 11 m 2H \| 10 9 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(=CNc1ccccc1OC)C(=O)C(C)C	ir: 1 1 1 3 3 1 1 2 1 1 1 1 2 1 1 3 4 1 4 2 1 1 2 1 0 1 1 1 0 0 1 1 1 1 4 2 4 2 1 2 2 12 18 11 6 15 7 9 43 100 12 5 3 2 1 1 1 2 0 1 1 1 2 4 2 0 2 1 2 13 1 1 1 3 2 1 3 2 1 1 0 1 1 3 2 1 0 0 0 0 1 1 0 0 0 1 1 1 2 2 1 0 0 0 0 2 4 2 2 1 2 1 0 3 2 1 1 1 6 9 8 3 1 1 1 1 2 4 2 1 1 3 5 5 4 6 4 22 8 5 2 1 4 4 19 13 21 24 9 3 3 2 8 4 1 1 1 1 1 1 3 1 1 1 1 1 1 2 5 5 7 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 1 1 0 0 1 1 0 0 1 2 1 1 1 4 2 4 3 7 10 9 3 1 0 2 1 0 1 0 1 0 0 0 1 1 1 1 1 0 1 1 4 7 7 8 52 5 20 5 6 3 4 1 2 0 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 87 d 1H J 73 \| 84 84 d 1H J 73 \| 73 73 dd 1H J 13 80 \| 70 70 td 1H J 11 79 \| 69 69 dd 1H J 13 82 \| 68 67 td 1H J 13 80 \| 43 43 q 2H J 71 \| 40 39 s 3H \| 31 30 hept 1H J 69 \| 13 12 t 3H J 71 \| 11 11 d 6H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CN1C(=O)CN=C(c2ccccn2)c2cc(Br)ccc21	ir: 3 4 7 14 6 2 3 2 2 6 3 2 14 4 2 1 2 4 3 4 4 2 6 15 5 5 4 2 4 4 3 4 5 2 3 3 16 8 8 47 6 2 3 3 1 0 2 2 8 3 3 4 4 7 38 30 1 1 1 3 1 1 2 4 2 3 2 3 4 7 16 4 14 3 4 5 4 1 4 6 2 3 3 4 7 6 1 1 0 0 1 1 1 1 2 1 1 2 3 2 1 2 3 6 5 2 2 2 4 15 5 2 1 1 3 4 2 6 6 17 7 7 29 2 5 11 1 5 8 1 5 7 14 2 5 6 21 7 1 2 2 1 3 6 37 4 16 8 10 41 19 2 2 9 9 2 1 5 35 1 0 1 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 2 8 3 1 1 1 1 3 4 6 8 9 15 100 32 9 5 2 2 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 86 dd 1H J 15 43 \| 79 78 m 2H \| 75 74 m 3H \| 74 73 ddd 1H J 19 42 68 \| 48 48 s 2H \| 44 43 s 2H \| 37 37 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(NC(=O)NC2CC2)ccc(Oc2ccnc3cc(O)c(C#N)cc23)c1C	ir: 3 2 2 4 2 2 1 1 2 2 2 2 1 2 2 2 5 3 3 2 2 6 22 10 12 8 4 3 2 3 4 7 3 4 17 11 5 10 10 17 21 64 67 60 23 4 4 2 5 9 25 9 7 19 11 18 24 7 5 1 2 1 1 1 1 2 4 4 19 71 5 4 11 10 7 3 5 15 6 4 4 5 5 23 14 6 3 7 3 3 1 3 9 4 4 2 26 6 14 3 4 5 8 8 9 4 6 4 3 2 3 5 5 2 2 2 4 5 1 1 2 1 1 1 2 1 1 2 2 2 2 4 3 4 2 9 5 15 14 7 5 27 5 5 7 4 28 20 2 9 28 42 31 100 12 23 8 3 5 27 5 4 8 7 4 5 3 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 5 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 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 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 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 3 3 8 5 9 6 22 13 46 11 11 5 4 4 86 78 4 2 1 1 2 3 1 1 2 3 2 2 4 12 15 19 33 25 11 5 8 2 2 2 1 2 0 1 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 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 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 87 87 s 1H \| 87 87 d 1H J 49 \| 85 84 s 1H \| 74 73 m 2H \| 73 73 s 1H \| 71 70 d 1H J 49 \| 70 70 d 1H J 73 \| 68 67 d 1H J 86 \| 28 28 dp 1H J 46 73 \| 22 22 s 3H \| 21 21 s 3H \| 10 9 m 2H \| 7 7 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCNC(=O)c1cccc2cc(Oc3ccnc4cc(O)ccc34)ccc12	ir: 1 1 1 2 1 2 4 1 1 1 2 1 4 2 2 2 2 1 2 1 1 1 3 4 3 14 8 3 2 1 1 1 1 2 4 3 10 32 12 14 3 2 1 1 3 2 2 2 14 23 15 0 1 2 1 1 5 20 10 2 2 3 2 2 2 3 7 15 37 9 5 13 16 25 12 11 3 2 1 2 18 7 100 32 3 0 1 2 2 1 1 2 2 5 8 4 4 2 2 1 2 9 3 3 1 4 8 8 8 3 1 2 1 1 1 3 2 1 1 3 5 6 7 2 2 3 5 7 2 1 1 1 5 6 6 2 2 5 36 5 2 1 4 5 7 36 18 16 7 3 4 13 11 28 6 9 2 7 15 32 7 1 1 1 2 20 2 2 1 0 1 1 0 0 1 1 1 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 0 0 0 0 0 1 1 1 0 0 0 0 1 1 2 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 0 0 0 0 0 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 4 13 6 4 18 38 53 11 3 1 1 2 4 15 36 2 1 0 1 1 0 1 1 1 1 2 2 6 17 14 8 3 2 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 d 1H J 49 \| 83 82 m 2H \| 80 79 m 2H \| 77 77 t 1H J 79 \| 75 74 t 1H J 23 \| 72 71 m 3H \| 70 69 t 2H J 25 \| 68 68 dd 1H J 21 92 \| 34 33 td 2H J 49 57 \| 16 15 p 2H J 61 \| 14 13 h 2H J 66 \| 10 9 t 3H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S1(=O)C(CCCCl)Oc2ccccc2N1c1ccccc1F	ir: 3 2 1 3 8 17 2 5 6 5 5 4 7 2 7 4 11 12 2 2 2 2 3 3 2 3 1 4 2 1 1 2 2 3 3 2 8 1 3 2 4 12 58 37 14 3 2 6 2 0 2 5 2 1 2 5 2 2 6 5 3 1 2 4 6 2 3 4 9 6 5 5 8 21 20 23 24 4 2 3 1 2 4 10 16 7 26 12 2 1 3 3 2 3 3 3 1 4 12 12 47 8 2 3 2 3 6 5 3 2 3 2 4 10 5 8 5 8 6 5 2 2 3 2 2 3 3 2 1 2 3 2 1 3 4 3 6 35 8 2 2 7 5 3 3 9 11 8 10 4 13 2 1 3 2 2 1 3 2 2 2 6 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 2 2 3 3 1 5 4 3 2 4 5 4 4 12 15 12 11 15 100 40 10 5 4 3 2 2 3 2 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 75 74 ddd 1H J 14 36 83 \| 74 73 m 2H \| 73 72 td 1H J 12 75 \| 72 71 tdd 1H J 14 42 84 \| 71 71 m 2H \| 70 69 dd 1H J 12 87 \| 50 50 t 1H J 70 \| 36 35 m 2H \| 25 24 dtd 1H J 70 83 152 \| 22 21 dtd 1H J 70 83 152 \| 21 20 dtt 1H J 32 84 116 \| 20 18 dtt 1H J 32 82 116	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1[C@H](NC(=O)c2ccc(N)nc2)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C(=O)c1cc(O)cc(O)c1	ir: 9 7 5 9 7 5 11 7 10 11 6 10 10 11 16 6 6 7 9 8 8 5 9 7 4 5 4 11 7 3 5 4 7 4 5 4 6 4 9 24 34 21 38 23 12 7 6 7 16 4 3 3 4 23 6 4 5 4 3 6 2 7 5 2 11 26 19 31 9 1 7 9 6 6 8 3 8 10 7 15 17 21 79 79 12 14 10 5 3 2 6 3 1 3 4 3 3 8 3 2 4 2 7 6 4 5 3 3 4 2 3 4 6 8 9 4 3 5 8 5 8 4 5 3 5 5 13 14 4 8 8 7 4 4 7 6 5 63 12 9 5 8 7 38 45 26 40 14 60 24 14 11 31 31 44 27 7 5 3 1 15 12 71 6 2 3 2 0 1 3 2 0 2 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 0 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 1 2 1 1 2 1 1 1 2 2 1 2 2 3 2 3 3 3 3 2 4 6 5 4 5 5 6 4 6 3 1 5 5 12 13 8 28 11 7 5 8 9 4 12 100 74 23 6 5 6 6 5 4 7 28 33 6 4 4 13 6 37 21 5 7 7 25 98 17 7 7 3 3 3 2 3 4 2 1 2 2 1 1 2 1 1 1 1 1 0 1 2 1 1 1 1 1 1 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 87 87 d 3H J 19 \| 80 79 d 1H J 84 \| 79 79 dd 1H J 19 80 \| 70 70 d 2H J 22 \| 64 63 m 2H \| 55 55 s 2H \| 38 37 m 1H \| 28 27 ddd 1H J 24 37 99 \| 25 24 dqd 1H J 52 70 101 \| 21 20 ddd 1H J 44 90 136 \| 18 17 m 2H \| 17 15 m 2H \| 15 14 ddd 1H J 46 74 132 \| 14 13 m 2H \| 12 11 m 1H \| 11 11 s 3H \| 10 10 d 3H J 70 \| 9 9 d 3H J 14 \| 9 8 d 3H J 14	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccccc1)C(F)(F)c1ccccc1C(F)(F)F	ir: 1 2 1 1 1 1 1 2 3 2 3 3 3 3 2 1 1 5 2 1 1 1 1 1 1 1 3 5 3 2 4 3 5 9 35 18 3 4 3 5 2 3 7 9 5 2 1 1 1 2 2 3 4 1 1 1 1 1 1 1 2 1 1 1 1 9 2 2 3 6 1 6 3 2 2 2 2 2 3 4 3 6 2 1 1 1 1 13 11 2 2 2 2 1 2 2 3 3 14 35 10 11 5 2 3 7 18 4 2 2 7 100 22 4 0 2 3 2 1 2 2 2 2 2 4 5 2 2 2 1 1 2 2 2 6 3 6 14 1 2 7 15 22 24 13 7 11 11 3 9 10 3 2 2 2 3 2 2 1 2 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 1 3 3 3 5 5 15 26 75 39 14 13 5 2 2 2 2 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; 1HNMR: 79 79 m 2H \| 77 77 m 1H \| 76 75 m 1H \| 76 75 m 3H \| 72 72 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)[C@@H](N)Cc1ccccc1C1CCCC1	ir: 4 1 1 1 1 1 1 2 2 2 1 7 4 2 0 1 1 1 1 1 1 1 1 1 2 1 0 0 1 0 0 0 0 0 0 1 1 0 1 1 1 18 17 7 2 1 1 0 1 1 0 0 1 1 1 1 0 1 1 4 3 8 15 29 6 3 2 2 6 9 9 1 2 2 8 11 32 5 4 1 1 1 3 10 22 4 1 1 1 1 5 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 5 7 4 3 2 2 3 2 2 2 2 2 3 3 5 2 1 3 2 2 1 5 10 3 18 10 13 41 26 3 3 3 5 2 1 1 1 1 2 3 6 5 3 3 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 2 2 2 1 1 2 2 3 6 12 2 6 19 4 6 2 0 1 1 1 1 1 2 2 1 4 20 15 7 7 5 3 7 5 60 100 8 3 0 0 0 0 0 0 0 0 0 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; 1HNMR: 73 73 ddd 1H J 21 73 79 \| 72 71 m 3H \| 56 55 d 2H J 63 \| 39 38 p 1H J 64 \| 32 31 ddd 1H J 8 66 161 \| 31 30 m 1H \| 29 28 ddd 1H J 8 65 161 \| 20 19 m 2H \| 18 17 ddddd 2H J 25 39 46 83 93 \| 17 16 m 4H \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=O)N1CC2CN(C(=O)OC(C)(C)C)CC2C1	ir: 4 3 2 8 14 13 2 4 8 7 13 9 4 3 2 3 5 3 5 5 4 3 1 3 3 3 1 3 3 1 3 4 5 3 3 3 2 0 3 4 3 2 2 4 2 1 2 7 4 1 2 3 2 0 1 3 1 0 2 3 1 2 3 4 1 0 2 3 1 1 2 3 4 1 2 3 1 0 2 2 1 0 2 2 0 0 2 2 0 1 3 3 0 2 3 4 2 3 4 2 3 8 9 14 4 7 10 4 4 3 4 2 1 4 10 12 4 6 6 3 3 6 8 5 2 6 4 5 5 11 11 5 6 26 20 11 5 4 3 1 1 2 2 2 1 4 9 23 12 6 100 24 8 3 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 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 3 2 1 3 4 3 3 4 5 3 2 3 4 4 8 7 11 23 13 4 3 2 1 2 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 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 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 37 37 m 4H \| 35 34 m 4H \| 26 25 dq 2H J 12 26 \| 21 20 q 2H J 80 \| 15 14 s 8H \| 11 11 t 3H J 80	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccnc1CN(Cc1ncccc1C)C1CCN(CCO)CC1	ir: 5 2 3 4 4 5 7 14 8 5 3 16 18 10 7 9 4 4 5 2 3 3 2 6 3 8 2 4 6 3 1 1 2 3 4 10 29 21 2 13 22 11 3 3 2 1 1 2 3 3 3 2 2 2 8 12 9 12 1 6 16 10 7 3 4 4 2 6 2 3 1 6 3 2 8 2 2 3 6 10 9 4 4 8 10 13 12 15 49 7 15 18 10 5 5 2 2 4 3 1 2 5 4 4 1 2 1 1 1 1 2 1 1 3 3 1 1 2 5 8 6 5 7 3 27 13 8 11 6 7 1 2 5 2 4 9 6 14 9 17 3 2 2 0 0 1 25 3 1 1 1 2 1 4 17 6 17 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 0 0 0 1 0 0 1 1 1 1 1 3 2 1 1 1 1 2 2 2 8 9 10 31 15 9 1 2 3 5 100 14 1 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 0 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 dd 2H J 20 40 \| 76 76 m 2H \| 72 71 dd 2H J 40 77 \| 41 40 t 1H J 63 \| 40 40 s 3H \| 37 36 dt 2H J 57 64 \| 31 30 p 1H J 50 \| 29 28 ddd 2H J 51 79 119 \| 27 26 m 4H \| 23 23 d 6H J 7 \| 20 19 ddt 2H J 51 79 117 \| 17 16 ddt 2H J 51 77 115	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cc1cccc(CCCCOS(=O)(=O)c2ccc(C)cc2)c1	ir: 12 3 11 8 6 4 3 3 8 14 6 15 25 7 3 3 1 2 1 1 2 3 1 3 18 3 2 1 1 3 9 18 8 6 2 2 2 1 1 2 5 9 4 17 18 22 9 7 5 2 2 5 25 9 7 3 3 2 1 1 1 6 3 4 12 44 10 5 13 38 5 3 3 2 2 1 3 2 2 3 4 13 3 5 28 10 3 18 35 3 3 3 5 7 37 4 3 5 5 8 4 6 11 4 2 1 1 1 1 2 2 2 4 3 4 7 3 3 5 6 1 4 3 4 2 14 4 4 3 3 2 2 1 1 1 2 2 1 1 3 15 10 2 9 22 7 6 6 2 2 3 1 8 2 2 6 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 4 1 2 2 2 2 5 14 11 0 21 100 19 14 2 1 3 3 1 1 2 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 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; 1HNMR: 77 76 m 2H \| 75 74 m 2H \| 72 71 t 1H J 79 \| 71 70 m 3H \| 41 41 t 2H J 64 \| 37 36 s 2H \| 36 36 t 2H J 9 \| 26 26 tt 2H J 9 79 \| 24 24 d 3H J 10 \| 18 17 ttd 2H J 11 63 73 \| 17 16 pd 2H J 13 77	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC(CC)COCCCCCCCCCCOCC(O)CNCCO	ir: 8 9 5 2 4 4 8 2 7 5 7 4 4 2 2 4 2 1 2 1 1 1 1 1 0 1 1 1 1 1 0 0 1 1 1 1 1 1 2 3 2 2 3 6 2 5 0 1 3 1 1 2 1 3 1 4 3 8 6 2 1 4 4 1 4 7 7 6 4 2 3 6 3 3 1 1 2 1 1 1 1 0 1 2 3 6 10 21 16 12 4 5 2 3 3 1 1 2 1 1 1 1 1 2 1 1 0 4 2 4 3 8 11 6 4 2 3 2 4 3 3 2 1 3 2 3 4 2 3 2 1 1 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 2 1 1 1 1 1 0 2 3 7 3 1 1 1 1 0 1 1 2 11 100 35 3 1 0 1 0 0 1 1 4 3 20 30 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 47 46 m 1H \| 38 37 dp 1H J 51 61 \| 37 37 dt 2H J 42 57 \| 37 36 dd 1H J 51 123 \| 36 36 d 1H J 59 \| 36 33 m 7H \| 32 32 dd 1H J 62 111 \| 31 30 ddd 1H J 52 62 132 \| 29 28 ddt 1H J 42 55 140 \| 29 28 m 1H \| 28 27 m 1H \| 16 16 m 1H \| 16 15 m 2H \| 15 15 m 2H \| 15 14 m 2H \| 14 11 m 18H \| 9 8 m 3H \| 8 7 td 3H J 15 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1cccc(Cc2ccc(Br)cc2)c1	ir: 1 1 1 2 2 2 2 2 5 5 4 2 2 1 1 0 0 1 1 1 3 1 2 1 1 1 1 1 0 1 2 2 1 1 2 0 1 8 10 1 1 1 1 1 1 2 11 3 13 1 9 7 6 8 22 25 9 2 3 6 3 3 2 0 1 1 2 4 3 15 2 2 2 3 1 1 2 3 3 2 5 9 5 9 42 57 100 46 26 7 6 4 35 6 2 2 2 6 8 3 1 1 1 0 0 1 1 1 0 0 0 0 0 0 0 0 2 1 1 2 3 4 9 6 3 5 8 2 2 3 2 1 0 1 0 0 1 0 1 2 9 3 1 1 5 4 3 12 2 1 1 6 11 2 2 15 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 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 1 1 2 1 0 0 2 1 5 7 13 40 66 31 7 9 3 2 4 4 6 4 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 m 2H \| 74 73 dp 2H J 10 82 \| 73 72 m 2H \| 72 72 s 1H \| 71 71 tq 1H J 9 16 \| 56 56 p 2H J 9 \| 46 46 dt 2H J 9 57 \| 24 24 t 1H J 56	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cc1ccccc1)C1CCCCC1	ir: 2 2 1 1 1 2 4 7 10 3 6 10 5 2 5 5 4 1 6 13 1 2 3 1 3 4 6 19 13 15 10 15 16 11 14 31 10 3 6 13 15 22 8 5 3 3 5 6 4 4 9 5 7 5 5 3 2 1 2 6 2 2 2 2 2 0 2 4 11 15 4 10 5 1 3 3 2 10 14 3 1 1 1 2 2 1 3 4 10 7 6 4 3 2 3 4 2 2 8 4 2 1 2 2 1 2 5 8 3 3 10 21 8 16 26 5 5 5 4 6 22 17 12 4 2 5 7 4 4 4 4 7 6 5 8 7 7 3 2 1 13 45 67 53 42 11 7 3 1 2 2 6 11 3 3 1 1 1 2 4 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 1 1 1 2 2 1 1 2 3 4 5 7 10 9 4 4 4 8 4 14 24 25 31 100 63 24 8 3 2 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 73 72 m 5H \| 35 35 d 1H J 8 \| 25 25 m 1H \| 19 18 m 2H \| 16 15 m 4H \| 15 14 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CC[C@@H](Cn2cc(C=O)c3nc(Cl)nc(-c4cncc(Cl)c4)c32)CC1	ir: 0 2 3 3 2 2 7 2 6 4 4 3 9 4 2 1 1 2 8 0 4 10 1 0 0 2 3 1 0 2 3 16 4 5 38 1 4 100 41 7 2 3 2 2 1 0 0 1 0 0 1 0 1 4 2 4 4 1 1 0 1 1 5 2 5 9 14 4 3 7 1 1 2 5 4 2 5 7 1 1 1 1 0 0 1 1 0 1 1 3 0 1 2 2 1 0 1 1 4 2 4 3 2 3 34 12 44 6 3 7 7 3 92 2 2 5 7 6 16 3 4 1 11 3 4 57 7 11 3 18 4 1 1 1 1 1 1 1 1 2 3 12 0 1 1 0 0 3 3 5 4 5 30 15 13 4 16 2 42 10 40 4 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 3 1 1 2 2 2 2 2 1 1 2 2 2 6 11 2 4 11 9 3 17 7 4 3 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 91 90 t 1H J 17 \| 85 84 t 1H J 17 \| 80 80 t 1H J 16 \| 79 78 d 1H J 9 \| 42 41 ddd 1H J 9 57 119 \| 41 40 ddd 1H J 8 57 119 \| 17 16 m 3H \| 15 13 m 5H \| 12 11 m 2H \| 9 9 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1ccc2cc(OCCF)ccc2c1	ir: 1 2 3 2 1 2 4 2 3 4 15 75 6 2 4 3 5 5 7 13 4 4 3 2 4 4 5 2 1 3 3 1 1 2 2 1 1 2 2 0 3 10 2 1 2 3 2 1 2 3 4 9 50 29 19 3 4 4 3 5 41 30 6 5 11 10 18 24 52 31 27 15 6 4 2 2 2 5 6 7 2 2 1 1 2 2 7 5 4 30 2 2 3 13 12 4 3 2 1 3 3 3 7 30 30 20 2 2 2 2 1 5 4 3 3 3 2 1 1 2 3 6 5 11 22 9 4 3 2 2 1 1 2 1 1 1 2 1 1 2 3 4 55 19 16 2 2 8 5 20 8 2 2 5 6 30 20 17 29 11 2 1 1 2 2 0 2 3 3 10 2 1 1 1 2 2 1 1 1 2 1 1 1 2 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 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 2 1 1 1 1 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 3 14 2 2 3 2 2 2 3 2 2 4 4 3 5 6 18 14 100 51 74 10 6 5 2 3 2 2 1 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 100 100 s 1H \| 83 82 m 1H \| 80 79 dd 1H J 22 82 \| 79 79 dd 1H J 22 81 \| 79 78 dd 1H J 21 82 \| 70 70 t 1H J 22 \| 70 70 dd 1H J 23 82 \| 48 48 t 1H J 35 \| 47 47 t 1H J 35 \| 44 44 t 1H J 35 \| 44 43 t 1H J 35	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=C(C)C(C)O)c1ccc(C(C)(C)C)cc1	ir: 2 2 1 1 1 1 1 2 1 1 1 1 2 2 2 1 1 1 1 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 5 2 2 1 1 1 2 3 1 1 1 1 1 2 2 2 1 2 1 1 1 1 1 2 2 3 2 2 2 2 3 2 2 5 10 3 2 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 3 1 2 2 2 1 2 2 1 1 2 1 2 2 2 2 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 3 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 2 3 1 3 5 3 5 27 3 1 2 2 2 3 6 100 5 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 2 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 m 2H \| 73 72 m 2H \| 44 44 dddt 1H J 13 25 52 64 \| 33 33 d 1H J 53 \| 23 22 p 3H J 10 \| 18 17 dq 3H J 11 20 \| 13 13 s 8H \| 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.
CCCCCCc1csc2c(Br)csc12	ir: 3 2 2 2 2 2 3 3 3 3 3 3 6 5 6 4 2 3 3 3 3 3 3 2 3 3 3 3 2 3 3 2 3 3 3 3 4 4 5 4 3 4 4 5 7 4 3 3 3 4 20 4 5 3 7 33 18 100 22 0 3 5 3 2 3 3 12 2 4 4 2 2 3 4 3 2 3 3 2 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 2 3 3 4 14 7 7 20 11 9 5 6 6 4 8 9 9 7 10 5 11 11 6 7 9 3 4 4 4 4 6 4 4 5 4 3 3 3 3 2 3 3 4 3 4 6 24 3 6 8 2 3 4 8 3 2 3 3 2 3 3 3 2 3 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 4 3 4 5 7 4 4 4 4 3 4 6 5 5 44 13 9 6 6 17 72 19 6 6 6 3 3 3 3 3 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 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 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 73 72 s 1H \| 71 71 t 1H J 9 \| 27 27 td 2H J 9 75 \| 16 16 p 2H J 72 \| 14 13 m 7H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1nnc(-c2cc(C(=O)O)c(C)cc2F)[nH]1	ir: 2 2 2 1 5 3 5 3 2 12 6 6 11 8 3 1 1 11 7 13 6 70 100 30 5 14 17 7 8 8 3 2 2 3 3 2 3 3 6 11 17 46 20 2 5 9 13 10 2 3 1 1 3 5 2 1 1 2 2 0 1 2 2 2 13 5 4 5 3 5 22 14 7 5 2 3 12 13 7 45 8 2 1 2 2 2 1 9 4 5 1 2 9 6 0 3 2 3 19 2 1 1 1 1 1 1 1 2 1 2 1 18 5 9 4 4 6 8 13 8 4 2 2 1 2 1 0 4 3 1 1 3 2 1 1 2 2 1 1 9 7 5 13 7 18 1 55 5 5 8 16 9 62 55 11 4 1 2 1 0 1 1 1 2 5 9 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 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 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 1 1 2 1 1 2 1 1 1 3 1 2 2 3 3 3 9 4 4 60 4 1 1 2 2 2 2 2 10 92 3 2 1 3 1 1 2 1 1 1 2 3 4 11 18 30 19 10 7 6 2 1 2 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 95 95 s 1H \| 85 85 d 1H J 50 \| 72 72 m 1H \| 28 28 q 2H J 66 \| 25 25 s 3H \| 15 14 t 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CO[C@@H](C(=O)OC1CCc2cccc(NC(=O)OCc3ccccc3)c2C1)c1ccccc1	ir: 12 27 13 14 12 7 2 1 12 5 3 5 7 3 3 6 6 1 1 3 5 4 3 4 3 8 9 16 17 20 14 22 34 34 68 17 14 15 9 10 51 10 3 7 23 8 15 10 3 1 9 3 2 3 4 1 2 2 3 2 2 13 17 3 3 5 2 3 25 17 19 4 0 2 8 4 7 5 10 4 3 11 3 2 2 2 1 2 12 23 10 9 9 2 5 16 4 12 11 3 7 2 2 1 2 3 8 4 9 9 17 3 4 4 3 5 5 4 2 2 2 6 3 4 6 7 6 5 3 1 2 2 2 2 6 42 3 14 3 5 8 3 42 77 45 32 7 5 19 53 12 16 23 8 2 2 2 4 9 20 4 4 2 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 1 0 1 0 1 1 1 0 1 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 1 0 1 0 1 1 1 0 1 1 0 1 2 1 1 1 2 3 2 3 3 4 3 4 4 5 22 23 13 100 42 10 6 4 4 3 2 2 1 2 1 1 1 2 2 0 1 2 1 1 6 9 9 46 96 10 5 2 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 74 73 m 13H \| 72 71 t 1H J 80 \| 69 68 dq 1H J 10 76 \| 52 51 m 1H \| 52 51 s 2H \| 48 48 qd 1H J 7 14 \| 34 34 d 3H J 15 \| 34 33 dd 1H J 60 174 \| 31 30 dd 1H J 59 174 \| 30 29 dddd 1H J 8 60 86 146 \| 29 28 dddd 1H J 8 60 88 145 \| 23 22 dddd 1H J 52 60 86 139 \| 21 20 dddd 1H J 52 60 86 140	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC(c1ccccc1)(c1ccccn1)C(c1ccccc1)N1CCOCC1	ir: 4 3 0 3 5 3 2 2 4 3 2 9 7 13 10 7 5 2 2 2 2 1 1 3 6 4 1 5 6 9 20 14 6 43 36 9 5 33 5 40 66 18 20 7 2 2 2 3 3 7 5 12 3 2 7 10 5 5 5 5 2 1 2 6 5 3 4 8 7 11 4 4 4 12 3 3 3 2 4 10 8 4 6 4 8 7 15 8 4 2 5 15 9 8 4 4 2 4 7 6 10 3 2 2 1 1 2 1 1 1 2 2 2 5 8 11 6 3 3 1 1 2 3 3 3 5 3 1 2 2 2 2 2 3 8 31 13 11 4 1 1 3 8 11 14 16 10 2 7 3 2 1 5 12 11 2 3 4 2 1 2 2 1 0 1 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 2 3 4 2 2 2 3 1 2 4 9 6 12 100 61 16 4 4 5 49 41 13 3 1 2 3 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 84 84 dd 1H J 16 33 \| 76 75 m 1H \| 75 75 dd 1H J 14 75 \| 75 74 m 2H \| 74 72 m 10H \| 43 43 d 1H J 11 \| 42 42 s 1H \| 37 36 m 4H \| 31 30 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccccc1O)C(=O)N1CCC(Cc2ccccc2)CC1	ir: 4 1 3 2 3 3 1 3 5 5 2 4 5 8 3 2 5 7 10 6 5 3 4 3 6 4 4 4 4 3 10 10 14 16 8 5 5 12 7 8 37 36 43 23 34 36 79 36 35 7 5 1 1 1 1 2 2 2 2 2 1 0 0 3 1 1 3 3 3 3 2 2 4 3 18 6 2 4 17 37 100 12 5 6 5 4 25 3 6 20 2 3 2 3 2 1 1 7 14 2 1 2 2 1 3 8 2 5 2 1 1 2 1 7 4 7 5 14 11 3 27 12 3 3 2 1 3 1 4 4 7 9 15 9 10 32 8 40 5 3 4 28 13 64 3 4 4 11 59 7 6 24 10 3 2 3 4 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 4 4 2 2 1 1 1 2 2 4 20 9 19 96 28 17 9 1 1 8 9 57 56 4 2 1 0 1 1 0 0 1 1 1 2 3 15 55 25 6 10 2 1 2 1 0 1 1 0 0 1 0 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 94 s 1H \| 78 78 s 1H \| 77 76 dd 1H J 16 79 \| 73 72 m 3H \| 72 71 m 2H \| 71 70 m 2H \| 69 69 dd 1H J 16 83 \| 38 37 m 2H \| 33 32 m 2H \| 26 26 dt 2H J 9 70 \| 20 19 m 3H \| 17 16 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CC(=O)N(CCCCN)C1=O	ir: 2 2 2 2 2 2 1 2 2 2 2 2 2 1 2 2 2 1 1 2 2 2 1 2 2 1 2 2 2 2 2 5 3 1 1 2 2 2 2 3 7 5 8 28 7 6 4 1 2 3 7 2 11 5 2 2 2 6 5 1 2 2 2 3 4 4 4 3 6 2 2 5 18 4 3 6 2 2 2 2 3 3 3 3 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 7 3 2 2 2 2 4 4 2 2 2 3 6 3 5 16 4 2 3 2 6 2 2 6 3 7 11 5 7 6 7 3 2 2 2 2 1 2 2 2 1 4 8 2 2 2 2 2 32 2 2 2 1 2 2 1 1 2 2 2 2 2 2 2 1 1 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 2 2 2 2 2 2 2 2 2 2 2 3 4 3 2 2 2 2 2 2 2 4 5 4 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 11 21 5 3 2 2 2 0 100 7 2 2 2 2 2 1 3 2 2 2 1 2 2 1 1 2 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 2 2 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 41 41 s 2H \| 37 36 t 2H J 67 \| 30 29 s 2H \| 29 28 tt 2H J 52 65 \| 18 17 ttd 2H J 9 66 75 \| 16 15 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)ON1C(=O)CCC1=O	ir: 2 4 4 2 1 1 2 1 2 2 2 2 1 1 2 0 1 2 1 0 0 1 3 8 4 6 6 17 13 16 34 8 6 1 1 1 1 6 2 7 3 1 1 0 0 1 1 1 6 9 8 2 2 3 11 20 1 1 0 1 1 3 3 1 0 1 0 2 3 6 2 1 1 1 1 0 1 2 3 1 1 2 1 0 1 1 1 0 2 1 1 3 5 1 1 2 1 1 4 6 1 1 0 1 3 4 1 1 3 5 5 6 2 2 1 5 3 5 5 3 17 14 11 14 8 3 4 2 2 17 8 6 2 2 1 1 0 1 1 1 2 3 11 22 12 20 12 33 7 44 8 5 11 100 8 4 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 1 2 6 2 5 2 2 4 2 2 8 21 3 16 14 4 2 4 0 1 0 1 0 0 0 1 1 1 0 0 0 0 0 1 1 1 2 6 16 58 13 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 m 2H \| 71 71 dt 2H J 9 75 \| 55 55 d 1H J 86 \| 47 46 dt 1H J 71 86 \| 32 31 ddt 1H J 9 72 142 \| 29 29 ddt 1H J 8 72 141 \| 28 28 s 4H \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C1c2cc(Br)ccc2O[C@]2(C)CCC3(C[C@H]12)OCCO3	ir: 3 2 5 8 3 6 4 3 3 1 2 4 1 2 4 3 1 2 10 14 11 2 1 1 2 6 2 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 5 1 1 1 1 3 0 3 27 46 25 4 10 2 10 3 0 2 5 26 7 11 17 15 8 7 8 6 1 6 10 17 17 3 4 2 1 2 2 2 2 3 5 8 6 7 21 4 4 6 14 3 1 2 9 5 5 5 5 4 2 3 6 21 18 7 10 1 5 16 16 14 13 10 5 4 4 3 7 6 11 7 17 5 12 12 9 6 6 10 8 2 2 3 1 2 1 3 1 11 17 7 1 1 2 3 12 7 5 11 6 2 2 1 1 5 9 2 1 3 5 2 1 2 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 6 3 3 6 7 8 5 10 6 7 25 29 9 12 20 23 34 100 30 18 16 14 8 9 3 2 2 4 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 75 74 m 2H \| 70 69 d 1H J 84 \| 51 51 t 1H J 19 \| 51 50 t 1H J 20 \| 40 39 m 2H \| 39 38 m 2H \| 26 25 ddt 1H J 19 53 74 \| 22 22 ddd 1H J 69 89 139 \| 21 21 dd 1H J 54 144 \| 21 19 m 4H \| 12 12 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(C(=O)OC(C)(C)C)c2ccc3cnc(Cl)cc3c2n1C(=O)OC(C)(C)C	ir: 14 11 10 17 40 11 21 7 5 25 64 27 15 9 7 5 5 8 7 4 6 6 14 15 3 8 11 22 36 8 6 18 8 16 40 2 4 17 11 3 6 6 5 3 6 8 4 2 6 6 8 4 11 35 7 4 5 6 8 2 31 23 16 14 9 9 6 2 8 11 9 8 28 13 18 7 11 9 7 3 8 6 4 19 10 9 5 8 15 6 2 4 11 8 3 4 6 8 4 7 20 15 8 10 32 6 7 16 13 6 9 48 23 18 10 10 18 28 12 29 80 23 5 14 24 12 6 16 23 35 30 41 15 43 100 72 19 14 37 15 7 8 14 63 27 42 31 6 6 7 24 13 33 28 10 71 13 8 7 9 15 2 4 7 5 0 4 12 29 6 4 5 4 2 4 5 4 2 4 6 4 3 4 5 4 2 4 5 3 3 4 5 3 3 5 5 3 3 4 5 3 3 5 4 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 3 4 5 3 3 4 5 3 3 5 5 3 3 6 5 3 3 5 5 3 3 6 5 4 5 9 12 7 7 7 7 3 4 8 8 5 8 14 8 29 70 78 22 29 64 9 15 14 8 8 6 5 5 6 5 5 5 5 4 4 6 5 5 3 4 5 4 3 5 5 3 3 5 4 3 3 5 4 3 3 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 3 3 4 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 4 5 4 3 4 5 4 3 4 5 4 3 4 5; 1HNMR: 90 89 d 1H J 18 \| 85 84 d 1H J 88 \| 82 81 dd 1H J 19 89 \| 80 80 s 1H \| 28 28 s 3H \| 16 16 s 9H \| 16 16 s 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1[nH]c2ncc(F)cc2c1CN(C)C	ir: 8 5 6 5 12 45 0 10 13 4 2 32 7 3 0 4 6 2 0 7 13 4 2 10 9 1 3 10 27 32 16 8 13 9 2 8 9 18 58 22 17 10 6 7 5 4 10 9 6 3 5 6 4 1 6 17 11 2 3 6 4 2 6 7 41 11 22 26 26 11 11 10 3 1 5 7 5 10 31 14 4 5 7 8 6 5 11 39 10 5 9 18 100 19 13 21 7 4 7 9 7 6 13 8 9 48 31 12 4 4 6 4 1 3 7 4 3 7 22 16 18 10 7 16 3 6 7 3 1 9 8 4 2 10 50 4 2 5 5 3 1 5 5 2 2 9 8 30 13 7 7 8 32 42 17 73 5 7 5 1 3 7 4 0 4 6 3 0 3 6 3 0 3 6 3 1 4 6 3 0 3 5 2 1 3 5 2 1 4 5 2 1 4 5 2 1 4 4 2 1 4 4 1 2 4 4 1 2 5 4 1 2 5 4 1 2 5 3 1 2 5 3 0 3 5 3 0 3 6 3 0 3 5 3 1 3 5 3 1 4 5 2 1 4 5 2 1 4 4 2 1 4 4 2 2 4 4 2 2 4 4 1 2 4 4 1 2 5 4 2 3 5 4 2 3 5 4 2 4 5 5 1 4 8 13 1 14 16 41 12 5 6 4 1 4 5 3 2 4 5 3 2 4 5 5 3 4 5 2 3 10 12 29 62 17 17 8 12 9 7 3 5 6 4 2 2 5 3 1 2 5 3 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 3 1 2 4 3 1 3 4 3 1 3 5 3 1 3 5 3 1; 1HNMR: 94 94 s 1H \| 82 82 dd 1H J 17 140 \| 74 73 dd 1H J 16 121 \| 39 38 s 2H \| 24 23 s 6H \| 23 23 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cn2c(C)nc3c(C)nn(C)c3c2n1	ir: 1 3 0 4 1 0 0 0 1 1 0 3 1 3 2 6 5 8 1 0 0 0 0 1 3 1 5 0 0 0 0 0 0 1 1 0 0 5 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 3 12 3 2 2 8 7 4 4 3 2 2 3 1 2 6 13 14 7 3 3 3 3 2 1 1 1 1 1 1 1 1 2 23 6 1 0 0 0 0 0 2 1 0 1 1 5 2 1 1 1 2 1 1 7 2 2 1 3 3 5 3 2 8 16 9 17 7 5 14 12 3 10 2 3 8 1 2 2 2 5 4 1 1 1 0 1 1 0 1 0 13 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 4 12 7 2 2 3 3 3 3 6 4 8 3 6 100 63 29 8 2 3 2 3 2 1 1 1 1 1 1 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 0 0; 1HNMR: 69 68 s 1H \| 40 40 s 3H \| 26 26 s 3H \| 26 26 s 3H \| 24 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(OCC2CC(Oc3ccc(F)cc3F)CN2)cc1	ir: 4 3 7 13 20 7 1 2 2 1 3 3 5 16 24 6 6 4 2 3 2 1 0 1 2 1 2 4 1 3 1 2 5 10 2 1 1 1 1 2 3 2 2 1 1 2 1 3 3 2 3 4 4 52 25 15 15 26 12 5 5 5 5 15 41 100 28 20 7 20 20 8 6 19 7 7 5 1 6 3 1 0 2 2 1 2 4 7 13 4 5 2 1 1 2 4 1 1 2 3 4 10 46 17 27 19 18 12 4 3 2 3 3 4 4 14 43 10 7 5 3 11 7 7 7 11 8 2 3 2 7 3 2 2 2 1 1 2 2 1 1 3 10 20 14 3 2 5 14 28 11 7 18 7 3 0 2 2 1 0 3 3 3 5 1 1 1 0 1 1 1 1 2 2 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 1 1 1 1 1 1 1 2 2 2 3 2 3 1 2 3 2 2 3 2 22 7 32 74 43 11 3 3 3 2 2 2 1 0 1 2 1 0 1 2 2 1 10 92 5 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 78 78 m 2H \| 70 68 m 5H \| 47 46 m 1H \| 40 40 dd 1H J 31 119 \| 39 38 m 1H \| 39 39 s 3H \| 36 35 dtt 1H J 31 49 61 \| 33 32 ddd 1H J 22 35 128 \| 30 30 ddd 1H J 22 35 128 \| 29 28 dt 1H J 35 60 \| 23 22 dt 1H J 49 142 \| 20 19 dt 1H J 50 139	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNCCCc1ccc(Cl)cc1	ir: 1 3 20 16 22 4 1 2 3 1 2 11 5 14 3 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 4 2 4 11 7 30 39 16 12 7 46 73 100 21 7 15 14 15 12 32 9 48 39 31 37 25 10 4 5 3 3 0 2 8 8 2 11 10 4 3 3 7 16 7 6 2 6 2 1 1 1 2 2 4 2 3 1 1 1 2 2 13 47 6 5 2 1 2 2 1 1 1 1 2 2 2 2 6 18 17 13 71 22 58 38 23 15 22 9 14 2 9 8 7 9 4 5 6 17 16 16 24 18 24 10 2 1 2 1 1 2 2 3 24 31 23 7 5 3 8 2 8 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 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 3 2 4 5 5 3 3 3 1 1 2 5 9 15 25 32 36 21 30 8 9 6 4 2 2 3 3 2 3 3 4 3 3 14 20 78 64 72 20 11 2 3 3 3 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 72 m 2H \| 71 71 dt 2H J 9 83 \| 27 26 m 4H \| 25 24 d 3H J 49 \| 18 17 tt 2H J 55 74 \| 17 16 h 1H J 48	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1ncc(Br)c1-c1cc(N)ccc1OCCNC(=O)OC(C)(C)C	ir: 0 7 12 11 22 14 13 23 25 20 8 21 11 14 9 17 9 5 4 5 5 5 6 4 4 5 4 3 4 7 15 12 5 5 4 4 5 6 10 3 7 5 4 3 4 6 16 9 6 5 4 6 11 66 26 19 11 7 5 4 8 12 22 14 6 5 11 9 36 22 10 21 14 8 7 8 5 4 5 5 10 5 5 3 3 3 3 4 5 9 34 7 5 7 7 5 7 5 5 15 11 5 3 5 3 5 5 36 11 8 8 26 22 32 16 11 14 19 18 36 42 15 14 14 19 14 12 11 24 30 37 16 17 7 11 10 11 9 5 11 15 13 31 23 9 18 13 9 6 6 3 6 9 8 11 17 10 4 4 14 23 5 4 4 3 2 22 4 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 4 4 4 4 4 4 4 4 4 5 4 7 11 12 18 7 5 12 8 24 23 5 11 15 16 35 35 63 39 20 100 38 8 6 6 4 4 4 5 4 5 5 4 5 3 4 3 3 20 18 6 6 9 16 34 27 14 6 5 4 39 12 3 4 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 74 74 s 1H \| 69 68 d 1H J 86 \| 67 66 m 2H \| 54 53 t 1H J 49 \| 49 49 s 2H \| 43 42 t 2H J 44 \| 39 39 s 3H \| 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.
CC(=O)NCCC1CCOc2ccccc21	ir: 4 2 2 2 2 3 6 4 6 5 4 4 3 6 3 3 4 4 3 4 12 8 7 7 8 13 22 18 26 20 19 37 28 14 14 9 3 6 4 2 3 9 49 60 6 0 6 5 3 2 4 4 3 1 2 3 2 2 3 3 2 4 5 4 4 9 4 6 8 16 21 13 4 5 5 8 5 2 3 2 2 2 2 5 4 2 3 2 6 17 5 4 1 3 3 3 2 2 5 4 3 4 4 4 3 5 13 11 3 5 5 4 4 6 4 8 7 8 6 3 9 14 16 7 8 6 7 5 4 5 5 3 3 7 5 6 7 19 12 6 8 9 50 20 33 49 91 100 12 32 7 2 3 3 3 2 2 3 3 6 3 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 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 4 6 6 2 4 7 5 3 6 3 13 10 15 73 25 5 4 4 4 2 3 3 2 2 3 2 2 2 2 3 4 4 10 16 22 15 28 50 23 31 14 13 8 5 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 72 72 m 1H \| 72 71 td 1H J 13 76 \| 71 70 ddd 1H J 15 74 82 \| 69 68 dd 1H J 13 83 \| 65 64 t 1H J 53 \| 42 42 ddd 1H J 37 63 112 \| 41 40 ddd 1H J 37 63 112 \| 35 34 dq 1H J 54 135 \| 31 30 m 2H \| 22 21 dtd 1H J 37 62 137 \| 21 20 ddt 1H J 55 66 139 \| 20 20 s 2H \| 20 19 dtd 1H J 37 62 137 \| 18 17 ddt 1H J 55 64 139	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(-c2nccn3nc(Nc4ccc5c(c4)NC(=O)C(C)(C)O5)nc23)cn1	ir: 3 13 6 13 14 3 1 2 2 3 16 4 6 3 1 2 4 3 2 2 14 3 3 2 1 1 1 2 1 2 1 1 1 1 1 0 1 4 1 1 0 1 1 1 1 1 2 3 7 45 8 5 2 2 6 15 2 1 1 5 2 1 3 3 2 2 2 7 19 9 2 2 1 1 1 1 1 1 1 0 1 1 1 2 1 5 3 4 2 3 14 8 16 29 24 3 10 8 2 1 1 5 2 1 1 8 2 3 3 3 1 1 1 1 1 3 8 2 7 12 6 4 1 2 3 3 7 20 21 5 3 6 7 2 13 2 2 1 1 1 1 3 5 20 10 0 15 3 9 1 34 7 3 1 4 39 8 1 1 0 0 1 1 0 22 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 2 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 1 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 2 2 1 1 1 0 1 1 3 1 1 3 9 5 34 9 25 100 33 12 12 6 4 1 2 2 2 1 1 1 1 1 1 2 1 2 1 4 8 4 13 36 13 10 6 6 1 1 1 1 1 1 1 0 1 1 1 1 0 0 0 1 0 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 90 90 s 1H \| 87 87 d 1H J 66 \| 86 86 d 1H J 68 \| 80 80 s 1H \| 76 75 s 1H \| 74 74 d 1H J 22 \| 73 73 dd 1H J 20 81 \| 70 70 d 1H J 81 \| 40 40 s 3H \| 15 15 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOc1ccc(-c2ccccc2O)cc1	ir: 7 12 6 4 1 2 2 3 3 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 2 1 2 3 1 1 2 4 50 18 3 1 1 1 1 1 1 2 1 3 5 11 7 2 2 2 1 2 1 1 2 2 1 0 2 2 2 14 2 3 4 4 26 27 8 6 1 1 1 2 6 20 18 7 3 3 1 1 2 1 1 2 3 3 1 1 2 5 1 1 1 1 1 2 2 3 4 2 1 1 1 2 1 1 3 2 2 1 2 2 2 2 1 1 1 1 1 1 1 1 1 3 5 12 3 3 17 20 4 0 0 2 4 36 3 5 2 2 3 1 2 2 1 1 14 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 0 0 1 1 1 0 1 0 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 0 1 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 2 1 1 2 1 1 2 4 5 5 47 37 22 14 6 3 2 1 9 100 9 2 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 75 75 dd 1H J 15 77 \| 73 73 m 2H \| 73 71 m 2H \| 70 69 m 2H \| 68 68 dd 1H J 16 80 \| 65 65 s 1H \| 40 40 t 2H J 64 \| 18 17 p 2H J 66 \| 15 14 h 2H J 69 \| 10 9 t 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(O)c(Br)c1	ir: 14 10 2 6 11 5 7 6 2 4 2 1 1 2 7 3 3 1 1 1 1 1 1 1 1 1 1 2 2 2 3 5 9 4 5 6 6 4 2 2 3 9 7 7 2 1 1 2 1 1 1 1 2 19 24 16 5 0 2 3 3 3 2 11 7 7 12 11 4 1 2 2 2 2 6 6 7 21 26 2 1 7 6 7 3 30 46 100 11 3 2 0 3 2 0 1 2 1 1 3 15 18 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 2 1 1 1 1 2 3 3 1 1 1 1 1 1 1 1 1 1 1 2 4 6 10 2 1 1 1 0 13 3 0 3 7 11 1 2 3 0 1 1 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5 6 6 7 8 18 28 2 1 2 1 0 6 31 49 5 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 71 71 d 1H J 19 \| 68 67 m 2H \| 54 54 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.
CNC(=O)c1cncc(Cl)c1	ir: 2 6 6 3 3 6 7 3 1 5 5 4 2 4 6 3 2 5 5 4 7 12 7 6 4 5 5 3 4 4 6 3 2 6 4 5 8 50 36 47 6 6 5 2 3 5 3 1 3 5 3 1 5 10 5 1 3 7 4 1 4 6 3 1 4 6 4 3 4 5 2 2 4 4 3 2 4 6 3 3 4 4 5 3 5 4 2 2 4 4 2 2 4 3 2 3 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 10 18 10 3 6 4 0 14 16 5 4 4 6 6 4 4 4 3 2 3 4 3 2 3 4 3 3 3 4 5 10 100 54 52 21 30 6 2 3 9 7 1 3 6 15 17 8 7 10 4 5 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 2 1 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 4 2 2 4 3 1 3 4 3 2 3 4 4 3 4 5 4 5 7 6 4 2 3 4 3 2 3 4 3 4 6 6 3 3 4 5 3 4 8 12 13 11 27 23 9 4 5 4 3 2 4 3 2 2 4 3 2 3 4 3 2 3 5 4 2 3 4 3 2 3 4 3 1 3 4 3 1 3 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4; 1HNMR: 90 90 t 1H J 17 \| 85 85 t 1H J 17 \| 81 81 t 1H J 17 \| 69 68 q 1H J 51 \| 30 29 d 3H J 51	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2nc3ccc(C(=O)NCCCCc4cccnc4)cn3c(=O)c2cc1C	ir: 5 9 12 8 1 3 2 4 4 2 3 2 3 2 1 6 14 3 3 14 10 3 5 3 7 3 5 5 3 5 3 3 9 33 20 4 4 7 4 3 6 5 24 21 45 100 12 25 4 0 3 4 2 3 5 14 5 3 3 5 15 4 7 7 8 9 4 4 12 14 23 27 8 1 2 3 2 3 6 3 11 9 4 2 2 2 3 2 2 2 2 3 3 3 5 29 7 4 4 2 2 2 3 2 1 1 4 3 2 4 13 5 20 7 7 10 1 5 7 8 20 13 18 9 9 8 4 15 19 4 6 4 4 6 7 6 1 3 7 30 4 5 10 48 45 22 45 82 7 3 5 6 11 18 36 5 20 5 12 25 9 2 2 1 3 2 19 8 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 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 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 2 2 2 3 2 3 4 3 3 2 3 2 2 3 3 15 12 8 16 57 38 93 30 5 9 5 3 2 1 1 2 1 2 2 3 3 4 6 4 2 2 2 9 25 26 21 16 5 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 d 1H J 16 \| 85 84 m 2H \| 80 79 s 1H \| 78 77 dd 1H J 15 88 \| 77 76 d 1H J 88 \| 75 75 dtt 1H J 9 19 77 \| 74 74 m 1H \| 73 73 t 1H J 46 \| 72 72 dd 1H J 43 77 \| 32 32 td 2H J 46 54 \| 28 27 tt 2H J 9 85 \| 25 24 s 3H \| 23 23 s 3H \| 18 17 ttd 2H J 9 75 85 \| 17 16 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccnc(Nc2cccc(-c3cnc(C4OCCO4)s3)n2)c1	ir: 4 3 0 2 11 6 5 2 1 2 3 3 4 4 4 4 4 7 4 7 5 2 5 5 3 9 4 3 3 3 3 7 8 5 12 10 5 3 4 2 2 2 2 3 2 7 17 100 18 5 3 3 4 2 1 3 3 3 4 4 3 1 5 7 8 8 9 4 4 1 3 3 4 7 7 9 4 2 2 6 9 9 16 8 3 4 6 4 2 7 6 29 4 1 2 4 3 1 2 1 2 2 1 1 1 2 6 3 5 7 2 3 2 1 1 1 0 0 1 1 0 1 2 1 1 2 2 3 2 6 2 1 1 1 2 3 1 14 7 18 9 4 13 16 2 4 21 27 11 13 6 3 4 7 2 3 16 19 13 2 8 20 41 14 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 1 1 2 1 3 2 4 2 5 8 39 41 11 4 2 2 1 1 1 2 1 1 1 1 0 0 1 0 1 1 1 1 3 7 17 9 82 24 25 6 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 91 s 1H \| 82 82 s 1H \| 82 82 d 1H J 50 \| 78 77 m 2H \| 76 76 d 1H J 23 \| 73 73 dd 1H J 26 62 \| 68 68 m 1H \| 60 60 s 1H \| 41 40 m 2H \| 39 39 m 2H \| 24 23 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Brc1ccc(NC2CC2)nc1	ir: 1 1 1 1 5 2 4 6 2 2 1 3 3 1 5 2 3 4 4 2 9 7 5 4 1 1 1 4 1 0 1 1 1 6 3 18 15 3 3 3 2 4 2 0 0 0 0 1 1 0 0 1 1 4 35 3 0 0 0 1 0 0 0 0 0 0 0 0 9 4 4 0 0 0 0 0 0 0 0 1 1 1 2 3 2 1 1 1 1 6 1 1 1 1 3 13 10 3 1 1 1 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 3 0 1 0 0 1 2 12 5 1 2 2 1 1 1 1 1 0 2 2 14 100 17 3 3 1 3 3 6 11 4 33 24 2 3 2 0 0 2 8 12 4 23 18 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 0 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 4 2 1 3 4 11 11 4 4 3 1 2 1 1 1 1 0 1 1 1 1 0 1 1 1 1 1 2 10 15 31 64 25 12 3 1 2 2 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 81 d 1H J 18 \| 78 78 dd 1H J 20 79 \| 69 68 d 1H J 79 \| 62 62 d 1H J 68 \| 31 31 dp 1H J 49 68 \| 7 6 m 2H \| 5 5 dddd 2H J 9 49 80 88	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(=O)Nc2ccccc2)C1	ir: 1 2 2 1 1 3 2 2 3 7 3 3 6 18 10 10 1 3 7 4 17 100 80 24 4 3 38 8 2 5 2 1 2 1 2 2 1 3 4 3 8 4 31 30 4 1 6 7 8 4 3 5 7 2 2 1 1 1 2 4 2 1 20 2 1 1 2 2 8 5 2 0 2 3 6 5 10 22 27 53 3 1 3 2 3 3 2 5 2 1 3 2 9 4 1 5 4 1 2 1 3 5 9 7 4 5 3 5 3 7 5 2 3 4 5 13 3 1 1 2 3 10 12 8 6 2 1 1 1 1 1 1 5 3 7 12 4 3 7 3 3 6 14 20 6 2 4 3 31 5 7 11 95 91 19 2 3 2 1 1 2 17 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 2 4 2 5 3 4 10 17 40 19 7 10 10 2 2 2 2 4 21 3 1 1 1 1 1 1 2 2 2 2 4 7 10 33 26 9 6 3 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 91 d 1H J 68 \| 82 81 s 1H \| 74 74 m 2H \| 74 73 dd 1H J 12 81 \| 73 71 m 5H \| 70 70 tt 1H J 11 68 \| 62 61 ddt 1H J 9 17 82 \| 50 49 dddd 1H J 9 17 42 70 \| 41 41 ddd 1H J 9 38 117 \| 39 38 ddd 1H J 9 65 119 \| 34 33 dddd 1H J 10 37 66 82 \| 33 32 ddd 1H J 7 71 125 \| 30 29 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccnc(C=O)c1OC	ir: 3 3 3 2 3 3 3 3 3 2 2 6 6 10 17 10 39 10 3 7 13 4 4 12 23 9 5 2 2 3 5 15 17 5 3 3 2 3 4 17 9 4 2 2 3 27 18 37 6 0 2 4 2 0 3 5 4 0 10 15 9 1 8 17 2 1 2 3 2 2 3 4 22 93 20 9 4 1 9 12 7 2 3 3 1 1 3 2 1 2 3 3 4 3 6 4 2 2 3 6 7 2 4 4 100 71 2 2 3 3 4 4 2 3 2 2 4 7 29 39 14 7 4 2 1 4 6 7 3 3 3 2 1 2 3 1 1 5 8 4 2 2 3 2 3 4 14 67 64 4 3 1 1 2 2 2 3 32 29 2 2 3 3 2 3 3 2 1 2 3 2 1 2 3 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 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 2 4 3 2 1 2 3 2 1 2 3 4 3 8 8 10 6 8 51 26 2 3 3 3 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 84 83 d 1H J 49 \| 69 68 d 1H J 49 \| 39 39 s 3H \| 39 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1Cl	ir: 4 2 4 1 5 8 1 3 5 3 1 1 1 3 1 7 7 6 9 5 30 19 25 13 17 5 5 2 3 3 3 4 4 3 5 14 10 2 3 5 12 31 3 3 8 6 7 12 23 6 4 8 18 18 41 23 6 7 2 2 1 2 1 2 2 1 1 1 1 1 2 3 2 5 6 1 3 2 4 4 6 19 9 17 6 4 2 4 4 3 3 13 7 3 2 1 1 1 2 2 2 2 1 1 1 1 2 2 0 1 11 4 3 9 5 1 3 3 4 1 2 2 14 3 1 1 2 1 1 1 4 10 2 2 7 7 4 2 4 8 8 2 2 6 8 41 3 4 2 23 11 3 5 5 20 23 7 100 14 4 6 3 65 2 2 3 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 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 2 1 1 1 1 2 2 3 6 11 33 16 11 4 2 1 4 1 0 1 1 1 1 1 2 1 0 8 35 19 4 4 18 5 24 25 11 13 6 80 35 44 60 2 3 3 2 0 0 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 89 88 d 1H J 13 \| 87 87 s 1H \| 84 83 dd 1H J 14 34 \| 79 79 dt 1H J 20 82 \| 76 76 d 1H J 82 \| 75 74 m 1H \| 73 73 m 3H \| 61 61 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1ccc(-c2cncc3nc(N)nn23)cc1	ir: 8 8 4 3 3 3 2 1 2 2 3 10 76 5 5 7 3 4 3 12 23 12 3 2 2 1 3 2 2 2 2 1 3 13 17 7 14 3 1 4 9 6 4 2 1 1 1 3 3 1 1 2 1 2 11 59 32 9 4 5 2 4 6 7 1 28 91 3 20 7 5 2 1 1 2 1 3 6 8 18 6 4 12 5 11 28 65 100 38 38 84 98 33 18 12 4 4 2 1 2 11 16 0 1 2 1 1 1 2 1 0 1 1 2 2 3 4 2 4 4 3 4 17 14 31 20 15 5 3 3 1 2 3 2 2 10 7 2 2 2 1 1 1 2 3 6 3 1 3 2 2 2 3 2 1 1 1 2 1 2 1 0 1 4 8 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5 4 2 1 1 1 1 1 1 1 1 1 2 4 9 62 31 17 56 25 7 8 3 4 2 2 2 1 1 2 3 4 5 2 6 4 2 2 1 3 18 8 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; 1HNMR: 94 94 d 1H J 13 \| 89 89 d 1H J 13 \| 83 82 m 2H \| 81 81 m 2H \| 61 60 s 2H \| 33 32 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)N(C)S(=O)(=O)NC(=O)c1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(F)cc1Cl	ir: 3 2 6 11 4 4 6 6 2 5 6 2 1 1 2 2 1 3 2 4 8 9 5 8 7 5 2 3 6 5 3 2 2 1 2 3 2 3 2 2 4 8 5 3 8 27 3 3 2 12 5 14 74 11 3 1 1 1 1 2 2 1 2 3 2 0 8 49 19 19 3 3 4 5 2 7 7 2 1 2 2 2 1 1 2 4 15 5 11 10 10 4 3 5 4 9 8 4 53 13 5 1 2 2 1 1 1 2 2 2 8 100 6 1 0 2 4 3 1 6 2 2 1 1 2 1 2 5 2 2 3 6 2 2 3 15 1 13 36 7 6 14 2 2 1 3 1 1 1 1 1 1 42 3 1 1 2 2 2 2 55 41 4 19 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 11 2 5 17 2 1 1 1 1 2 1 1 1 1 2 2 1 1 1 1 2 1 5 6 30 19 6 5 4 3 4 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; 1HNMR: 100 99 d 1H J 8 \| 82 81 d 1H J 46 \| 75 74 d 1H J 122 \| 65 65 q 1H J 13 \| 63 63 s 1H \| 36 35 dtdd 1H J 15 64 79 94 \| 28 28 d 3H J 16 \| 13 12 d 6H J 80	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC=CN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21	ir: 2 2 1 2 2 3 3 2 6 3 2 10 4 8 4 13 8 8 1 10 36 43 28 3 9 5 2 1 0 1 2 1 0 2 4 2 1 1 4 1 2 3 32 3 3 5 4 2 1 2 2 1 1 1 1 0 0 1 0 0 0 1 0 0 1 1 1 1 1 1 1 2 3 4 2 4 8 14 15 39 11 4 3 4 7 3 2 2 3 1 4 2 1 1 2 2 1 1 1 1 1 1 2 1 2 1 0 1 2 2 1 1 1 1 0 0 2 1 1 2 2 3 8 19 4 7 5 2 2 2 3 3 3 4 3 5 19 5 3 1 8 4 4 20 4 2 1 2 1 3 6 10 1 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 2 2 3 2 2 1 1 2 2 4 2 5 8 6 10 6 4 2 2 1 1 3 4 21 100 12 2 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 m 2H \| 77 76 ddd 2H J 7 15 77 \| 76 75 td 2H J 12 77 \| 74 74 td 2H J 14 78 \| 72 71 m 1H \| 54 53 dtt 1H J 9 60 154 \| 45 45 d 2H J 50 \| 44 43 d 2H J 10 \| 43 42 tt 1H J 7 51 \| 19 18 qd 2H J 13 64 \| 15 14 m 2H \| 9 9 t 3H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C(N)C(=O)N1CCCC1COCc1ccccc1	ir: 1 2 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 5 4 1 2 2 1 4 1 1 1 5 1 1 1 3 1 1 1 1 1 2 1 1 1 1 0 1 2 4 8 2 1 6 5 4 3 7 4 6 4 2 2 3 5 13 12 5 3 3 8 6 1 1 1 1 2 6 4 2 2 2 2 4 3 2 2 1 1 2 1 1 1 2 3 7 2 3 1 2 4 5 3 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 6 12 5 4 15 15 3 5 3 1 6 7 3 1 3 5 5 1 3 7 10 2 0 1 1 2 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 1 0 1 0 0 1 1 0 0 1 1 1 0 0 1 0 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 1 1 1 0 1 1 1 1 1 1 2 2 1 1 2 1 2 2 3 5 5 6 11 9 5 1 0 1 1 1 0 1 3 2 2 5 8 11 5 7 8 2 1 8 100 68 8 2 0 2 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 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 74 73 m 1H \| 73 73 m 4H \| 45 44 m 2H \| 43 43 d 2H J 70 \| 40 39 tt 1H J 43 54 \| 38 37 dd 1H J 43 107 \| 36 34 m 3H \| 34 34 m 1H \| 22 21 m 1H \| 21 20 m 1H J 66 \| 20 18 m 3H \| 10 9 ddd 6H J 15 66 216	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCCN(C)C1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1	ir: 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 0 1 1 1 1 1 1 1 1 1 1 2 1 1 1 0 1 1 1 1 3 8 3 1 1 1 1 1 1 1 1 3 4 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 4 2 1 1 1 3 2 4 1 1 1 1 1 1 1 1 1 1 1 4 2 2 1 1 1 1 1 0 1 3 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 2 1 1 1 0 6 0 1 1 0 18 1 1 1 1 0 100 0 0 1 3 14 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 t 1H J 9 \| 39 38 m 6H \| 37 36 m 4H \| 34 34 t 2H J 59 \| 33 33 s 2H \| 29 28 dtdt 1H J 16 46 59 73 \| 28 27 ddd 2H J 49 76 123 \| 26 25 t 2H J 64 \| 25 24 ddd 2H J 49 77 119 \| 23 22 d 3H J 16 \| 19 18 dddd 2H J 50 57 77 115 \| 18 17 p 2H J 62 \| 16 16 dddd 2H J 49 57 77 115	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

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