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Output stringlengths 5 127	Input stringlengths 850 1.64k	Instruction stringclasses 1 value
CCCCO[C@H](C)[C@@H](C)OS(C)(=O)=O	ir: 5 2 2 5 9 5 5 3 2 1 2 2 1 2 2 1 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 3 2 1 1 1 1 1 1 1 1 1 2 4 2 1 5 5 1 1 1 1 0 1 0 6 1 1 2 2 0 1 1 1 0 3 9 7 13 32 27 7 9 4 2 1 2 1 1 0 1 3 10 19 100 67 15 11 3 1 0 1 1 0 1 4 4 7 17 16 4 3 1 1 1 2 1 1 1 1 1 1 1 2 3 5 4 5 2 3 2 2 1 4 3 2 3 2 1 1 1 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 3 3 1 1 1 1 1 1 1 2 2 3 8 8 14 21 5 4 4 1 0 1 1 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 46 45 dtdd 1H J 15 62 75 90 \| 39 38 pq 1H J 15 64 \| 36 35 dt 1H J 69 111 \| 35 34 dt 1H J 69 111 \| 30 29 s 2H \| 16 15 m 2H \| 14 14 d 1H J 70 \| 14 13 m 4H \| 12 12 dd 3H J 15 64 \| 9 8 t 3H J 69	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1C(=O)N(C(CC2CCCC2)C(=O)O)c2ccccc21	ir: 0 1 2 2 5 9 12 3 1 5 13 26 23 6 3 4 3 8 37 16 41 14 15 7 3 2 7 4 2 1 2 1 1 3 2 1 9 3 5 4 2 3 3 5 14 7 4 1 1 3 1 1 3 4 2 0 1 2 4 1 2 2 3 5 2 3 1 4 3 3 6 3 6 2 4 2 3 7 8 48 14 5 2 8 6 9 4 1 2 3 1 1 2 3 2 3 8 2 1 1 3 8 6 2 4 1 1 4 11 11 7 4 5 2 2 1 9 5 5 2 2 4 6 8 4 8 4 2 2 1 1 2 2 1 1 2 3 1 14 26 2 2 2 1 22 2 1 3 2 1 2 100 1 1 1 4 2 1 1 3 4 2 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 1 1 2 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 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 1 1 2 1 0 1 1 1 0 1 2 2 1 3 3 2 0 2 3 2 1 4 7 8 22 16 4 2 2 2 1 1 1 4 32 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 78 78 dd 1H J 12 70 \| 76 75 td 1H J 13 70 \| 75 74 dd 1H J 14 66 \| 72 72 td 1H J 14 71 \| 44 43 t 1H J 59 \| 21 20 dt 1H J 60 122 \| 19 18 m 2H \| 16 15 m 4H \| 15 14 m 2H \| 14 13 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N[C@@H](Cc1ccc(N(CCO)CCO)cc1)C(=O)O	ir: 3 4 6 3 1 3 3 1 2 2 1 2 3 2 4 2 2 2 5 2 2 15 1 3 5 2 1 1 1 1 0 0 0 1 0 1 0 0 0 0 1 1 1 1 1 0 1 1 0 1 1 1 1 5 5 4 5 8 4 1 2 4 7 1 1 1 1 2 2 6 5 3 1 0 2 4 9 3 9 9 6 3 4 15 2 2 5 7 6 3 4 2 1 1 1 1 4 2 2 1 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 0 2 1 2 2 1 0 1 1 1 1 2 1 1 0 1 0 0 0 1 2 7 2 2 1 1 1 0 4 1 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 2 5 2 1 0 1 1 1 4 33 14 100 14 7 1 2 5 1 2 1 1 1 1 13 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 d 2H J 66 \| 78 77 s 1H \| 71 71 dt 2H J 9 88 \| 67 66 m 2H \| 43 42 t 2H J 61 \| 40 39 tt 1H J 51 66 \| 37 36 q 4H J 59 \| 35 34 t 4H J 58 \| 31 30 ddt 1H J 9 53 147 \| 29 28 ddt 1H J 9 51 147	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)n1nc(Nc2cccc(Cl)c2)c2ncccc21	ir: 2 1 3 6 2 1 3 5 2 2 12 14 3 8 1 1 2 2 2 5 1 1 0 2 10 3 3 8 90 100 20 25 20 8 5 2 2 13 6 2 4 3 6 2 1 3 6 7 9 2 3 2 1 1 1 1 4 5 2 1 1 7 12 3 2 6 19 21 3 1 1 0 0 0 0 1 1 1 1 2 2 2 1 1 3 2 9 4 2 10 4 1 1 1 1 1 1 1 1 1 1 2 2 5 9 5 25 7 2 1 0 1 1 0 0 1 1 4 3 8 16 35 33 6 3 5 10 7 5 13 4 8 11 5 1 1 2 2 15 19 15 17 1 2 1 1 1 3 10 4 1 2 28 27 10 11 13 0 7 4 1 2 9 60 5 1 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 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 2 1 1 1 1 0 1 1 1 1 2 2 2 6 8 9 20 31 46 21 3 2 2 1 1 0 1 1 1 2 1 1 1 0 1 1 1 1 2 3 9 45 41 21 15 3 1 1 1 2 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 86 dd 1H J 20 37 \| 86 85 s 1H \| 84 83 dd 1H J 21 74 \| 76 76 t 1H J 21 \| 75 74 dd 1H J 37 75 \| 73 72 t 1H J 79 \| 71 71 ddd 1H J 12 22 77 \| 70 70 ddd 1H J 12 21 79 \| 16 15 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1CCN(C(=O)c2cc3cc(C(=O)N4CCN(C(C)C)CC4)ccc3n2CC2CC2)CC1	ir: 1 9 14 6 40 11 5 14 10 3 9 2 2 3 2 2 3 3 4 2 13 3 5 5 2 2 2 2 1 4 3 1 2 5 20 3 31 22 40 50 32 17 14 8 7 5 3 1 10 6 3 2 4 7 12 71 8 4 4 6 16 11 6 5 4 4 7 11 32 16 9 8 5 2 2 5 3 8 4 5 10 3 7 32 10 5 13 9 9 12 19 33 5 5 2 3 5 8 15 14 14 10 11 8 10 4 12 21 14 8 7 3 5 18 4 7 8 19 23 12 31 14 24 12 16 11 9 6 21 20 16 21 26 10 4 16 12 10 35 9 4 1 3 10 32 54 14 18 11 22 4 10 6 36 23 12 3 1 4 2 2 1 1 1 4 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 3 1 1 3 5 4 6 6 4 3 4 11 9 29 37 31 13 100 41 53 13 30 9 4 2 1 2 2 1 1 2 2 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 84 84 dt 1H J 10 21 \| 77 77 d 2H J 10 \| 72 72 d 1H J 23 \| 42 41 d 2H J 44 \| 38 37 ddd 2H J 60 87 123 \| 37 37 m 3H \| 35 34 m 4H \| 34 33 d 3H J 15 \| 29 28 ddd 4H J 8 44 53 \| 28 27 dq 1H J 67 133 \| 22 21 dddd 2H J 48 60 86 132 \| 20 19 dddd 2H J 48 59 88 132 \| 15 14 pt 1H J 44 57 \| 11 10 d 6H J 66 \| 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.
CCOC(=O)c1c(OC(C)=O)c(OC(C)=O)c(C(=O)N(C)C)n1-c1ccc(OC)cc1	ir: 3 5 7 5 5 5 4 7 11 6 4 4 4 6 12 8 3 4 4 6 4 4 6 15 31 12 6 5 4 3 4 4 6 3 5 11 4 2 7 14 23 7 7 10 4 2 3 6 5 2 3 5 5 7 15 3 8 19 9 7 9 4 7 13 3 3 4 6 6 17 10 2 2 8 4 6 5 2 2 2 3 3 2 2 2 3 4 4 4 3 2 3 9 3 2 3 2 2 2 2 2 11 4 6 13 3 2 17 13 4 3 2 3 3 22 11 8 8 4 9 5 8 6 6 25 8 14 8 4 6 4 3 2 7 3 1 0 4 5 0 14 10 23 100 99 17 0 12 22 87 13 8 30 27 8 4 73 1 3 3 2 1 2 5 2 1 2 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 1 1 1 2 2 1 1 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 3 3 5 3 5 3 3 3 5 4 4 4 5 3 4 17 15 10 28 24 17 10 5 4 4 3 2 2 2 2 2 2 2 2 2 2 2 2 1 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 78 78 m 2H \| 70 70 m 2H \| 44 43 q 2H J 64 \| 38 38 s 3H \| 30 30 s 5H \| 23 23 d 7H J 27 \| 14 13 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cnc(N2CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cn1	ir: 16 18 15 18 34 25 7 18 12 28 27 16 31 63 18 54 83 14 30 7 3 3 3 1 3 10 4 2 1 6 3 4 3 9 10 3 6 6 3 1 3 9 4 3 2 2 1 1 2 1 1 0 1 4 7 5 8 7 12 9 3 11 12 10 6 4 10 4 11 38 61 100 14 19 9 13 5 2 2 2 1 1 2 7 6 17 6 6 6 9 9 3 2 13 20 22 27 13 4 6 14 6 16 10 22 21 26 45 17 23 4 12 2 28 20 6 12 19 16 53 93 57 63 60 24 18 40 69 21 15 11 20 49 28 17 39 89 71 13 12 4 21 37 39 3 5 3 2 3 9 75 57 12 15 4 1 1 1 2 3 11 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 1 1 2 3 5 5 14 12 4 4 13 29 15 19 11 10 8 17 13 11 59 18 9 8 5 1 2 2 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 80 80 d 1H J 8 \| 76 76 s 1H \| 38 36 dddd 5H J 61 88 123 166 \| 34 33 dddd 5H J 61 88 123 240 \| 25 25 s 2H \| 19 18 m 5H \| 17 16 m 2H \| 16 14 m 4H \| 15 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1ccc(Oc2cc(OC3CCOCC3)c3[nH]c(C(=O)O)cc3c2)cc1	ir: 1 2 1 1 0 1 1 1 3 4 4 11 16 3 7 2 2 2 2 1 2 4 94 100 10 1 1 1 1 2 1 1 2 1 2 2 1 3 7 2 1 0 1 0 1 0 0 1 2 2 1 0 1 1 3 18 13 1 2 1 1 1 1 2 6 11 3 0 3 6 2 2 1 3 0 0 4 17 34 10 1 3 23 2 18 6 6 4 7 4 2 2 1 1 2 6 1 1 3 3 2 19 1 1 3 8 10 3 1 1 2 1 2 2 8 2 0 3 6 5 3 1 3 2 10 8 1 2 1 0 1 5 6 2 1 1 0 0 0 0 0 1 1 3 2 1 1 6 6 24 20 1 1 0 0 0 0 1 2 1 1 1 1 8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 0 0 1 0 0 1 2 2 3 9 10 17 52 9 2 5 2 2 1 1 1 0 2 1 0 0 0 0 1 0 0 0 0 1 0 1 1 0 7 9 4 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 m 2H \| 72 72 m 2H \| 72 71 m 2H \| 63 63 d 1H J 21 \| 49 49 p 1H J 51 \| 38 37 ddd 2H J 37 63 112 \| 37 36 ddd 2H J 37 63 112 \| 33 32 s 3H \| 22 21 dddd 2H J 37 50 62 141 \| 20 19 dddd 2H J 37 50 62 141	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2cc(C(=O)O)c(=O)oc2c1OC	ir: 2 3 2 2 2 2 1 1 3 10 8 6 4 2 2 3 2 3 4 5 4 4 10 65 52 4 2 4 14 20 17 5 4 4 2 3 2 2 2 2 4 2 2 2 2 1 1 2 2 1 1 4 3 1 2 1 17 0 3 4 3 4 3 3 2 1 2 2 2 1 2 5 3 2 2 3 6 4 18 100 4 2 2 6 3 1 1 2 1 3 3 3 2 1 1 1 1 1 2 1 4 10 2 2 1 3 3 16 4 1 1 1 2 2 3 3 4 5 2 2 1 2 2 1 1 2 2 3 2 2 1 3 17 4 3 1 1 2 2 1 1 2 6 6 2 3 4 22 11 12 2 2 10 3 1 3 2 0 34 8 2 2 1 1 7 5 2 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4 2 2 5 13 15 21 2 1 2 3 2 1 12 83 49 4 1 1 2 2 1 1 1 2 1 1 2 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 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 84 s 1H \| 74 73 d 1H J 92 \| 69 69 d 1H J 90 \| 40 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.
CC(C)OC(=O)C1CN(C(=O)c2cccc(C(F)(F)F)c2)CC(C)(C)c2cc(C#N)[nH]c21	ir: 37 23 30 16 30 14 6 15 25 17 3 19 22 12 7 15 21 7 4 16 18 9 6 16 19 12 8 17 28 12 9 24 24 7 11 35 27 42 21 21 44 6 12 22 19 4 10 24 62 16 17 42 33 14 15 27 16 6 13 21 11 0 13 20 12 3 13 21 18 8 16 28 12 5 26 31 11 8 17 18 9 10 23 19 6 6 18 18 9 14 29 20 12 10 20 17 6 13 60 58 44 23 32 28 6 13 21 13 12 16 26 38 100 17 24 14 5 20 40 23 21 36 32 26 12 22 28 13 31 34 27 9 5 15 20 14 10 28 29 12 17 41 17 11 39 24 41 76 45 21 16 8 14 22 13 21 15 20 13 3 9 19 13 2 9 19 11 2 9 19 10 1 11 19 10 1 11 18 9 2 12 17 9 10 12 17 8 3 13 16 7 4 14 16 7 5 14 15 6 5 15 14 5 6 15 14 5 7 16 13 4 7 17 13 4 8 17 12 3 9 18 11 2 9 18 11 2 10 19 10 2 11 18 9 2 11 17 9 3 12 17 8 4 12 16 8 4 13 16 7 5 14 15 7 6 14 14 6 6 15 14 5 7 15 13 5 8 16 13 6 10 18 12 5 10 20 15 5 11 21 17 12 17 25 35 18 16 39 34 15 23 20 11 5 12 16 9 5 12 16 9 5 12 15 8 5 14 15 9 11 17 17 28 53 28 21 16 10 16 14 7 8 15 13 5 8 15 12 5 8 16 11 4 9 16 11 4 9 17 10 3 10 17 10 4 10 16 9 4 11 16 9 4 11 15 8 5 12 15 8 5 12 14 8 6 13 14 7 6 13 13 7 7 14 13 6 7 14 12 6 8 14 12 6 8 15 11 5 9 15 11 5 9 16 11 4 10 16 10 4; 1HNMR: 85 84 s 1H \| 80 80 t 1H J 22 \| 77 77 m 2H \| 76 75 dd 1H J 78 105 \| 68 68 s 1H \| 50 50 dq 1H J 58 115 \| 44 43 m 2H \| 41 40 dd 1H J 40 112 \| 40 39 d 1H J 123 \| 39 39 d 1H J 125 \| 15 15 s 3H \| 15 15 s 3H \| 12 12 dd 7H J 36 58	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(O)c1	ir: 1 2 1 1 0 1 3 4 1 1 2 2 1 3 6 3 2 3 3 2 3 3 4 1 1 2 5 5 5 2 1 1 1 1 2 5 4 2 7 9 20 9 4 0 1 1 1 1 1 2 2 1 2 6 6 24 8 2 2 3 1 1 2 4 6 1 4 11 10 14 6 12 10 2 7 2 1 2 6 14 1 6 100 0 9 22 5 6 8 6 3 2 3 2 1 10 3 2 1 2 1 4 1 2 2 1 1 2 3 5 2 2 3 1 0 2 3 4 3 7 3 6 2 4 18 5 2 24 3 1 1 1 1 2 3 3 42 5 5 4 3 2 1 2 2 1 9 4 2 4 7 9 3 5 5 2 1 1 1 1 1 7 13 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 1 1 2 4 4 2 2 2 3 20 6 2 4 10 6 11 78 7 8 4 11 6 9 10 50 10 2 2 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 78 78 d 1H J 84 \| 78 77 m 2H \| 77 77 m 2H \| 67 67 dd 1H J 22 84 \| 65 65 d 1H J 22 \| 58 57 ddt 1H J 56 112 167 \| 53 52 ddt 1H J 13 24 167 \| 51 50 m 1H \| 41 40 t 2H J 63 \| 32 31 dt 2H J 13 55 \| 25 25 t 2H J 62 \| 23 22 s 2H \| 18 17 tt 2H J 63 75 \| 16 15 m 2H \| 15 13 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCOc1nc(N)nc2c1CCCC21CCCC1	ir: 8 4 6 3 3 2 5 5 3 5 5 3 3 8 4 6 4 4 5 18 11 7 8 2 9 6 3 5 4 4 9 3 2 2 2 9 4 9 10 46 37 13 13 11 9 6 6 3 5 19 4 3 9 5 4 3 2 1 2 2 3 3 4 13 4 4 8 6 3 4 3 8 2 5 3 1 1 3 2 2 2 3 3 4 2 1 4 13 1 2 3 10 11 4 1 2 2 2 2 2 4 2 1 1 2 1 1 2 0 2 3 2 10 3 2 3 3 2 2 3 2 2 2 3 1 3 3 3 3 6 6 3 5 4 3 2 1 2 2 2 3 6 4 8 15 39 14 5 4 7 55 35 100 0 2 3 2 0 1 1 1 0 1 1 0 1 1 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 0 0 1 1 1 1 2 2 2 1 1 1 1 1 3 12 4 2 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 2 6 11 2 2 2 2 1 1 1 1 1 2 10 96 8 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 66 66 s 2H \| 43 43 t 2H J 75 \| 30 30 t 2H J 75 \| 26 24 m 2H \| 25 25 s 7H \| 21 20 m 2H \| 20 18 m 7H \| 19 19 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=CC1(c2ccc3ccccc3c2)CCCC1	ir: 3 2 0 2 4 1 0 2 3 2 27 26 7 2 0 3 5 2 3 3 5 1 0 2 3 1 1 4 4 1 1 3 4 2 2 5 5 9 4 5 6 70 51 32 6 4 5 4 2 3 3 11 9 21 12 10 4 3 5 20 11 4 7 5 3 13 23 9 17 4 5 4 5 3 10 8 3 1 3 4 2 1 3 5 2 6 3 4 3 5 8 4 3 4 5 5 9 9 7 7 6 7 14 22 7 18 9 11 6 3 4 4 3 10 7 5 3 2 4 3 0 3 4 2 1 4 8 6 8 3 4 2 1 3 8 14 5 3 4 1 1 3 5 3 2 4 4 19 16 19 30 28 6 23 18 4 9 24 14 3 2 3 2 0 2 3 2 0 1 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 0 1 3 1 0 1 3 1 0 1 3 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 4 3 6 3 3 1 3 4 6 3 3 3 2 2 4 5 21 6 31 98 100 7 7 6 4 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 97 97 p 1H J 9 \| 79 78 dt 1H J 16 78 \| 78 78 d 1H J 81 \| 78 77 t 1H J 22 \| 77 76 dd 1H J 11 85 \| 76 75 m 2H \| 74 74 ddd 1H J 10 68 80 \| 24 23 m 2H \| 22 21 m 2H \| 20 19 m 2H \| 19 18 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nn(-c2ccc(CC#N)cn2)c(C)c1-c1ccccc1	ir: 3 3 3 2 2 2 4 5 7 3 4 8 5 10 5 7 5 3 3 2 3 3 2 2 2 3 4 3 3 3 3 6 32 51 7 3 4 3 6 6 4 21 46 0 2 5 3 0 2 4 2 1 3 5 5 2 5 11 19 36 11 9 6 11 12 9 6 4 20 9 6 10 8 4 17 6 7 14 16 18 4 2 4 9 4 7 20 39 14 6 6 7 10 8 3 5 11 18 10 5 10 8 20 15 21 7 3 3 3 3 3 4 3 5 4 6 10 15 20 20 29 22 10 6 5 4 3 6 9 3 2 4 5 5 16 17 19 22 3 2 8 5 10 20 8 8 10 13 6 4 3 1 19 2 2 2 2 2 2 5 3 2 2 50 9 1 3 4 10 1 2 3 2 1 5 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 2 3 3 2 2 4 12 10 3 6 7 6 9 6 7 6 8 10 20 29 34 30 52 100 44 40 22 13 14 3 3 3 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 84 84 dt 1H J 8 18 \| 82 81 d 1H J 81 \| 78 78 ddt 1H J 9 20 81 \| 75 74 m 2H \| 74 73 m 3H \| 39 39 d 2H J 9 \| 26 25 s 3H \| 25 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1ccc2ccccc2n1	ir: 3 4 2 3 5 3 12 18 9 8 8 4 3 10 3 27 7 5 6 4 3 3 2 3 3 22 32 4 5 3 2 2 3 5 2 2 2 2 2 2 2 3 26 6 3 0 2 18 60 9 3 1 6 23 7 2 2 2 2 2 2 12 10 2 2 2 2 2 2 5 16 5 2 3 7 11 3 2 2 2 2 2 2 3 10 1 2 2 2 2 4 5 2 2 2 2 3 3 2 4 11 4 3 2 4 13 3 2 2 4 10 3 2 2 2 2 2 2 3 4 4 11 21 16 12 4 6 3 4 16 6 3 2 2 4 10 6 3 2 3 3 7 43 15 8 17 41 100 13 89 9 3 5 5 4 2 22 44 2 3 2 2 2 2 1 36 2 2 2 1 2 2 2 2 2 2 1 1 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 2 2 2 2 1 1 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 1 2 2 2 1 2 2 2 2 4 5 6 75 91 8 7 5 3 2 2 2 2 2 2 2 2 2 3 2 2 2 2 4 10 21 20 15 45 66 60 12 34 14 5 3 3 3 2 2 1 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 2 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 81 81 d 1H J 80 \| 79 79 m 1H \| 78 78 m 1H \| 77 76 td 1H J 12 79 \| 75 74 td 1H J 15 80 \| 71 71 d 1H J 80 \| 59 58 q 1H J 47 \| 29 29 d 3H J 46	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nc(-c2cc(N)ccc2Oc2ccccc2)ccc1=O	ir: 14 17 14 13 5 4 5 3 2 3 1 6 1 2 5 1 1 2 2 2 2 2 7 3 2 2 2 2 1 6 2 2 2 3 1 3 3 2 19 16 9 4 3 6 1 2 2 1 1 1 1 2 2 1 4 25 21 39 3 2 3 1 1 2 2 2 4 5 10 4 1 1 1 2 2 1 1 5 6 3 20 2 2 3 2 1 1 1 5 3 3 2 7 3 1 1 3 1 1 1 1 1 1 2 1 2 1 2 2 2 2 3 2 5 3 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 8 3 3 5 3 5 1 8 19 4 3 11 3 15 11 6 2 16 8 13 10 100 16 3 20 3 23 5 3 16 0 1 3 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 1 1 1 1 1 1 2 2 2 3 2 2 3 11 9 15 34 33 7 8 9 3 1 1 1 1 1 1 1 1 1 1 1 2 11 16 1 2 2 1 1 1 1 1 1 2 77 67 5 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 78 d 1H J 92 \| 74 73 m 2H \| 71 71 tt 1H J 14 75 \| 70 70 m 2H \| 70 70 d 1H J 86 \| 69 69 d 1H J 22 \| 69 68 d 1H J 92 \| 67 66 dd 1H J 21 87 \| 47 46 s 2H \| 37 36 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1CCc2c1nc(S)[nH]c2=O	ir: 12 12 11 11 11 11 11 11 11 12 12 11 13 13 14 16 13 12 11 11 17 17 16 26 13 12 12 15 16 12 12 11 11 12 12 11 11 12 13 13 12 14 16 19 25 37 100 78 29 9 12 14 13 10 14 20 17 11 14 16 13 11 12 16 14 10 13 19 20 23 17 13 12 13 12 11 11 11 12 14 16 12 12 12 12 11 12 12 11 11 12 11 11 12 12 11 11 11 11 11 11 11 12 11 11 12 13 17 16 13 12 18 16 12 12 12 12 12 13 12 12 13 13 20 19 12 12 13 24 18 12 12 11 11 11 12 12 11 11 12 13 10 13 22 92 72 16 8 9 14 13 9 10 14 13 8 10 17 13 1 45 0 10 15 12 10 11 13 11 11 11 12 11 11 11 12 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 11 11 12 12 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 19 16 12 11 12 12 11 11 12 11 11 11 11 11 11 11 11 11 11 11 12 12 11 12 12 12 12 12 12 12 12 12 18 17 12 11 12 11 11 11 11 11 11 11 12 11 11 12 12 12 12 12 12 12 12 11 12 12 12 24 63 17 13 12 13 14 16 13 12 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11; 1HNMR: 97 96 s 1H \| 49 49 tq 1H J 16 46 \| 33 33 d 3H J 14 \| 27 26 ddd 1H J 45 63 146 \| 26 25 ddd 1H J 46 64 147 \| 21 20 ddt 1H J 46 64 123 \| 19 18 ddt 1H J 45 62 121	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](N)C(C)(C)C)C(=O)NS(=O)(=O)Cc1ccccc1	ir: 6 8 2 2 10 24 6 1 2 6 3 1 1 1 3 2 2 6 2 10 9 8 5 1 2 1 1 1 1 5 15 4 6 7 5 0 10 9 6 32 17 5 4 2 5 5 2 1 1 0 1 3 5 8 3 4 14 29 6 1 3 10 4 11 15 1 4 8 27 20 3 1 4 2 3 1 5 11 19 25 5 2 2 6 4 25 16 3 9 10 4 3 1 2 2 1 0 5 7 2 1 1 1 1 1 1 1 1 14 9 2 4 1 2 1 1 1 2 4 3 3 4 3 5 3 2 5 8 6 6 8 22 20 24 10 30 36 44 6 7 3 3 11 2 2 3 7 6 11 21 2 2 2 1 0 1 1 1 1 2 1 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 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 1 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 1 1 2 1 1 1 1 2 4 1 1 2 2 3 3 8 16 10 13 26 10 6 1 1 1 1 1 1 1 1 2 1 3 18 30 11 6 3 4 4 7 37 100 53 9 4 2 2 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 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; 1HNMR: 74 73 m 5H \| 63 63 dp 1H J 15 83 \| 57 57 s 1H \| 48 47 m 1H \| 44 44 t 2H J 8 \| 38 38 d 2H J 72 \| 36 36 dddt 1H J 16 31 60 88 \| 29 29 d 3H J 15 \| 20 19 dqd 1H J 17 73 146 \| 19 18 t 3H J 13 \| 10 10 m 15H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cn1c(-c2ccccc2C=O)c(C2CCCCC2)c2sc(C(=O)OC)cc21	ir: 1 2 4 2 6 3 3 3 4 2 2 2 1 1 1 1 1 2 2 4 2 2 1 3 3 1 2 1 1 2 1 1 2 3 1 1 1 1 1 4 1 1 22 9 6 5 9 19 9 2 4 3 7 1 3 7 4 1 4 2 7 2 6 2 5 4 8 2 2 9 9 2 2 1 8 5 2 1 2 2 2 1 2 2 1 13 1 1 1 1 1 1 2 3 3 2 3 3 1 1 1 1 1 4 2 2 4 3 4 14 7 12 19 25 17 9 2 8 16 27 10 4 6 7 6 4 19 7 9 3 3 1 1 4 2 1 2 9 4 20 6 2 2 4 3 1 3 3 5 6 2 1 1 0 1 2 31 4 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 0 1 1 1 1 0 0 1 0 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 0 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 6 1 2 6 9 2 6 5 5 2 5 5 13 10 39 9 11 100 18 4 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 79 78 dd 1H J 15 75 \| 75 74 m 3H \| 74 74 td 1H J 15 74 \| 50 50 s 2H \| 39 39 s 3H \| 38 37 s 3H \| 35 34 p 1H J 48 \| 20 19 dddd 2H J 49 63 79 119 \| 17 14 m 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Br)c2ncnc(O)c2c1	ir: 5 6 8 9 6 6 6 6 6 7 6 9 5 7 8 9 96 7 4 7 8 11 6 6 6 6 6 6 6 15 3 8 8 5 5 7 7 5 6 7 7 5 6 7 6 6 6 7 6 6 8 13 23 10 7 6 6 7 7 7 6 6 7 8 7 7 8 11 12 19 13 9 11 8 6 6 6 6 6 6 6 6 6 7 7 13 14 7 6 6 6 6 6 6 7 8 30 25 5 6 7 6 5 6 7 6 5 6 6 6 17 11 6 6 6 6 6 6 6 6 6 6 7 7 12 11 7 8 8 7 6 6 6 6 6 6 6 6 7 12 6 6 6 6 8 8 6 6 7 15 9 6 6 5 9 9 9 6 24 5 5 8 6 5 8 10 6 5 6 7 6 5 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 10 9 7 6 5 6 9 5 0 100 23 7 9 5 4 7 7 5 5 6 7 6 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6; 1HNMR: 84 83 s 1H \| 79 79 d 1H J 20 \| 75 75 d 1H J 25 \| 24 24 s 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCN1C(=O)COc2ccc(C3CC(=O)C(C(CC)=NOCC)=C(O)C3)cc21	ir: 2 2 1 1 3 1 3 4 4 2 1 2 3 3 3 3 8 8 9 8 16 8 7 13 6 5 4 8 7 5 4 4 2 6 2 2 2 2 1 1 1 1 4 3 4 2 1 1 1 3 4 1 6 11 21 3 1 2 2 2 2 3 3 2 4 3 8 8 4 9 7 7 3 4 7 3 1 1 2 1 1 1 2 2 1 4 2 2 4 4 13 30 7 5 9 3 5 7 3 3 1 3 3 5 3 2 5 2 5 4 1 1 1 3 1 2 2 3 5 3 5 7 6 2 6 5 3 2 1 1 4 2 1 1 2 1 3 11 5 3 7 2 1 1 1 3 5 15 9 3 2 2 3 1 2 9 5 18 4 2 0 0 0 1 2 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 2 4 3 3 1 7 7 5 2 12 7 5 9 12 13 6 4 7 14 13 100 25 4 2 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; 1HNMR: 73 72 dd 1H J 7 22 \| 70 70 m 1H \| 68 67 d 1H J 89 \| 60 59 ddt 1H J 56 113 168 \| 53 52 ddt 1H J 13 24 167 \| 52 51 dq 1H J 17 113 \| 48 47 m 4H \| 42 41 q 2H J 64 \| 34 33 m 1H \| 32 31 dd 1H J 72 162 \| 30 29 dd 1H J 72 162 \| 29 28 m 3H \| 26 26 dd 1H J 73 159 \| 13 13 t 3H J 64 \| 13 12 t 3H J 77	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN1c2ncc(Cc3cccc(O)c3)cc2C(=O)N(C)c2ccc(Cl)nc21	ir: 2 3 8 5 6 5 0 5 4 2 4 1 6 5 2 2 2 1 5 3 2 3 3 3 2 2 1 5 2 2 1 2 4 8 2 6 8 6 6 9 5 5 7 36 100 32 18 29 4 5 9 5 4 9 7 2 1 2 1 2 1 1 1 2 1 1 3 11 11 11 3 1 2 2 2 4 9 11 12 5 7 37 7 21 10 3 2 2 3 8 4 6 7 4 8 5 4 2 3 6 7 2 1 3 3 12 2 5 3 1 1 1 4 4 4 2 1 3 3 4 5 6 5 6 2 2 3 10 4 2 3 5 2 1 3 3 5 38 10 11 11 11 15 12 2 2 16 3 3 5 8 37 21 5 14 27 3 3 1 0 15 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 2 2 1 1 1 0 1 2 5 5 16 16 80 23 19 2 2 2 2 4 15 7 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 81 dt 1H J 9 18 \| 80 80 dt 1H J 9 18 \| 74 73 d 1H J 84 \| 73 72 d 1H J 82 \| 72 71 dd 1H J 75 85 \| 70 69 ddq 1H J 10 20 75 \| 67 67 ddd 1H J 13 22 86 \| 67 66 tt 1H J 9 20 \| 63 63 s 1H \| 44 43 q 2H J 83 \| 40 40 p 2H J 9 \| 34 33 s 2H \| 13 12 t 3H J 82	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCS(=O)(=O)N(c1ccc(F)c(C(=O)OC)c1Cl)S(=O)(=O)CCC	ir: 1 16 7 14 5 31 31 30 12 3 2 15 5 5 7 8 3 1 0 2 3 1 0 2 4 1 2 2 6 4 1 2 2 1 1 1 2 1 3 6 5 9 15 10 2 1 3 2 1 1 1 1 2 3 32 9 5 2 1 4 1 0 1 3 2 8 39 2 2 2 3 5 3 1 3 1 4 12 7 2 2 55 7 4 7 3 100 21 30 3 6 27 13 3 4 1 1 1 3 2 1 3 5 5 11 20 24 6 4 3 3 3 2 3 1 2 1 3 6 17 8 18 7 3 2 3 2 5 1 5 3 1 11 2 1 1 1 4 3 2 2 2 7 3 4 6 16 9 1 2 1 0 9 6 1 1 1 0 0 2 2 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 4 2 2 3 5 12 4 2 2 3 3 3 4 14 15 43 8 23 11 2 1 3 1 1 1 1 1 0 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0; 1HNMR: 77 76 dd 1H J 47 85 \| 73 72 dd 1H J 84 101 \| 39 39 s 2H \| 34 33 t 4H J 82 \| 19 18 m 4H \| 11 10 t 6H J 87	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ncc(-c2nc(N3CCOCC3)c3sc(-c4ccc(CNC(=O)CO)cc4)cc3n2)cn1	ir: 7 8 2 4 1 3 5 1 3 2 3 2 2 2 3 2 4 4 1 2 1 1 2 2 4 3 19 5 6 4 7 11 1 2 2 4 2 1 2 2 1 1 1 1 2 2 3 5 4 16 15 4 8 18 11 29 9 2 5 26 14 5 3 5 3 4 2 0 2 2 2 1 2 1 1 1 1 1 1 1 2 2 1 1 2 4 9 5 28 9 6 6 2 2 5 2 3 4 3 7 1 1 1 1 1 1 1 1 0 1 2 3 4 1 2 1 1 2 1 1 4 5 0 10 1 4 5 3 2 2 1 1 1 1 2 1 1 2 2 2 0 6 10 16 7 40 49 48 7 14 15 6 1 11 90 17 4 2 1 2 4 55 2 5 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 1 1 3 3 2 4 3 6 4 2 1 1 1 5 11 4 1 1 1 1 1 1 2 1 5 6 3 5 5 12 2 6 3 3 2 3 2 100 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 89 s 2H \| 79 79 s 1H \| 78 77 m 2H \| 74 73 dq 2H J 9 73 \| 73 72 t 1H J 52 \| 66 66 s 2H \| 45 45 dt 2H J 9 53 \| 41 41 d 2H J 57 \| 39 38 m 4H \| 37 36 m 4H \| 33 32 t 1H J 57	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=CC1=Cc2cc(-c3ccccc3)ccc2OC1	ir: 0 1 3 2 2 3 3 2 0 3 2 3 7 19 7 7 3 4 3 1 1 2 4 2 2 3 4 1 6 23 15 5 3 11 4 6 9 7 7 9 53 11 5 1 1 2 2 0 1 3 2 1 11 43 32 6 3 2 1 1 4 5 5 4 4 29 40 22 15 6 2 5 34 9 3 2 2 5 14 3 2 2 1 1 2 2 2 1 4 12 4 5 3 2 2 6 5 4 27 30 5 5 4 5 21 1 1 2 2 2 0 1 3 5 5 6 4 9 10 2 2 2 2 2 5 3 2 2 2 2 1 3 4 4 5 40 12 2 2 7 9 16 49 7 5 2 25 9 5 3 13 21 6 7 1 2 2 3 1 1 1 5 1 2 1 6 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 1 1 1 0 1 2 7 1 1 1 1 1 3 3 2 1 2 4 2 4 7 19 27 38 100 21 10 7 4 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 96 96 q 1H J 11 \| 78 78 q 1H J 10 \| 77 77 d 1H J 22 \| 76 75 m 2H \| 75 75 dd 1H J 22 86 \| 75 74 m 2H \| 74 73 m 1H \| 70 70 d 1H J 86 \| 50 50 t 2H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)nc1Cl	ir: 12 9 10 9 11 5 0 7 17 23 5 6 7 3 2 5 20 11 4 6 7 3 2 5 5 7 0 6 6 3 3 9 10 4 5 10 14 71 20 23 100 8 10 7 5 2 4 7 4 2 4 10 24 12 5 8 5 1 5 10 9 1 4 7 4 0 5 15 11 2 5 6 3 2 11 14 8 11 5 6 2 9 6 9 7 3 9 8 3 3 6 5 2 3 6 5 1 3 6 5 2 3 7 8 4 3 7 4 1 3 7 4 1 7 18 5 2 5 8 4 10 7 7 4 2 5 6 4 4 21 8 4 19 9 7 3 3 5 35 45 4 7 13 39 18 10 9 2 7 8 5 3 6 38 49 8 10 7 8 12 24 7 4 2 4 6 4 1 4 6 4 1 4 6 3 1 4 6 3 1 4 6 3 1 4 6 3 2 4 5 3 2 5 5 3 2 5 5 2 2 5 5 2 2 5 5 2 3 5 4 2 3 5 4 2 3 6 4 1 3 6 4 1 3 6 4 1 4 6 4 1 4 6 3 1 4 6 3 2 4 6 3 2 4 5 3 2 4 5 3 2 5 5 3 2 5 5 2 3 5 5 2 3 5 5 2 3 5 4 2 3 5 4 2 3 6 4 2 4 6 4 3 4 9 12 7 18 73 43 3 4 8 6 2 4 6 3 2 4 6 3 2 4 5 3 2 5 5 3 2 5 5 3 2 5 5 2 3 5 5 2 3 5 4 2 3 5 4 2 3 5 4 2 3 6 4 2 3 6 4 2 4 6 4 2 4 6 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 3 5 5 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 4 5 4 2; 1HNMR: 83 82 d 1H J 79 \| 82 81 d 1H J 77 \| 80 80 dd 2H J 31 50 \| 78 78 dd 2H J 31 50 \| 39 39 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C(=O)N2C=C3CC=CN3Cc3ccccc32)ccc1CN	ir: 2 3 1 1 3 2 3 4 7 9 2 2 4 1 3 10 3 1 2 2 1 1 3 3 2 2 1 11 5 2 2 27 4 2 3 2 1 3 27 8 6 15 49 11 20 6 2 2 1 0 2 2 3 1 5 6 15 3 5 3 6 100 6 5 8 3 4 5 7 12 72 47 7 8 3 4 1 2 5 12 42 2 2 6 3 2 8 5 5 1 5 7 2 3 3 3 2 3 2 2 8 8 5 2 1 3 4 2 0 2 2 2 0 3 5 3 1 3 2 5 24 14 5 5 5 18 6 4 3 5 9 26 64 35 25 13 2 7 7 1 2 8 15 9 7 1 49 1 9 7 3 21 4 2 4 2 3 2 1 3 1 2 1 1 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 3 2 0 2 3 1 1 3 6 7 6 35 34 63 4 4 3 2 2 2 2 2 6 8 4 7 5 25 19 9 5 3 3 2 45 34 4 2 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 1 1 1 0 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: 77 77 dd 1H J 7 21 \| 77 76 dd 1H J 21 85 \| 75 75 dd 1H J 14 76 \| 74 73 td 1H J 18 77 \| 73 73 m 2H \| 71 70 m 2H \| 64 63 dp 1H J 9 75 \| 51 50 dt 1H J 37 73 \| 48 48 t 2H J 9 \| 40 39 td 2H J 7 62 \| 30 30 dt 2H J 9 37 \| 23 23 s 2H \| 16 15 t 2H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C(=O)c2ccc(CC#N)n2C)c(Cl)c1	ir: 3 6 10 7 5 6 9 4 2 4 5 8 6 8 7 10 3 4 4 2 3 4 10 14 8 4 4 6 2 4 3 2 3 5 4 2 2 6 6 0 7 35 80 38 9 3 4 11 7 5 5 5 6 40 36 15 13 21 12 8 8 12 7 21 9 4 9 23 9 6 12 17 10 5 4 4 4 5 5 7 4 3 3 3 9 9 6 3 4 3 3 4 6 8 4 6 11 9 9 5 6 4 3 4 8 6 8 3 7 8 9 6 6 4 6 8 5 31 15 7 9 4 8 7 8 5 5 8 4 3 3 4 4 4 7 7 18 25 23 21 9 5 4 6 7 16 7 6 6 16 3 7 46 75 8 4 3 4 8 3 7 5 3 4 3 2 2 3 3 2 3 3 3 2 3 3 3 3 3 23 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 4 5 3 4 4 5 4 3 6 6 5 6 7 8 7 9 16 9 100 24 96 56 19 6 2 4 4 3 2 4 3 3 2 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 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 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 2 3 2 2 2 3; 1HNMR: 77 76 d 1H J 84 \| 73 73 m 2H \| 71 71 m 1H \| 65 65 dt 1H J 10 69 \| 38 38 m 5H \| 23 23 d 3H J 9	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC12Cc3cc(O)ccc3C1=C(C)C(=O)C(CC(=O)CO)C2	ir: 5 5 2 11 11 10 10 11 10 7 6 4 6 9 10 13 17 30 19 19 25 20 19 37 15 10 25 12 12 14 6 5 6 3 5 3 3 3 5 9 3 4 2 7 6 11 10 20 9 1 4 3 4 3 16 13 15 10 5 5 3 1 2 2 3 4 5 8 12 4 5 2 2 2 2 4 4 4 11 54 62 36 28 12 4 4 6 5 3 9 6 13 12 10 24 31 13 23 26 83 26 27 14 8 3 8 9 7 4 5 12 7 2 3 5 3 1 7 10 15 27 12 3 9 5 5 4 3 3 11 12 6 3 6 9 15 13 6 3 2 4 12 16 80 10 2 2 2 2 2 2 9 11 5 3 2 9 7 2 1 1 1 21 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 1 1 2 1 1 2 2 2 0 2 2 1 1 2 2 1 1 2 2 1 1 1 2 1 0 2 2 1 1 1 2 1 1 1 2 1 1 2 3 1 1 2 3 3 3 3 3 3 7 4 6 4 6 3 5 4 9 27 25 11 9 22 36 17 23 100 77 43 11 33 23 3 4 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 2 0 1 2 2 2 2 2 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 2 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: 74 74 d 1H J 91 \| 70 70 s 1H \| 68 67 dd 1H J 22 90 \| 65 65 dt 1H J 8 20 \| 42 41 m 2H \| 35 34 t 1H J 56 \| 30 29 tt 1H J 69 81 \| 29 28 dd 1H J 82 161 \| 28 27 dd 1H J 8 136 \| 26 26 dd 1H J 81 161 \| 26 25 dd 1H J 9 135 \| 21 20 dd 1H J 69 131 \| 20 20 s 2H \| 18 17 dd 1H J 69 132 \| 17 16 m 1H \| 15 14 m 2H \| 14 13 m 3H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1nnn(-c2cc(O)c(Cl)cc2Cl)c1=O	ir: 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 1 1 1 1 0 1 1 1 1 0 1 1 1 2 2 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 2 2 0 0 0 0 0 2 4 2 3 2 0 1 1 1 0 0 0 0 1 2 1 4 1 1 4 27 2 1 1 1 0 1 7 0 0 0 1 1 1 0 4 1 0 0 0 0 0 0 1 0 0 1 1 1 1 0 1 2 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 5 3 0 1 0 0 0 1 1 0 0 1 3 2 0 0 1 1 36 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 4 8 2 1 0 0 0 0 1 100 41 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 s 1H \| 72 71 s 1H \| 70 70 s 1H \| 41 40 q 2H J 73 \| 14 13 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(CN(C)C(=O)OC)c2cc(F)ccc2n1Cc1cccc2ccc(F)cc12	ir: 13 7 10 8 5 13 8 10 10 7 5 5 3 2 5 5 5 2 1 9 2 2 2 1 1 1 4 6 3 2 2 1 1 1 1 2 1 1 1 1 1 2 1 3 14 2 1 0 1 2 1 0 1 6 6 55 3 4 2 2 3 5 4 1 1 2 6 21 13 31 3 4 2 4 1 8 4 4 1 0 6 10 3 3 1 1 1 1 1 1 2 1 1 4 4 1 1 4 6 5 6 5 5 11 6 12 4 2 3 2 2 4 2 3 2 3 2 8 12 3 13 9 6 4 5 2 1 3 3 5 7 6 2 3 1 7 3 2 3 6 3 1 0 3 3 8 17 4 11 56 100 3 42 12 5 1 1 18 6 1 1 1 2 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 0 1 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 0 1 0 0 1 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 1 1 0 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 2 2 5 2 1 1 2 2 3 5 11 16 21 47 37 14 8 4 2 1 2 1 1 2 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 0 0 1 1 1 1 0 1 1 0 1 1 0 0 1 1 1 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 79 78 ddd 2H J 27 84 126 \| 77 76 dd 1H J 28 122 \| 75 74 m 2H \| 74 73 dd 1H J 68 79 \| 73 73 ddd 1H J 9 16 69 \| 73 72 m 2H \| 58 58 d 2H J 9 \| 49 48 s 2H \| 44 43 q 2H J 64 \| 37 37 s 3H \| 31 30 s 3H \| 14 13 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccccc1F)c1cccc2c1NCC2	ir: 22 23 59 32 50 6 22 9 17 16 5 2 1 16 6 9 4 6 3 4 6 2 5 11 3 3 2 3 4 3 2 4 2 3 3 2 3 11 35 19 40 18 64 26 17 8 10 5 3 3 3 3 7 0 1 2 1 1 2 4 2 0 1 2 2 17 1 2 6 3 1 1 1 5 1 4 1 1 1 1 0 1 3 3 1 1 1 1 1 0 3 7 7 6 2 1 2 8 2 2 2 3 16 2 1 1 0 1 1 2 15 2 2 1 1 1 1 12 22 11 7 7 6 3 4 2 2 1 0 5 16 14 7 4 5 2 7 49 8 11 40 13 19 15 8 2 18 7 16 8 3 52 8 5 3 0 1 10 10 21 11 2 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 2 1 1 0 1 1 1 1 1 2 2 1 1 1 1 1 1 5 4 1 16 100 27 5 4 1 2 2 1 1 1 1 1 0 1 1 2 2 1 4 2 5 6 8 34 71 67 15 12 10 7 3 2 2 1 1 1 0 1 1 1 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 ddd 1H J 16 40 88 \| 76 75 dddd 1H J 17 40 79 86 \| 75 75 dd 1H J 11 82 \| 74 73 m 2H \| 73 72 m 1H \| 70 70 t 1H J 34 \| 66 65 t 1H J 82 \| 38 38 q 2H J 35 \| 31 31 td 2H J 9 35	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1nc2c(s1)C(F)(F)COc1ccc(Br)cc1-2	ir: 1 3 4 1 1 2 5 3 5 2 1 1 2 2 1 5 20 10 6 4 1 1 2 1 3 5 3 1 2 2 1 4 3 3 13 3 3 3 2 2 3 10 12 42 1 5 4 1 2 13 14 12 12 4 39 1 2 10 3 0 3 16 2 4 3 12 13 7 11 5 2 3 6 5 17 6 2 2 2 1 2 7 16 2 2 2 1 2 10 7 4 2 2 2 1 2 2 2 7 3 5 3 2 1 2 2 1 2 2 2 1 8 4 7 17 4 9 6 27 5 9 7 13 11 4 3 3 13 5 3 3 2 3 3 14 5 1 2 2 1 45 1 2 6 26 4 1 2 2 11 3 1 2 1 2 2 1 1 1 1 2 100 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 2 1 1 3 2 1 3 4 5 6 6 5 3 2 4 5 3 1 38 24 20 21 9 4 5 3 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 1 1 1 1 1 1; 1HNMR: 76 76 d 1H J 26 \| 74 74 dd 1H J 26 90 \| 70 69 d 1H J 89 \| 50 49 t 2H J 129 \| 44 43 q 2H J 64 \| 13 13 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(I)c1S(N)(=O)=O	ir: 16 25 35 10 7 3 1 2 5 3 3 7 4 3 1 13 13 5 3 4 4 3 2 4 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 3 4 29 30 5 1 3 8 5 1 2 5 2 0 2 4 2 1 5 27 6 4 5 5 2 1 4 5 5 3 4 7 5 2 8 9 12 31 43 44 43 100 56 33 21 20 14 13 6 7 8 5 4 3 5 5 2 4 8 6 1 4 7 5 2 2 5 4 1 3 6 8 38 85 20 30 11 6 6 4 1 3 5 3 1 3 4 1 1 3 4 2 2 5 21 15 2 5 5 1 7 6 4 3 2 4 3 1 2 4 12 6 6 8 5 0 2 4 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 0 2 3 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4 3 2 3 5 5 3 7 59 16 3 3 4 3 1 2 3 2 1 3 3 2 1 3 5 4 7 41 20 9 4 12 44 84 6 6 4 2 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 4 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 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 0; 1HNMR: 77 77 dd 1H J 12 76 \| 73 72 t 1H J 78 \| 71 70 dd 1H J 12 80 \| 60 60 s 2H \| 38 37 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOCc1nn2c(-c3ccc(F)cc3)cc(N3CCC[C@H]3CO)nc2c1-c1ccc(C)cc1	ir: 3 4 4 5 3 7 7 6 3 6 10 4 7 9 7 2 4 4 5 9 13 7 5 3 2 2 3 2 3 11 7 16 10 3 4 2 6 5 4 4 4 4 4 4 5 4 4 3 5 3 5 3 5 9 14 21 39 15 4 4 6 11 7 6 5 6 5 6 9 20 6 6 8 18 16 8 11 4 12 8 5 7 9 3 3 4 11 12 24 46 68 51 18 19 27 25 13 4 4 3 5 4 2 4 7 5 6 3 6 4 4 4 11 5 1 5 9 6 5 4 5 5 8 7 5 9 7 4 4 3 2 5 36 6 2 5 11 6 2 3 4 13 19 18 5 4 4 5 15 14 12 52 25 3 2 3 3 3 8 4 3 7 11 7 3 25 24 8 2 0 2 3 2 0 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 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 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 2 2 2 1 2 3 3 2 3 3 3 3 5 6 3 2 2 4 5 10 15 8 25 100 36 24 11 6 7 4 5 18 4 4 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 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 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 77 76 m 2H \| 76 75 m 2H \| 74 73 m 2H \| 71 71 m 3H \| 49 49 s 2H \| 40 39 ddddd 1H J 18 34 42 51 61 \| 39 38 ddd 1H J 42 61 106 \| 37 36 m 4H \| 35 34 m 2H \| 24 24 d 3H J 9 \| 21 19 m 2H \| 19 18 m 1H \| 18 17 ddt 1H J 52 76 124 \| 12 12 t 3H J 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-c2cc(=O)n(C)cn2)cc(C)c1I	ir: 17 10 7 3 2 2 1 2 2 2 6 8 5 3 2 3 3 2 2 5 5 1 1 4 2 1 1 2 5 7 2 2 2 10 9 2 3 24 14 45 4 5 5 2 3 5 6 5 4 0 1 2 1 0 1 3 1 0 1 5 7 7 17 57 33 58 40 59 21 24 17 7 8 9 5 13 7 12 3 2 1 2 1 2 2 2 13 3 1 1 2 1 1 1 1 1 2 5 2 5 4 2 2 2 5 13 12 6 5 2 2 2 1 2 2 2 5 8 8 5 2 9 11 8 11 8 6 6 8 5 10 6 12 14 12 2 4 10 10 3 4 2 60 62 10 2 2 2 1 1 1 1 2 7 8 2 4 7 7 43 100 22 5 8 32 42 5 3 2 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 2 2 2 2 2 2 3 5 3 3 3 7 13 9 8 27 33 55 23 23 9 10 5 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 q 1H J 11 \| 73 73 s 2H \| 63 62 s 1H \| 34 34 d 3H J 11 \| 24 23 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cn(Cc2ccccc2)c(=O)n(CC2(C(=O)O)CC2)c1=O	ir: 5 5 6 6 12 7 11 8 9 4 4 6 7 8 8 9 13 18 19 18 55 29 7 13 10 9 2 6 6 10 8 11 7 4 8 8 3 3 3 9 18 8 3 8 6 8 4 6 7 4 6 6 14 16 14 9 5 2 3 4 7 5 5 3 3 3 4 5 6 5 4 5 3 5 14 8 9 13 28 18 9 5 5 9 3 4 6 7 3 17 6 4 2 3 14 14 10 4 7 7 2 3 4 4 3 8 7 5 4 5 5 5 5 6 5 3 1 3 4 4 4 5 3 10 16 21 8 12 5 5 4 4 2 5 11 6 11 4 6 6 7 4 9 9 30 12 10 5 10 19 18 16 100 40 8 0 2 5 4 0 3 7 8 5 3 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 2 2 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 4 4 4 2 4 4 6 9 7 8 7 9 13 38 17 9 11 15 5 4 4 6 20 14 8 4 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 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 74 72 m 5H \| 71 71 dq 1H J 13 23 \| 49 49 q 2H J 9 \| 42 41 s 2H \| 19 18 d 3H J 15 \| 14 13 m 2H \| 11 11 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(N2CCNCC2)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1	ir: 7 4 5 3 4 5 19 11 12 6 9 8 11 5 5 7 10 5 5 7 2 6 3 5 3 5 4 5 8 6 6 10 3 12 4 8 7 6 17 27 32 16 9 5 4 1 4 5 3 6 9 14 27 36 33 34 12 10 7 10 5 12 4 13 4 7 6 10 20 4 4 4 15 13 8 4 3 3 2 1 1 7 5 3 2 2 4 3 8 39 10 8 14 16 22 6 3 6 4 8 9 15 12 4 6 31 57 64 29 53 25 78 100 24 48 25 31 13 10 14 7 12 10 8 16 5 14 5 10 5 6 6 9 9 4 3 3 1 1 2 2 5 2 2 1 1 1 2 2 1 3 9 16 6 24 7 7 3 1 2 1 1 3 7 52 7 11 5 9 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 2 3 2 3 2 3 3 3 3 5 6 11 16 23 15 9 7 11 16 14 46 60 34 11 48 15 42 78 5 3 1 2 4 2 3 12 67 6 2 4 4 5 3 12 19 10 6 6 10 51 8 2 3 2 3 2 1 3 1 0 1 1 1 0 1 1 1 0 1 1 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 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 90 90 s 1H \| 81 80 d 1H J 57 \| 72 72 d 1H J 86 \| 68 67 dd 1H J 21 87 \| 67 67 d 1H J 82 \| 65 64 d 1H J 22 \| 39 39 s 2H \| 35 34 dp 1H J 51 82 \| 33 33 m 4H \| 30 29 m 4H \| 20 19 p 1H J 33 \| 19 18 dddd 2H J 51 59 84 134 \| 17 14 m 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)CCN1CCOC(c2ccc(OCc3ccccc3)cc2)C1	ir: 5 1 4 2 5 4 2 4 4 7 10 4 5 3 2 3 9 1 5 3 1 5 5 3 4 5 5 5 4 10 21 6 4 5 17 5 5 11 12 20 14 20 6 2 1 1 2 3 2 2 3 2 14 6 16 11 10 10 2 4 2 3 9 3 4 8 8 6 10 17 9 2 2 1 3 7 3 4 5 4 11 22 5 0 3 5 10 10 13 11 2 2 4 3 3 4 7 12 6 5 2 4 8 4 3 6 8 2 1 1 2 1 5 5 6 5 6 6 7 10 7 11 7 4 7 3 6 10 4 8 12 13 8 9 2 9 3 2 3 3 4 3 4 28 12 24 11 10 11 16 3 2 3 2 2 1 1 1 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 2 4 1 2 4 6 2 1 3 1 2 4 4 9 24 24 19 100 25 17 8 4 2 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 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 67 \| 74 73 m 2H \| 73 73 m 1H \| 73 72 m 2H \| 69 69 m 2H \| 51 50 m 3H \| 40 39 ddd 1H J 33 59 102 \| 39 38 ddd 1H J 33 59 102 \| 33 33 dd 1H J 35 123 \| 31 31 dd 1H J 34 122 \| 30 29 m 2H \| 29 28 ddd 1H J 35 60 126 \| 27 26 ddd 1H J 35 60 126 \| 26 25 t 2H J 65 \| 14 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1csc2nc(C(C)N)c(-c3cscn3)c(=O)n12	ir: 2 3 1 3 2 1 5 4 3 2 3 2 4 2 2 1 1 1 0 1 1 1 1 1 1 2 1 1 1 0 1 1 1 3 1 1 1 0 1 3 1 1 1 1 1 0 4 3 8 4 2 0 7 4 3 4 20 29 20 29 7 2 2 9 2 1 2 21 6 7 6 2 8 4 3 12 27 5 1 3 2 1 2 2 3 6 8 2 2 1 1 1 1 1 4 6 0 1 2 5 1 1 1 3 2 9 7 2 4 2 3 2 1 1 1 1 2 1 2 4 2 2 1 2 2 3 6 2 2 2 4 7 8 31 41 4 14 10 1 1 4 4 1 0 0 0 2 0 1 0 1 0 1 16 1 0 0 0 25 1 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 1 2 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 5 14 6 1 1 1 1 1 1 1 1 2 4 17 17 6 9 2 3 2 2 100 27 3 4 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 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; 1HNMR: 91 91 d 1H J 16 \| 74 74 d 1H J 16 \| 58 57 q 1H J 15 \| 44 44 q 1H J 59 \| 32 32 d 2H J 60 \| 23 23 d 3H J 14 \| 15 15 d 3H J 57	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2cc(-c3nc4cc(C(F)(F)F)ccc4o3)ccc2n1C1CCOCC1	ir: 6 24 22 9 3 9 12 6 3 9 12 20 0 10 14 20 11 10 20 8 4 10 11 14 28 48 59 10 7 11 15 3 4 9 8 4 7 30 13 2 5 12 8 4 7 14 18 2 5 20 8 5 22 48 14 92 8 15 9 0 10 19 64 6 8 14 24 18 70 26 11 11 9 13 28 16 38 13 7 7 10 10 4 5 9 9 4 4 11 31 4 4 11 13 2 5 10 12 10 30 20 10 2 9 15 22 39 17 16 27 4 46 91 16 12 11 18 12 49 14 65 40 31 8 15 15 11 44 12 27 47 11 9 5 7 10 25 7 8 28 70 6 15 37 13 4 3 14 30 4 19 11 10 27 14 14 9 3 5 9 6 2 5 13 6 4 6 10 6 2 7 10 5 1 6 10 5 2 6 10 6 2 6 9 5 2 7 9 4 3 7 9 5 3 9 9 4 4 8 8 3 3 8 7 3 4 8 7 3 4 8 7 3 5 9 6 2 5 9 6 2 5 9 6 2 5 10 6 1 6 9 5 2 6 9 5 2 6 9 5 2 7 8 5 3 7 8 4 3 7 8 4 3 7 8 4 3 8 8 4 4 8 7 3 4 8 7 3 5 9 12 6 7 11 10 11 10 17 14 5 11 11 16 13 28 55 73 85 100 44 22 5 12 12 6 4 8 9 5 4 7 9 5 3 7 8 5 4 7 8 4 4 7 7 4 4 7 7 4 4 8 7 3 4 8 7 3 5 8 6 3 5 8 6 3 5 9 6 3 5 9 6 2 6 9 5 3 6 8 5 3 6 8 5 3 6 8 5 3 6 8 4 4 7 7 4 4 7 7 4 4 7 7 4 4 7 7 4 4 7 7 3 5 8 6 3 5 8 6 3 5 8 6 3 5 8 6 3 6 8; 1HNMR: 82 81 d 1H J 21 \| 81 80 dd 1H J 22 84 \| 80 79 dt 1H J 9 18 \| 78 77 m 1H \| 76 76 d 1H J 84 \| 76 75 d 1H J 114 \| 44 43 p 1H J 42 \| 38 37 ddd 2H J 30 57 106 \| 36 36 ddd 2H J 30 57 104 \| 24 24 s 2H \| 23 22 dddd 2H J 30 43 59 129 \| 20 19 dddd 2H J 31 42 57 129	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCN(CC)CCCCO	ir: 2 3 3 4 6 5 4 9 5 6 4 3 6 3 4 5 12 9 3 2 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 3 3 5 6 2 2 3 4 2 2 3 3 1 8 2 6 6 2 4 3 5 2 1 3 2 6 6 5 6 5 3 4 4 2 5 13 7 6 3 2 5 4 3 5 13 30 15 62 83 74 100 30 44 29 29 11 12 34 7 3 7 6 9 3 7 8 4 2 6 9 13 16 9 16 5 10 7 14 5 7 13 6 9 8 7 4 3 4 3 2 2 5 4 2 5 9 4 3 3 2 3 2 2 6 4 2 2 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 1 2 2 2 5 6 3 5 12 4 7 5 4 12 11 4 7 12 27 9 6 7 3 1 5 4 6 7 11 23 13 4 6 4 3 4 1 1 2 2 2 2 3 2 3 3 1 3 1 1 2 1 1 1 1 2 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 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; 1HNMR: 36 35 m 2H \| 29 29 t 1H J 59 \| 26 25 q 2H J 71 \| 25 24 m 4H \| 16 15 m 4H \| 15 14 m 2H \| 14 12 m 8H \| 11 10 t 3H J 70 \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1[C@@H](O)CCN1Cc1ccc(Cl)cc1	ir: 3 6 13 5 9 5 3 2 8 6 3 3 4 11 4 5 11 32 4 2 5 2 2 1 1 2 6 3 5 3 2 1 1 2 5 2 1 3 8 9 3 2 2 0 1 6 2 2 3 2 1 1 4 3 11 8 10 2 2 1 2 2 2 1 1 2 1 2 7 4 1 1 1 2 3 1 2 2 1 1 2 4 3 6 6 9 25 100 10 7 4 3 14 9 6 11 8 11 9 13 26 13 0 1 2 2 9 3 2 1 1 1 2 4 2 1 1 3 9 6 6 4 3 4 4 1 2 2 1 1 1 2 4 3 1 1 1 1 1 1 1 1 1 2 2 2 39 11 21 20 2 4 13 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 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 2 2 4 4 2 1 2 3 3 8 9 46 19 17 35 1 9 11 3 1 7 42 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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; 1HNMR: 74 73 m 4H \| 46 46 dt 1H J 8 126 \| 45 44 dt 1H J 8 126 \| 44 44 dddd 1H J 18 29 48 56 \| 44 43 d 1H J 54 \| 35 34 ddd 1H J 58 76 120 \| 34 33 dddd 1H J 17 58 75 119 \| 24 23 dddd 1H J 29 57 76 128 \| 21 20 dddd 1H J 48 57 76 126	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(-c2ccc(C3CCC(=O)N3)cc2)cc1	ir: 2 2 7 2 3 7 16 3 2 25 3 5 9 5 6 5 3 7 17 6 5 20 19 14 9 16 7 5 5 5 7 3 4 18 4 10 1 2 10 2 3 2 1 2 2 2 1 2 3 9 7 6 4 18 94 13 5 3 8 3 3 1 1 2 2 4 5 5 2 11 4 2 2 2 2 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 4 15 3 2 1 1 1 2 5 4 2 1 1 1 1 1 2 1 2 1 1 3 5 10 16 2 3 5 3 2 2 4 7 5 7 13 3 4 5 1 2 3 10 16 4 2 1 1 1 1 2 1 2 29 14 9 3 2 6 4 3 10 65 100 75 3 5 7 2 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 4 4 1 2 3 1 2 8 16 23 32 70 18 7 5 3 2 2 2 2 2 1 1 1 1 1 2 1 1 1 3 3 11 26 27 31 23 24 17 7 2 1 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0; 1HNMR: 79 79 m 2H \| 79 78 m 2H \| 76 75 m 2H \| 74 73 m 2H \| 68 67 d 1H J 62 \| 51 51 m 1H \| 24 23 m 1H \| 23 22 m 2H \| 20 20 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1=CNC(=S)NC1c1ccccc1	ir: 1 0 1 1 5 3 0 1 1 4 2 2 8 8 7 2 3 21 10 3 0 1 1 1 1 2 1 9 16 3 3 11 30 18 100 68 10 0 2 5 9 12 7 1 1 2 2 4 3 1 1 1 1 0 0 1 0 0 1 1 1 1 6 1 3 1 1 3 2 1 1 1 1 2 7 1 1 3 4 8 1 1 0 1 1 3 1 1 7 3 1 1 1 1 1 1 2 1 2 1 1 0 0 1 0 0 1 1 1 1 17 3 2 4 6 6 4 1 2 6 1 1 1 1 1 1 0 1 1 2 1 1 1 1 2 5 1 1 2 6 30 4 11 62 45 44 5 8 28 9 1 2 5 2 1 0 0 1 1 1 1 4 2 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 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 1 1 0 0 0 1 0 1 1 1 1 1 1 2 0 2 9 5 0 6 30 20 4 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 2 7 12 4 3 16 54 20 3 2 1 1 1 0 1 1 0 1 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 dd 1H J 17 54 \| 77 77 d 1H J 68 \| 74 73 m 6H \| 55 54 m 1H \| 43 42 q 2H J 71 \| 12 12 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(CCCN)C(=O)OC(C)(C)C	ir: 1 2 1 3 4 1 2 1 1 6 2 7 1 2 1 1 2 3 2 1 1 1 0 1 2 0 0 1 1 1 1 0 0 1 1 1 1 1 1 1 3 2 1 1 2 2 2 2 1 4 2 9 17 7 6 8 8 7 2 1 2 2 2 7 2 1 2 1 2 7 7 7 3 32 19 2 2 1 2 1 2 2 4 3 2 2 1 1 2 1 1 1 0 1 1 1 1 2 0 1 2 1 1 3 1 0 1 1 1 1 2 1 3 1 0 1 2 1 2 3 1 4 3 5 3 3 1 4 11 14 5 6 8 9 8 11 8 16 4 1 1 1 1 1 1 1 1 1 0 1 12 25 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 3 2 1 1 1 2 1 1 2 5 10 2 1 0 1 1 1 1 1 1 0 1 2 2 1 1 5 13 11 7 12 6 3 0 6 100 91 5 0 5 4 2 2 1 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 0 1 0 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; 1HNMR: 32 32 t 2H J 58 \| 29 29 s 3H \| 28 28 m 2H \| 27 26 t 2H J 64 \| 18 17 p 2H J 55 \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2cc(OCCBr)ccc2c1	ir: 1 2 2 1 1 2 3 2 4 2 19 10 15 3 3 1 1 2 2 1 1 2 3 2 2 3 3 2 2 4 2 1 1 3 3 1 1 2 2 1 1 2 1 0 1 2 2 0 1 4 4 4 22 62 61 9 5 0 1 3 1 2 6 16 10 6 17 21 46 23 15 3 3 2 2 1 2 2 2 1 1 1 1 1 1 1 1 2 3 2 3 1 3 4 2 2 12 8 3 2 2 4 2 12 12 10 3 2 2 1 1 4 3 2 1 3 4 2 3 3 3 1 1 3 3 3 1 2 3 1 1 1 2 1 1 1 2 1 1 2 2 1 1 3 6 6 3 2 2 1 1 3 2 0 2 13 43 64 7 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 5 2 2 2 2 2 3 3 18 17 12 27 100 87 11 12 4 3 2 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 m 2H \| 72 71 t 1H J 24 \| 71 70 dd 1H J 24 90 \| 70 69 m 2H \| 44 44 t 2H J 35 \| 38 38 s 3H \| 38 37 t 2H J 35	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)ccc1OCCC(C)(C)O	ir: 4 2 13 10 4 4 2 6 9 5 4 7 1 3 2 2 1 2 2 2 1 2 2 2 1 2 1 1 1 1 1 1 1 1 1 3 1 1 1 2 2 0 31 22 3 5 5 3 1 2 2 1 5 10 12 5 7 4 1 1 2 1 2 1 2 3 1 7 8 6 1 1 2 3 2 1 1 2 1 1 3 4 15 10 2 2 1 2 5 2 3 8 3 2 2 3 3 4 2 2 3 2 2 2 2 5 12 13 2 2 1 1 0 2 3 2 1 2 2 2 3 3 4 3 3 2 3 4 1 2 2 2 2 2 2 1 0 1 1 1 1 5 12 8 33 10 7 4 3 5 5 6 6 2 7 6 2 1 1 1 3 1 1 36 3 0 1 1 1 0 1 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 0 0 0 1 0 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 2 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 2 2 4 6 6 11 14 16 21 6 4 22 100 40 19 2 0 2 2 1 1 1 2 1 0 1 1 1 2 4 17 13 11 23 3 2 1 2 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 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 77 77 dd 1H J 16 73 \| 76 75 m 2H \| 74 73 m 5H \| 70 70 d 1H J 21 \| 68 68 d 1H J 89 \| 41 41 t 2H J 70 \| 39 39 s 3H \| 33 33 s 1H \| 20 19 t 2H J 69 \| 13 12 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@](N)(CS)C(=O)O	ir: 2 1 2 1 2 2 3 2 1 2 3 7 4 5 3 5 2 5 7 6 18 97 100 52 9 3 3 7 3 1 2 6 4 1 2 2 2 2 3 3 2 1 1 4 2 1 13 6 10 2 2 2 2 1 2 4 9 10 7 10 2 1 3 4 3 1 2 4 5 14 26 11 5 3 4 2 7 12 14 9 6 6 5 6 5 10 9 15 20 12 5 2 1 1 3 2 3 3 3 4 2 3 4 3 1 2 2 1 1 1 3 2 1 2 3 2 1 2 4 3 1 5 9 9 8 2 2 5 4 10 7 8 10 10 12 4 4 2 1 2 3 2 2 21 22 22 7 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 1 2 1 1 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 3 3 9 12 0 2 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 2 1 2 3 2 2 2 2 2 5 5 3 4 1 1 1 1 1 1 2 2 1 0 23 34 23 21 7 34 26 46 13 2 2 6 22 46 18 9 1 0 2 2 0 0 2 2 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 47 47 s 2H \| 31 30 dd 1H J 70 128 \| 29 28 dd 1H J 70 128 \| 17 16 t 1H J 69 \| 15 15 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CCCC(C)C1=O	ir: 1 5 6 1 2 2 11 13 2 1 1 3 12 7 3 1 2 2 37 41 2 2 1 1 0 3 7 1 2 1 0 1 1 3 1 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 3 1 1 16 7 3 0 1 1 1 5 5 9 1 5 19 3 1 1 1 1 5 1 6 4 3 6 3 1 1 0 1 1 1 0 1 1 0 1 2 3 2 4 4 2 1 1 2 2 2 3 5 7 8 9 19 28 6 8 1 3 7 8 2 4 11 13 6 15 22 20 21 4 6 4 7 9 4 5 3 4 5 14 2 2 1 2 2 3 4 4 5 37 100 26 4 1 1 2 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 1 1 2 2 3 4 4 3 7 5 4 8 12 5 13 16 21 12 31 62 7 3 3 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 26 25 dtd 2H J 55 64 119 \| 18 16 m 3H \| 16 15 m 1H \| 15 14 ddt 2H J 56 86 125 \| 10 10 d 5H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)NCc1ccc(F)cc1	ir: 0 1 1 1 0 1 4 1 6 4 3 2 3 1 20 7 2 5 1 13 4 1 3 3 13 7 41 29 75 20 9 6 2 5 2 4 6 4 2 0 1 1 1 1 1 2 2 3 4 8 3 8 13 4 20 91 16 10 2 2 1 2 1 0 1 1 1 1 8 20 6 2 2 2 1 1 1 3 1 1 1 1 1 1 1 2 8 1 2 2 2 1 1 2 1 1 59 4 5 5 3 2 0 1 1 1 0 1 1 1 1 1 1 1 1 2 4 3 7 4 9 2 4 10 18 7 2 3 2 1 1 1 1 1 1 1 1 1 1 3 1 10 17 67 53 94 27 28 15 9 4 5 6 2 1 1 1 0 1 1 1 3 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 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 1 1 4 0 1 1 2 2 1 1 1 2 2 3 3 3 14 6 21 100 8 8 4 3 3 2 1 1 1 1 1 1 1 1 1 1 2 5 7 10 5 12 22 29 17 45 7 6 3 2 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 74 73 ddt 2H J 8 34 79 \| 72 71 m 2H \| 70 69 t 1H J 59 \| 44 44 dt 2H J 9 60 \| 20 20 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(F)c(N2CCC(NC(=O)OC(C)(C)C)C2)c(Cl)c1F	ir: 6 6 9 8 8 3 9 4 2 6 6 3 0 5 4 3 4 4 5 3 1 4 6 0 2 18 74 57 93 24 13 14 6 5 7 5 5 9 5 3 2 6 2 2 1 2 2 2 1 2 1 1 2 3 3 1 3 2 2 1 3 14 4 14 10 4 5 32 24 6 2 1 6 4 6 2 2 2 1 2 2 2 1 1 2 2 1 2 3 5 4 7 4 4 3 3 6 6 5 5 14 4 7 8 9 5 2 7 12 7 7 9 23 8 8 8 2 6 10 5 4 8 14 8 6 7 11 18 19 17 16 4 5 2 1 3 16 18 2 2 3 1 3 12 28 100 32 8 21 40 63 14 6 18 14 1 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 2 1 1 1 3 4 3 1 3 2 0 5 4 2 2 5 6 7 18 31 6 5 9 15 9 4 0 1 1 1 1 1 2 1 2 3 3 1 1 1 1 1 1 3 7 12 17 17 23 8 5 4 3 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 76 75 dd 1H J 48 121 \| 44 43 m 3H \| 43 42 dddd 1H J 25 32 57 66 \| 40 40 m 1H \| 37 36 m 2H \| 35 35 ddd 1H J 53 72 124 \| 21 20 m 1H \| 18 17 dddd 1H J 33 51 68 124 \| 14 14 m 11H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc2c(s1)c(C1CCCCC1)c(-c1ccccc1)n2Cc1ccccc1	ir: 14 19 7 5 7 5 3 13 13 8 5 4 4 4 5 6 4 4 5 6 5 4 8 13 4 4 6 5 5 5 5 5 9 30 8 9 10 8 13 20 27 7 20 10 7 12 17 50 27 11 7 5 5 5 7 5 6 5 6 6 4 3 4 7 4 4 5 12 16 10 5 6 4 5 5 4 6 7 8 6 10 10 8 28 23 3 6 6 0 23 6 7 6 7 6 9 4 10 9 4 4 4 5 5 3 5 8 10 5 7 13 26 15 17 11 14 6 11 9 9 5 7 9 11 8 6 7 7 22 8 7 15 6 7 19 28 11 13 8 4 6 4 19 65 21 11 11 17 6 6 5 10 10 6 5 3 5 39 5 4 4 5 4 3 4 5 4 3 4 4 4 3 4 4 4 5 4 5 3 3 4 4 3 3 4 4 3 3 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 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 4 4 4 4 3 3 4 4 3 4 4 4 4 4 5 4 4 4 5 6 7 11 11 7 6 10 7 7 10 8 33 31 21 45 100 57 42 11 9 5 5 5 17 23 8 6 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 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 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; 1HNMR: 76 76 s 1H \| 75 74 m 2H \| 74 73 m 3H \| 73 72 m 2H \| 73 73 s 3H \| 58 58 s 2H \| 28 28 p 1H J 48 \| 20 19 dddd 2H J 49 63 78 128 \| 17 14 m 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CN2CCC3(CCN(C[C@H]4CNC[C@@H]4c4ccccc4)CC3)C2=O)cc1	ir: 2 2 5 2 1 3 2 1 2 3 2 4 2 5 6 2 2 7 4 6 6 5 6 4 0 5 3 1 3 10 26 19 5 5 7 7 8 18 18 9 8 33 5 6 5 8 4 6 3 2 3 3 2 5 14 15 14 16 20 27 24 11 14 16 5 13 4 9 9 25 6 1 5 6 3 3 3 2 5 12 5 8 10 14 10 3 10 19 10 7 7 8 3 3 1 3 7 8 12 5 5 7 9 6 7 4 18 19 15 26 19 20 9 31 22 11 17 11 4 4 15 7 2 5 5 7 2 6 4 3 2 5 14 6 3 17 10 2 3 3 2 1 3 11 15 6 6 55 100 29 8 5 3 4 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 1 1 1 0 1 1 2 1 2 2 3 4 3 2 2 3 1 4 4 6 19 9 29 65 37 11 5 2 2 3 1 1 2 1 1 0 1 1 1 1 1 3 12 14 7 4 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; 1HNMR: 73 72 m 3H \| 72 72 m 4H \| 68 68 m 2H \| 45 45 d 2H J 9 \| 38 38 s 2H \| 33 33 m 2H \| 32 31 m 2H \| 30 29 dddd 1H J 20 36 45 126 \| 29 29 m 2H \| 28 27 ddd 2H J 41 69 125 \| 27 26 m 3H \| 25 24 m 2H \| 23 22 m 1H \| 22 21 ddd 2H J 42 69 128 \| 20 19 m 2H \| 19 18 ddd 2H J 42 69 128	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCS(=O)(=O)n1ccc(N)n1	ir: 5 7 10 9 11 4 3 5 3 4 4 7 9 17 58 19 11 4 7 4 4 5 3 3 4 2 3 2 2 2 2 2 2 2 3 5 3 3 3 3 3 2 3 4 2 2 3 2 2 9 34 23 10 1 3 3 2 2 5 3 2 2 2 2 2 7 14 11 30 9 4 5 3 2 2 2 2 6 4 2 1 1 2 2 2 13 13 9 5 3 2 8 3 4 0 22 34 9 4 2 2 2 2 2 3 7 9 14 4 2 3 2 1 2 1 1 5 4 5 3 5 2 2 2 2 2 2 2 2 3 4 2 1 2 2 2 2 2 2 13 16 4 2 2 3 3 2 2 6 4 15 12 12 7 4 11 13 18 8 1 2 3 2 1 2 2 1 2 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 2 2 2 2 2 2 4 3 2 3 2 3 3 2 10 5 6 5 3 10 6 7 3 6 6 4 1 2 2 2 2 2 2 2 3 6 9 36 1 2 2 2 2 3 3 2 1 8 100 63 10 1 3 2 2 1 2 2 2 2 2 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 74 d 1H J 37 \| 59 58 d 1H J 37 \| 50 50 s 2H \| 34 33 q 2H J 92 \| 15 15 t 3H J 93	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=S)c1cnn(C2CCCCC2)c1-c1ccc(F)cc1	ir: 2 6 5 2 0 2 3 2 1 2 3 3 2 3 3 1 0 3 4 2 1 5 20 10 10 9 1 2 2 3 3 2 37 3 3 3 3 5 3 2 2 3 2 1 2 2 2 1 1 2 4 2 3 4 3 38 16 5 3 1 2 2 2 1 2 2 2 1 6 4 1 1 2 3 2 2 2 2 2 1 2 2 1 3 2 4 4 2 2 3 5 2 4 3 1 1 4 5 2 4 3 3 1 1 3 2 1 2 3 2 1 4 17 3 5 4 5 4 7 3 4 2 2 8 6 3 3 3 3 2 1 2 2 1 2 2 2 1 1 6 3 1 2 2 4 15 5 3 3 2 2 13 3 1 3 9 3 0 72 6 2 2 3 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 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 2 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 2 3 2 2 3 3 2 2 2 3 4 4 11 9 6 30 7 5 2 2 2 3 2 1 2 3 2 1 2 3 1 1 3 100 2 2 2 2 2 2 2 3 3 3 2 4 40 7 3 3 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 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; 1HNMR: 81 81 s 2H \| 80 79 s 1H \| 76 76 m 2H \| 72 71 m 2H \| 47 47 p 1H J 37 \| 21 20 dddd 2H J 37 53 79 139 \| 18 17 m 4H \| 16 15 m 2H \| 16 14 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C(=O)OC(C)(C)C)c1cc(NN)ncn1	ir: 10 10 11 13 14 13 11 12 11 15 12 13 10 11 14 21 18 16 12 10 18 12 12 10 12 13 10 11 11 10 11 11 10 9 11 16 19 20 12 11 10 10 9 10 10 10 10 13 11 10 10 10 10 11 11 12 21 17 31 24 16 13 16 13 31 24 30 12 12 10 10 10 9 9 10 10 10 10 10 11 9 10 14 15 13 12 12 11 11 10 11 11 10 9 10 10 10 19 13 10 10 9 11 11 10 9 9 9 9 10 10 9 10 12 10 11 9 10 10 10 10 10 9 10 10 10 10 12 19 16 15 12 13 13 35 16 10 17 10 11 11 0 51 100 9 12 12 11 13 12 25 11 17 10 10 9 9 10 10 9 14 69 19 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 9 10 10 10 9 9 10 10 9 9 10 10 9 10 12 11 10 11 12 13 11 10 10 10 9 9 10 9 9 9 10 11 14 15 15 11 10 10 10 10 12 16 22 18 21 12 11 10 10 10 10 9 9 10 9 9 9 10 10 9 9 9 9 9 9 9 9 9 9 10 9 9 9 10 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9; 1HNMR: 83 82 d 1H J 14 \| 77 77 t 1H J 38 \| 56 56 d 1H J 16 \| 50 49 d 2H J 38 \| 34 34 s 3H \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C[C@H](CN(C)C(=O)OC(C)(C)C)c1ccc(Cl)c(F)c1	ir: 17 7 6 12 2 7 5 5 10 4 12 30 14 4 4 10 6 4 2 5 12 13 3 2 2 2 2 1 2 3 3 1 2 1 2 2 1 2 4 4 1 1 1 1 1 3 3 1 2 2 3 1 4 10 12 31 3 2 2 4 2 4 11 7 8 7 14 15 8 7 2 0 1 2 1 4 2 1 1 1 2 4 6 3 1 1 1 1 2 4 4 3 1 20 5 3 3 3 1 6 7 6 4 5 7 3 3 3 3 5 15 10 8 3 6 2 4 4 6 7 11 9 9 13 6 9 23 11 10 17 15 25 12 3 5 3 2 4 3 5 3 2 4 24 24 9 3 3 16 7 56 100 3 7 2 1 1 1 1 1 1 7 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 0 1 1 1 0 1 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 3 2 2 5 2 3 3 2 3 4 6 6 14 22 16 16 27 22 7 8 3 3 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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; 1HNMR: 74 74 dd 1H J 48 95 \| 71 70 m 2H \| 38 37 dd 1H J 61 121 \| 36 34 m 2H \| 36 35 s 4H \| 30 30 s 3H \| 29 29 dd 1H J 81 167 \| 27 26 dd 1H J 81 167 \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(N[C@H]2CCN(Cc3cccs3)C2)cc1Cl	ir: 7 8 8 7 4 7 9 10 4 19 10 4 7 3 6 5 11 40 12 14 8 8 7 3 3 7 6 2 1 5 7 6 3 6 6 2 3 12 10 22 100 8 8 3 3 3 5 3 3 4 3 3 5 6 12 18 11 10 4 1 3 4 4 4 4 5 16 25 10 11 1 3 19 8 5 0 7 8 4 3 11 32 8 15 6 5 3 3 8 18 2 2 4 3 2 5 7 11 6 3 4 3 5 5 7 9 21 12 11 7 5 9 8 9 14 3 6 3 1 4 5 3 3 5 14 5 2 5 4 9 10 9 39 4 1 3 5 2 1 8 9 13 67 47 30 3 5 3 8 4 26 6 6 30 10 7 4 1 1 4 5 23 71 4 2 1 2 3 2 0 2 4 2 0 2 4 2 0 2 4 1 1 16 4 1 1 2 3 1 0 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 0 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 3 4 3 4 3 3 3 1 3 4 4 4 10 7 17 29 25 34 63 16 12 8 4 2 3 3 2 2 3 4 2 2 3 3 5 5 8 8 18 65 82 54 9 9 9 3 1 2 4 3 2 1 5 4 1 1 5 4 1 3 5 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 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3; 1HNMR: 76 76 d 1H J 88 \| 72 72 dd 1H J 17 52 \| 70 70 m 2H \| 70 69 dd 1H J 53 64 \| 67 67 dd 1H J 22 88 \| 46 46 d 1H J 80 \| 39 38 dddt 1H J 11 22 43 83 \| 39 37 m 2H \| 30 30 m 1H \| 29 28 ddd 1H J 47 67 123 \| 28 28 m 1H \| 27 26 dddd 1H J 18 47 67 130 \| 22 21 m 1H \| 20 19 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(N2CCCN(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1-n1cnc(C)c1	ir: 4 3 2 4 2 2 3 2 2 2 2 2 2 3 3 3 2 1 1 2 2 5 2 2 2 2 2 2 1 2 2 2 3 2 8 5 7 2 3 2 2 1 4 3 2 1 1 3 3 1 1 2 3 16 46 15 6 1 7 2 2 0 1 3 3 4 10 16 13 4 3 3 4 1 5 4 2 2 2 3 3 1 2 3 2 2 5 4 2 4 9 4 13 5 6 2 3 6 20 6 4 7 2 7 9 2 2 2 1 2 4 2 14 6 3 3 1 5 4 2 3 6 4 7 3 10 6 2 2 3 3 1 1 2 2 3 6 3 2 1 1 2 2 13 1 2 2 2 39 14 9 2 4 2 4 2 1 1 1 1 2 2 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 2 2 2 1 4 5 5 2 2 3 3 3 3 14 28 9 12 100 49 22 5 8 2 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 d 1H J 16 \| 77 76 d 1H J 76 \| 75 74 m 1H \| 74 74 dt 1H J 9 21 \| 74 73 d 1H J 81 \| 73 72 m 2H \| 69 68 d 1H J 21 \| 46 46 t 2H J 8 \| 39 38 m 5H \| 35 35 m 2H \| 23 23 d 3H J 7 \| 20 19 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CCCOc2c(Nc3ncc(Cl)c(Nc4ccccc4OCC#N)n3)cccc21	ir: 2 2 5 2 2 3 1 4 1 3 2 4 5 2 1 3 1 3 10 12 2 10 8 3 2 14 9 11 3 22 5 9 5 10 2 5 3 2 5 11 7 3 11 17 5 6 4 0 18 11 4 0 5 14 61 2 100 0 8 11 5 2 3 3 2 5 5 11 6 4 5 6 4 4 11 4 2 1 3 2 2 1 2 4 10 14 2 2 2 3 3 3 3 2 2 5 1 2 2 8 5 4 3 2 0 4 11 4 2 2 2 2 9 4 2 3 8 6 1 3 3 3 6 7 8 3 1 1 2 2 2 1 2 1 6 3 14 10 16 7 4 4 15 8 4 18 4 6 8 5 45 31 13 39 12 21 81 17 8 6 7 18 7 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 2 6 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 2 2 3 10 10 10 14 50 5 7 5 5 2 2 2 2 2 1 1 2 1 1 1 2 1 2 2 6 3 20 20 57 35 60 43 8 5 4 2 2 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 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; 1HNMR: 89 88 s 1H \| 85 85 s 1H \| 77 76 s 1H \| 76 76 dd 1H J 13 77 \| 74 74 dd 1H J 20 66 \| 72 71 td 1H J 13 79 \| 71 70 m 3H \| 69 69 dd 1H J 12 82 \| 49 49 s 2H \| 41 40 m 2H \| 19 18 m 5H \| 14 13 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nn1ccnc1-c1ccccc1	ir: 6 8 3 11 5 7 6 2 5 9 3 5 2 4 4 7 2 14 13 13 16 8 8 3 5 5 3 5 5 12 6 10 12 3 7 6 2 7 4 4 36 33 34 3 10 8 4 4 3 2 2 2 3 1 3 1 1 3 2 1 2 2 1 0 1 1 1 4 5 5 1 3 1 1 2 1 2 2 4 2 2 2 2 2 2 17 7 5 7 7 19 13 3 7 7 1 1 1 1 1 2 1 1 2 2 5 2 2 1 1 1 1 1 1 1 0 1 0 1 2 1 2 2 1 2 2 1 2 2 1 5 5 6 11 18 8 5 16 22 38 30 12 14 10 16 15 21 8 17 15 5 14 19 14 15 21 18 10 3 3 3 1 1 1 1 0 1 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 1 1 1 1 1 1 1 1 1 2 1 3 3 5 4 8 20 33 30 20 16 20 6 10 1 2 2 3 1 1 2 2 2 4 3 5 67 64 20 4 3 3 1 1 1 3 1 10 99 57 100 7 2 1 2 1 0 0 1 1 1 1 0 1 0 0 1 1 1 1 1 1 1 0 0 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 m 2H \| 75 75 m 4H \| 73 73 d 1H J 40 \| 60 60 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCNC(=O)CCC(=O)c1ccccc1	ir: 1 2 1 3 2 1 1 1 1 3 4 2 1 2 2 1 2 2 3 4 5 8 6 9 13 10 15 30 30 15 6 58 47 17 12 7 6 3 5 6 41 26 7 8 3 30 18 7 5 3 2 0 3 4 2 2 2 3 1 0 1 2 3 1 2 5 1 4 4 6 2 2 5 4 2 4 2 1 5 7 2 1 0 1 1 1 0 0 1 1 1 1 1 2 1 3 2 3 1 1 1 1 0 1 2 2 3 7 4 4 3 14 2 10 8 17 17 16 12 15 16 14 13 16 11 18 13 5 6 4 3 5 5 9 12 22 20 5 4 13 18 71 61 43 23 86 42 100 40 11 4 5 3 3 1 1 1 1 1 1 2 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 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 2 3 4 6 4 7 5 9 5 3 4 3 5 9 38 19 13 74 19 11 5 3 5 4 2 1 1 3 2 0 2 1 1 1 2 2 7 8 24 23 44 19 40 18 14 3 6 1 1 1 1 1 0 1 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 80 79 m 2H \| 76 75 m 1H \| 75 75 m 2H \| 58 58 t 1H J 49 \| 34 33 t 2H J 86 \| 32 31 td 2H J 49 58 \| 26 25 t 2H J 86 \| 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.
CCOC(=O)c1cn2c(n1)S(=O)(=O)CCC2	ir: 0 12 22 8 10 48 32 56 9 9 12 9 2 10 14 32 3 11 13 6 2 10 11 9 5 13 14 4 3 11 11 3 4 11 10 2 7 13 12 33 55 10 9 3 6 11 15 18 7 12 8 5 10 15 10 3 7 14 9 2 7 11 13 7 37 21 17 4 12 14 7 4 17 36 17 9 11 12 5 3 9 10 5 21 30 15 7 15 52 13 3 6 11 12 4 9 12 9 2 5 11 8 4 10 23 79 51 9 15 11 3 9 21 42 7 21 53 27 10 19 14 31 10 8 16 9 3 20 31 8 13 28 13 5 3 9 11 5 4 10 13 5 4 9 9 90 100 10 9 3 4 10 9 3 5 11 8 3 6 12 8 2 6 11 7 2 6 12 7 1 6 12 6 1 7 12 6 2 7 11 6 2 8 11 5 3 8 11 5 3 8 10 5 4 9 10 4 4 9 9 4 4 9 9 4 5 10 9 3 5 10 8 3 5 10 8 3 5 11 7 2 6 11 7 2 7 11 7 1 7 11 6 2 7 11 6 2 8 11 6 3 8 10 5 3 8 10 5 4 9 9 5 4 9 10 5 5 9 9 4 5 9 8 4 5 10 9 4 6 11 8 4 7 14 18 11 10 20 12 5 8 13 8 12 91 57 11 4 8 16 43 24 15 12 6 3 8 11 5 3 8 9 5 4 8 10 5 4 8 9 5 4 9 9 4 5 9 9 4 5 9 8 4 5 9 8 3 5 10 8 3 6 10 7 3 6 10 7 3 6 11 7 2 7 10 6 3 7 10 6 3 7 10 6 3 7 9 5 4 8 9 5 4 8 9 5 4 8 9 5 5 8 8 4 5 9 8 4 5 9 8 4 5 9 8 4 6 9 7 4 6 10 7 3 6 10 7 3 6 10; 1HNMR: 72 71 t 1H J 9 \| 43 43 q 2H J 64 \| 43 42 m 2H \| 35 34 m 2H \| 23 22 m 2H \| 14 13 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(Cc1ccccc1)C(=O)c1cnoc1-c1cccc(Cl)c1	ir: 9 4 2 5 8 3 3 6 6 10 3 5 6 3 2 3 6 4 2 3 5 2 2 4 4 2 4 8 14 6 17 16 32 10 5 7 6 9 18 32 21 3 6 6 49 36 15 20 9 4 3 6 3 1 3 6 3 0 3 6 3 1 7 8 5 7 10 14 35 16 8 8 3 2 5 9 8 7 11 9 7 7 18 8 3 2 13 8 21 14 9 6 3 5 10 6 4 11 17 12 4 3 4 4 5 3 5 4 5 3 6 4 6 7 13 7 2 12 12 12 4 37 16 8 4 6 9 13 23 10 9 12 21 30 14 28 16 7 8 18 21 10 16 49 16 30 13 4 2 5 4 10 3 5 5 2 2 5 4 1 2 5 3 1 3 5 3 1 3 5 3 0 12 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 1 3 4 2 1 3 4 2 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 3 1 2 4 4 5 4 7 5 2 5 6 5 4 5 8 7 8 9 32 71 63 27 100 99 29 8 5 4 3 5 3 3 2 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 4 3 1 2 4 3 1 2 4 2 1; 1HNMR: 85 85 s 1H \| 77 77 ddd 1H J 14 22 92 \| 77 76 t 1H J 21 \| 74 74 dd 1H J 79 90 \| 74 72 m 6H \| 43 42 t 2H J 8 \| 35 34 q 2H J 73 \| 13 12 t 3H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(N2c3ccccc3N(CCCBr)S2(=O)=O)c(F)c1	ir: 0 1 1 5 2 1 0 1 1 3 2 14 6 3 5 14 2 1 1 1 2 1 5 2 2 4 2 1 0 0 0 1 1 1 2 5 1 1 1 1 1 0 10 44 5 3 1 1 0 1 1 1 4 13 10 27 1 1 1 1 1 1 2 1 1 3 3 7 2 6 5 9 2 3 33 17 2 0 3 11 13 1 3 2 0 4 3 33 100 11 3 1 2 1 2 1 1 9 3 1 1 2 1 1 0 2 3 6 32 2 1 2 1 3 2 1 1 3 3 1 2 2 1 0 2 1 1 1 1 0 0 1 0 1 0 1 1 0 11 1 1 1 22 3 1 5 11 2 1 11 8 12 4 4 1 4 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 2 2 3 1 1 1 2 2 3 2 9 9 22 33 14 4 2 1 2 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 4H \| 73 72 td 1H J 15 77 \| 71 71 ddd 1H J 10 25 79 \| 70 69 m 1H \| 40 40 t 2H J 64 \| 35 34 t 2H J 47 \| 23 23 s 3H \| 21 21 tt 2H J 47 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2ccc3nc([C@@H]4C[C@H](N5CCC[C@H]5C)C4)sc3c2)c(C)n1	ir: 1 2 5 5 3 4 9 9 6 7 1 3 4 3 5 6 4 6 8 9 3 5 9 4 5 8 2 2 2 1 1 4 3 6 16 7 10 19 3 7 5 4 3 4 5 1 2 2 1 2 4 9 30 61 37 9 13 1 9 11 4 2 3 9 11 9 14 7 23 33 21 9 8 4 4 6 5 5 4 2 5 9 14 10 8 10 7 12 11 3 10 9 8 12 4 9 13 5 16 8 6 9 5 12 5 4 5 3 3 7 25 4 2 3 8 8 8 12 10 14 10 8 18 10 5 4 5 5 5 4 10 9 7 13 12 5 23 99 33 18 13 3 7 5 9 37 2 2 10 31 19 29 14 3 1 4 8 40 7 2 2 1 5 7 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 9 2 2 2 4 3 12 15 7 7 9 9 18 38 5 46 31 100 7 6 5 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 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 82 d 1H J 21 \| 79 79 d 1H J 75 \| 78 78 d 1H J 79 \| 77 77 dd 1H J 22 75 \| 72 71 dq 1H J 9 80 \| 33 32 pd 1H J 24 70 \| 31 30 pd 1H J 25 82 \| 29 28 m 2H \| 27 26 m 1H \| 26 26 s 2H \| 25 24 d 3H J 7 \| 24 23 ddd 2H J 71 80 126 \| 21 20 ddd 2H J 69 83 126 \| 19 18 m 2H \| 17 16 m 2H \| 11 11 d 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)N(CCCl)N(C(=O)Oc1ccc(Cl)cc1)S(C)(=O)=O	ir: 46 12 8 6 8 6 15 14 8 10 14 10 17 9 18 6 4 3 3 2 1 9 17 3 5 3 3 1 1 2 3 3 2 3 4 3 2 49 6 4 5 2 6 2 7 16 9 3 3 5 4 1 3 10 14 33 10 3 9 5 4 5 2 0 3 8 49 8 100 6 7 5 2 2 3 12 18 6 2 2 4 5 4 18 32 18 14 86 75 6 8 6 4 3 3 8 40 6 7 6 8 27 6 15 31 15 19 7 6 3 4 2 21 2 3 4 3 10 5 10 21 27 18 3 9 2 4 3 3 4 4 21 3 2 2 1 2 2 1 2 2 2 2 3 7 5 29 18 37 14 8 4 91 3 2 3 2 2 1 1 2 5 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 2 2 0 14 6 3 8 4 5 6 2 4 2 3 4 8 51 38 21 41 72 8 9 7 7 2 6 2 1 2 1 2 2 1 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 74 m 2H \| 73 72 m 2H \| 41 41 t 2H J 44 \| 38 38 t 2H J 44 \| 29 28 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CBr)c1ccc2c(c1)S(=O)NC=C2	ir: 9 4 4 2 0 5 3 7 4 8 6 13 8 8 8 3 1 7 9 1 0 10 34 50 10 12 14 7 32 9 8 6 4 11 4 2 3 6 3 7 9 27 21 13 15 7 9 16 4 6 4 2 2 6 8 8 8 3 2 1 2 3 2 2 3 10 5 0 5 3 1 2 3 3 1 1 5 12 2 1 3 3 7 11 4 4 2 1 3 3 2 4 4 5 10 10 4 2 1 3 4 6 3 3 4 2 1 2 2 2 2 5 6 5 8 12 15 21 13 100 19 12 20 11 10 25 14 5 5 3 2 4 3 1 2 2 3 1 8 5 7 61 41 21 24 2 2 5 12 3 6 4 2 1 1 2 1 2 5 4 3 1 3 18 4 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 1 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 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 2 3 2 5 3 3 2 2 2 3 4 4 27 8 56 60 25 15 7 2 2 2 1 2 2 2 2 1 2 2 2 1 2 2 3 2 2 2 2 6 45 81 9 1 3 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 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 91 90 d 1H J 64 \| 87 86 d 1H J 21 \| 80 80 dd 1H J 21 83 \| 77 76 m 2H \| 67 66 m 1H \| 47 46 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCC[C@H]1C(=O)OC(C)(CO)[C@@H]1O	ir: 6 2 5 4 4 10 7 10 11 8 7 6 8 7 6 5 3 3 3 3 1 2 1 1 2 1 3 2 1 1 1 1 1 1 1 1 1 1 1 3 2 3 5 2 3 1 1 1 1 1 1 1 1 0 1 1 1 2 2 1 1 1 2 1 1 2 1 1 1 1 2 2 1 0 1 1 1 1 1 1 1 1 2 1 2 3 2 2 7 23 25 27 5 12 10 8 5 10 9 5 2 3 4 4 3 2 5 4 2 1 2 2 1 2 3 4 10 4 5 4 3 3 3 3 3 4 3 4 2 2 2 1 0 1 1 0 0 1 1 1 1 0 1 1 30 18 7 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 1 1 1 1 0 1 1 1 0 0 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 2 3 4 4 5 3 5 13 4 2 2 1 1 5 24 100 67 18 19 36 3 1 1 1 1 0 0 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 d 1H J 59 \| 46 45 t 1H J 64 \| 43 42 tdt 1H J 17 33 75 \| 39 39 dd 1H J 64 117 \| 37 36 dd 1H J 64 117 \| 25 25 dt 1H J 70 77 \| 18 17 dtdd 1H J 18 70 79 135 \| 17 15 m 1H \| 15 14 d 3H J 15 \| 14 13 m 1H \| 14 13 m 1H \| 13 12 m 6H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOCCOCCSC1=C(SCCOCCOCCOC)SC(=C2Sc3c[nH]cc3S2)S1	ir: 1 1 2 1 0 1 1 1 0 1 1 2 1 2 2 2 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 2 1 18 11 1 1 1 1 1 1 1 1 2 3 3 3 1 1 1 1 1 1 4 3 8 2 3 6 5 6 3 3 7 2 8 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 2 1 2 4 43 3 0 0 1 1 0 1 2 2 1 1 2 2 1 1 2 3 1 1 2 1 3 2 1 1 3 2 1 1 0 1 1 1 0 1 1 1 1 2 1 0 0 1 1 1 1 1 9 0 0 2 1 1 1 1 2 0 1 2 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 4 6 2 1 1 1 12 1 1 15 6 1 0 1 1 0 0 0 1 1 0 0 0 1 1 0 1 1 1 1 100 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 75 74 m 1H \| 67 66 d 2H J 60 \| 38 37 t 4H J 52 \| 37 36 m 13H \| 36 35 m 4H \| 34 34 s 5H \| 32 32 t 4H J 51	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)CCCCCCC(=O)O	ir: 1 2 2 2 2 2 2 2 2 2 2 2 2 3 6 2 2 2 4 3 9 19 10 16 7 3 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 1 2 2 2 1 1 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 3 3 3 2 2 2 2 2 3 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 2 2 4 5 3 2 1 2 2 2 2 2 2 2 2 2 2 2 2 3 5 4 9 5 6 3 3 2 2 2 2 1 1 2 2 1 1 2 1 1 1 2 1 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 2 2 2 3 2 2 2 2 2 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 2 2 2 2 2 3 3 2 2 2 2 1 2 2 3 3 3 4 2 1 2 3 1 0 4 4 3 0 79 100 23 7 3 2 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 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: 100 99 s 1H \| 23 23 dt 4H J 86 102 \| 21 21 s 2H \| 16 15 m 4H \| 14 13 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=O)C1=C(O)CC(c2ccc(C(=O)OC)cc2)CC1=O	ir: 3 2 5 2 2 10 7 11 2 2 1 3 6 5 1 36 0 5 7 4 3 4 3 4 5 14 8 2 2 9 2 1 1 4 4 2 6 14 17 16 36 6 5 6 39 22 7 3 2 2 7 11 9 7 13 44 40 10 18 19 2 0 2 2 1 1 3 7 3 4 14 5 6 1 3 6 1 1 1 3 1 1 1 1 1 1 2 4 22 18 8 7 3 3 2 2 4 4 6 6 5 1 3 7 29 26 53 13 8 2 7 4 1 2 4 25 7 11 5 5 5 10 4 4 15 20 6 5 2 5 1 1 2 11 4 6 3 2 1 2 12 5 6 33 4 4 17 12 3 5 3 8 4 0 1 3 2 100 7 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 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 6 4 4 2 2 5 7 3 9 11 6 13 52 14 52 46 55 16 7 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 0; 1HNMR: 78 77 m 2H \| 73 72 m 2H \| 39 39 s 3H \| 35 34 m 1H \| 29 29 dd 1H J 73 161 \| 28 27 m 3H \| 27 25 ddd 2H J 72 160 291 \| 12 11 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cnc(NC(CC(C)C)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)nc1	ir: 11 6 6 6 3 4 1 5 6 6 2 2 2 4 6 4 5 4 11 4 2 2 2 2 2 2 5 3 2 3 2 2 3 3 4 6 30 31 9 9 3 3 2 2 3 2 2 2 2 3 2 3 5 13 8 6 5 5 4 3 2 2 2 1 2 2 2 1 4 2 2 2 3 2 2 5 2 4 1 4 3 9 2 2 2 2 4 2 2 3 2 3 1 4 2 2 5 4 4 9 4 2 2 2 1 1 2 2 1 3 4 11 41 8 2 5 5 3 3 2 4 3 2 7 12 4 3 3 4 4 2 2 2 2 2 2 2 2 5 20 100 6 8 3 3 23 5 33 4 7 3 2 4 2 16 5 3 1 2 3 4 72 4 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 2 2 2 2 2 4 2 2 5 4 9 34 7 4 3 2 3 2 2 2 2 1 1 1 2 1 2 2 2 2 2 3 2 2 3 5 3 29 9 5 2 2 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 89 89 s 2H \| 78 77 m 2H \| 77 76 m 4H \| 73 73 m 2H \| 62 62 d 1H J 71 \| 51 50 m 1H \| 39 39 s 2H \| 20 19 ddd 1H J 74 91 119 \| 18 17 m 2H \| 9 8 m 3H \| 8 7 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)C2C=C(C#Cc3ccccn3)[C@]1(C)CC2	ir: 4 3 3 8 10 7 10 4 2 2 3 2 2 3 3 2 3 2 5 3 2 3 3 3 3 10 9 13 10 4 10 11 11 7 11 11 25 22 16 5 9 14 15 19 29 27 10 12 6 3 3 4 7 28 16 17 21 7 8 4 3 4 10 9 27 10 7 9 10 10 17 6 3 5 5 4 7 4 5 11 11 24 12 12 6 6 3 4 5 4 5 9 5 4 4 3 2 3 5 5 1 3 13 66 19 6 3 9 13 6 2 3 4 3 8 10 11 10 7 5 6 7 3 4 5 3 3 3 4 8 6 10 7 30 100 16 24 7 7 4 3 3 3 2 4 6 14 27 12 19 13 21 17 22 16 22 66 83 14 7 3 0 3 8 3 1 3 4 2 1 2 4 2 1 3 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 8 3 2 2 3 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 3 4 4 4 4 4 6 4 6 7 8 7 8 9 21 59 17 30 56 40 34 8 9 9 4 3 3 4 6 3 2 3 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 85 85 dd 1H J 17 40 \| 77 77 td 1H J 17 64 \| 75 75 dd 1H J 14 64 \| 73 73 ddd 1H J 14 40 62 \| 60 59 dt 1H J 9 51 \| 27 27 dtt 1H J 15 27 67 \| 18 17 m 2H \| 16 16 ddd 1H J 49 68 116 \| 16 15 m 1H \| 11 11 s 2H \| 10 10 d 3H J 14 \| 10 9 d 3H J 14	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]cnc2cccc(Br)c12	ir: 2 2 3 6 6 2 2 3 2 2 2 2 2 2 2 8 18 9 7 6 1 2 2 2 4 3 2 2 1 2 2 1 1 5 26 69 15 2 6 4 4 1 2 4 3 3 3 7 53 14 24 14 2 4 1 1 3 5 3 4 2 1 2 2 35 40 3 2 2 2 2 2 1 1 1 2 2 3 2 1 3 3 3 2 1 1 2 2 1 4 5 4 1 1 1 3 2 7 14 15 1 1 3 3 2 1 2 1 1 1 2 18 29 12 2 2 1 2 2 2 1 2 2 1 0 2 5 77 100 3 1 2 2 2 2 1 2 3 8 8 4 4 4 2 1 3 13 17 1 7 5 1 2 4 17 17 6 2 3 24 59 37 3 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 3 6 8 7 16 17 14 6 1 2 2 2 1 2 2 3 5 6 2 3 2 1 2 2 1 4 26 27 8 23 22 5 2 2 2 9 9 1 2 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; 1HNMR: 85 85 d 1H J 71 \| 77 77 dd 1H J 12 76 \| 76 75 m 1H \| 75 74 dd 1H J 12 83	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#Cc1ccc(-c2ccc(C)cc2)cc1	ir: 0 1 1 3 1 0 0 0 0 3 1 2 2 1 0 0 0 0 0 0 0 0 0 3 1 1 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 4 16 24 20 3 18 20 1 0 0 0 2 2 1 1 1 1 1 8 3 8 5 8 5 5 1 1 1 0 0 0 0 0 0 0 1 1 3 0 17 3 0 0 0 0 0 0 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 2 2 2 2 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 7 12 35 7 0 2 1 1 0 8 4 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 1 0 1 2 1 2 1 2 2 0 100 92 18 5 2 1 2 1 1 0 1 0 0 0 0 0 0 77 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; 1HNMR: 78 77 m 2H \| 76 76 m 2H \| 75 75 m 2H \| 73 72 dp 2H J 8 74 \| 31 31 s 1H \| 24 24 d 3H J 8	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C=CNc1ccccc1	ir: 2 2 2 2 5 31 88 29 2 4 3 2 0 2 6 1 2 23 16 8 3 3 2 1 1 5 2 1 1 5 6 2 1 2 2 1 1 2 4 0 6 100 0 3 3 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 8 5 3 2 2 1 1 2 2 2 2 3 13 14 67 11 18 21 6 2 4 3 2 0 1 2 3 0 1 2 1 0 1 2 1 1 19 3 2 9 6 3 1 1 17 3 2 1 2 2 1 1 2 2 1 1 2 2 3 11 5 35 2 1 2 2 6 5 1 2 2 14 10 3 3 16 13 2 8 2 2 2 1 1 2 2 8 2 2 2 1 1 2 2 1 1 2 1 1 1 2 23 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 2 2 2 1 3 16 11 27 6 2 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 2 2 12 39 29 6 1 3 4 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 dd 1H J 70 135 \| 74 73 m 2H \| 71 71 m 2H \| 69 68 tt 1H J 11 69 \| 56 55 d 1H J 134 \| 37 37 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCC1CCC(F)(F)CC1)c1c(Cl)ccc2nc(NCCCO)ccc12	ir: 6 9 7 4 2 7 3 3 5 7 8 7 8 5 8 3 4 5 7 7 7 8 5 10 13 15 13 6 6 3 10 11 11 9 30 9 14 10 11 5 11 6 6 0 6 5 6 7 11 3 4 3 3 4 17 55 6 10 10 6 4 10 3 1 2 4 2 1 3 3 2 3 2 4 5 8 3 3 3 1 3 3 2 2 3 5 11 11 18 19 9 18 4 10 10 7 4 7 5 3 3 2 5 6 7 9 10 17 7 4 6 7 7 4 3 7 5 6 5 3 12 22 9 13 15 8 15 7 6 8 8 5 5 7 5 5 4 6 10 5 4 3 4 9 16 15 21 100 22 16 17 94 14 5 4 2 6 13 3 2 2 1 1 2 2 4 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 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 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 2 1 1 2 2 1 1 2 2 1 2 2 3 4 3 5 3 2 3 4 7 6 11 9 21 26 10 15 8 8 12 28 29 11 8 6 4 3 2 3 2 3 3 3 4 4 9 19 15 31 30 62 31 9 18 6 2 2 2 2 0 2 2 1 0 1 2 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 0 1 1 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 83 \| 81 80 d 1H J 84 \| 77 77 d 1H J 84 \| 75 75 t 1H J 60 \| 67 67 d 1H J 82 \| 57 56 t 1H J 49 \| 38 38 t 1H J 56 \| 36 35 q 2H J 55 \| 35 34 td 2H J 48 65 \| 33 33 dd 2H J 39 60 \| 21 17 m 10H \| 17 16 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1Cc2cc(-c3ccc(-c4cncc(NS(=O)(=O)c5cccc(F)c5)c4)s3)ccc2C1=O	ir: 10 5 12 6 8 7 7 8 4 9 7 3 3 13 6 19 8 23 8 10 7 7 8 2 5 9 8 8 42 9 17 12 7 11 62 8 9 6 6 17 5 5 4 7 8 5 41 20 3 5 4 5 3 5 6 28 5 3 4 5 11 4 3 9 15 8 8 38 8 9 5 7 4 8 12 4 7 4 3 8 10 5 3 3 5 36 21 7 15 14 8 4 4 4 3 3 2 4 21 6 17 26 6 3 4 3 3 11 14 4 5 14 10 22 4 4 5 4 7 21 23 8 3 9 8 17 3 3 4 3 6 11 17 27 3 8 4 5 6 18 14 7 4 3 2 2 2 3 3 2 8 42 5 4 58 0 2 6 13 2 2 18 15 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 2 3 2 3 2 2 3 4 4 2 7 9 23 100 18 10 6 5 2 2 4 3 3 2 2 2 2 2 2 2 2 3 3 2 3 4 9 10 12 55 27 49 10 7 5 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 89 88 s 1H \| 85 84 t 1H J 17 \| 84 84 t 1H J 17 \| 81 80 m 2H \| 78 77 m 2H \| 77 77 dt 1H J 9 21 \| 76 76 dt 1H J 22 120 \| 76 75 m 1H \| 75 75 d 1H J 66 \| 73 73 d 1H J 66 \| 72 71 dddd 1H J 11 21 77 99 \| 40 40 d 2H J 7 \| 31 30 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C=CC(=O)OCCC(C)CCC=C(C)C)c(O)c1	ir: 1 1 1 2 3 2 2 1 1 3 4 2 2 1 1 3 1 1 1 1 1 2 1 1 1 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 2 6 2 1 1 1 1 2 1 2 1 1 1 4 3 3 2 5 1 1 1 2 1 1 4 22 5 4 13 14 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 2 1 1 4 2 3 1 2 2 1 3 2 2 2 1 1 1 3 2 2 1 1 1 1 0 1 2 1 1 1 1 1 4 1 1 3 1 1 13 1 4 1 3 9 1 2 4 1 1 1 2 1 1 1 3 0 0 0 1 4 3 1 1 0 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 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 5 3 11 5 9 7 2 1 0 2 3 6 100 12 1 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 1 0 1 0 0 0 1 1 1 1 0 1 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 s 1H \| 79 78 d 1H J 161 \| 75 75 d 1H J 82 \| 66 65 dd 1H J 22 82 \| 65 65 d 1H J 21 \| 64 63 d 1H J 161 \| 51 51 dddd 1H J 9 17 37 75 \| 42 42 dt 1H J 65 112 \| 41 40 dt 1H J 64 112 \| 38 38 s 2H \| 21 19 m 2H \| 17 15 m 9H \| 15 14 m 2H \| 13 12 dtdd 1H J 9 68 77 126 \| 10 9 d 3H J 65	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)NC(=O)c1ccc(F)cn1	ir: 2 3 3 6 3 7 5 5 5 5 2 3 3 2 2 1 2 1 2 5 4 2 2 2 2 2 3 4 5 2 2 2 2 7 35 32 37 9 7 4 5 8 17 32 16 14 4 4 2 1 2 2 2 4 9 7 13 4 2 2 3 5 3 2 3 2 2 2 3 5 4 2 1 1 2 2 2 2 2 1 1 1 1 2 2 1 1 3 5 8 3 2 2 2 2 2 3 5 2 2 2 2 2 4 5 3 3 2 2 1 2 1 1 2 2 2 2 2 3 9 7 15 11 5 2 3 3 3 3 17 71 100 24 4 0 3 3 1 0 3 3 1 6 37 93 70 32 8 5 5 6 11 8 6 2 2 2 1 2 9 8 8 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 1 1 2 1 1 2 2 2 1 4 8 10 3 36 9 26 5 4 2 3 3 3 3 2 1 2 2 2 2 4 3 4 3 5 12 5 20 25 69 45 79 7 5 3 2 2 1 2 2 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 85 dd 1H J 20 141 \| 80 79 dd 1H J 46 82 \| 76 75 ddd 1H J 18 81 101 \| 74 74 s 1H \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(C=Cc1ccc(N2CCCC2)cc1)c1ccc2c(c1)CCC2	ir: 2 3 2 5 7 4 2 6 3 2 3 5 5 4 5 7 5 4 3 3 7 2 2 2 6 4 1 3 2 2 2 2 4 3 3 4 3 1 2 4 8 6 6 8 7 8 16 44 100 90 22 25 39 5 22 42 37 39 18 28 24 15 9 4 3 3 1 8 13 10 9 5 5 2 2 2 2 2 3 3 2 1 3 5 8 24 16 8 12 11 14 20 22 5 12 7 8 9 2 10 20 5 5 19 15 9 13 21 2 8 6 9 11 14 9 9 4 4 7 6 7 11 8 5 3 5 9 8 2 3 3 1 2 3 9 12 29 8 8 11 15 15 15 28 15 8 5 8 10 36 38 30 14 16 5 6 4 11 13 2 2 1 2 1 5 5 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 2 4 10 3 3 2 2 6 8 20 21 52 67 78 53 8 8 9 4 2 5 3 2 1 2 2 1 0 1 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 78 77 m 3H \| 76 75 m 2H \| 75 74 d 1H J 159 \| 72 72 m 1H \| 69 68 m 2H \| 34 34 m 4H \| 30 29 t 2H J 63 \| 29 29 t 2H J 63 \| 22 21 m 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cncc(C#Cc2ccc(F)c(C(F)(F)F)c2)c1	ir: 5 3 2 2 1 3 9 8 12 7 4 2 3 3 3 3 4 5 8 7 3 5 3 2 1 3 3 2 13 4 4 4 22 18 5 14 11 3 2 1 1 2 1 1 1 3 6 7 6 4 2 1 2 5 9 18 8 5 3 1 2 2 2 2 3 9 6 25 41 13 4 3 6 12 2 2 4 6 4 11 12 4 2 6 2 4 2 2 4 4 5 1 2 2 2 2 3 8 18 31 47 7 5 7 9 4 6 14 4 2 1 2 14 18 14 4 4 2 2 10 37 17 13 8 10 4 27 3 2 2 2 1 2 1 1 1 2 2 2 1 2 10 68 9 4 1 2 2 4 25 4 6 2 4 4 4 11 5 3 4 2 1 4 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 3 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 0 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 2 1 3 3 3 8 6 25 100 58 18 9 2 3 4 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 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; 1HNMR: 86 85 t 1H J 17 \| 81 80 t 1H J 17 \| 77 77 ddq 1H J 9 20 31 \| 75 74 ddd 1H J 22 36 71 \| 72 72 t 1H J 17 \| 72 72 dd 1H J 71 101 \| 39 39 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCC(O)CNCCCCCCNCC(O)CCCCC	ir: 3 4 3 8 4 4 5 9 8 8 4 7 11 5 10 3 5 7 4 4 2 2 2 3 1 3 2 1 1 1 1 1 1 1 1 2 2 7 6 7 6 2 3 4 4 5 8 10 6 8 5 4 8 4 11 11 5 4 3 2 2 2 6 2 2 2 3 3 4 3 4 8 4 2 2 2 5 4 1 1 1 2 1 1 2 4 6 26 6 16 7 2 1 1 2 1 0 1 2 1 0 1 2 2 7 8 10 6 12 4 6 6 7 9 13 7 5 6 16 7 5 4 5 2 3 2 3 1 2 2 1 2 1 4 4 3 1 2 3 1 1 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 1 2 2 1 1 1 1 1 1 1 2 6 3 1 1 0 1 1 2 2 3 44 40 10 3 2 1 1 1 1 2 2 2 5 100 12 4 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 40 40 tt 2H J 48 66 \| 39 38 tdt 2H J 46 55 64 \| 33 33 d 2H J 55 \| 29 28 ddd 2H J 46 66 130 \| 28 26 m 6H \| 16 15 dtd 2H J 64 90 139 \| 15 14 m 4H \| 15 12 m 19H \| 9 8 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1SC[C@H](/C=C/C(O)Cc2ccccc2)N1CCCCCCc1nnn[nH]1	ir: 13 9 12 9 13 10 24 7 9 7 15 10 6 5 6 5 8 6 7 3 1 7 5 5 1 7 4 3 2 14 8 5 16 7 5 4 2 7 7 50 22 10 3 4 6 5 5 1 4 3 3 2 5 9 17 36 48 60 11 1 4 6 3 1 4 6 5 19 9 6 4 2 5 3 3 9 19 10 15 6 5 5 3 3 7 11 5 28 44 70 17 4 6 10 3 2 8 6 6 10 18 9 50 13 11 4 3 9 17 11 14 5 5 13 9 5 10 6 5 6 13 12 7 5 6 5 1 4 16 6 3 8 23 14 10 12 6 2 2 3 6 3 10 24 82 7 3 5 4 2 4 6 7 7 27 16 3 3 2 4 2 2 2 4 2 1 2 3 2 1 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 0 1 2 2 1 1 2 2 0 1 2 2 0 2 3 1 0 2 3 1 0 2 3 2 0 1 2 1 0 2 3 1 1 2 2 1 1 2 3 1 0 2 2 1 1 3 3 1 1 3 2 1 1 3 2 2 3 4 4 3 2 3 6 2 4 7 7 8 6 12 7 8 6 16 10 19 39 26 19 100 38 15 12 2 9 17 23 46 32 12 3 5 2 5 2 1 4 3 2 2 5 3 4 2 4 11 29 31 20 5 2 2 3 4 2 2 4 2 2 2 3 3 1 2 3 2 1 2 3 2 0 1 3 1 0 1 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 0 1 2 2 0 1 2 1 0 1 3; 1HNMR: 73 72 m 5H \| 59 58 m 2H \| 44 44 m 2H \| 36 35 m 2H \| 33 33 ddd 1H J 9 28 116 \| 31 30 ddd 1H J 9 47 115 \| 30 29 m 1H \| 28 27 t 2H J 99 \| 28 27 ddq 1H J 9 68 130 \| 24 24 d 1H J 55 \| 21 20 tt 2H J 80 99 \| 16 14 m 4H \| 14 13 pd 2H J 15 74	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCC(N2CCc3cnc(C#Cc4ccccc4)c4cccc2c34)CC1	ir: 1 1 2 4 4 12 2 2 1 2 12 7 1 0 1 4 3 4 1 0 0 2 3 7 19 0 0 3 5 4 7 20 4 7 4 1 1 5 25 75 22 1 2 11 100 25 8 4 8 1 11 3 3 8 2 4 8 10 3 1 1 1 0 0 1 3 5 7 16 15 1 4 5 2 6 2 26 2 6 3 4 4 2 1 2 1 6 2 9 0 1 1 2 3 2 2 10 3 6 3 2 2 1 1 3 1 9 7 1 3 4 9 3 2 2 4 5 2 6 4 6 7 46 8 5 4 2 2 3 19 4 4 2 3 13 8 6 17 45 13 3 9 13 17 31 34 4 3 4 11 5 6 3 2 1 1 3 7 22 1 1 0 6 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 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 1 0 1 2 3 3 6 3 2 2 2 5 1 8 23 8 18 54 19 27 4 4 1 1 1 0 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 dd 1H J 11 88 \| 79 79 t 1H J 9 \| 76 76 m 2H \| 74 73 m 4H \| 69 68 dd 1H J 12 76 \| 37 37 p 1H J 60 \| 36 35 t 2H J 55 \| 30 29 m 2H \| 26 25 ddd 2H J 52 79 148 \| 25 24 ddd 2H J 53 80 148 \| 21 20 dddd 2H J 52 60 81 125 \| 19 18 dddd 2H J 53 60 79 125	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CC(CNC(=O)c2cc(CCO)n3cccc(Cl)c23)CCC1(F)F	ir: 3 6 18 5 3 3 3 2 6 13 5 4 2 3 3 4 5 5 1 4 2 7 5 9 16 10 10 8 18 8 3 8 5 16 4 2 2 2 3 1 5 11 8 5 12 22 13 8 59 33 8 6 8 7 7 5 3 4 5 2 1 2 2 2 1 3 2 1 3 11 7 7 5 10 7 9 4 9 4 4 1 3 7 3 5 11 33 90 9 15 7 27 10 25 6 3 5 5 1 4 5 4 5 10 6 15 13 14 10 6 0 2 12 9 7 3 5 3 11 8 14 8 12 16 13 6 5 10 14 5 19 5 9 3 4 4 9 4 2 27 10 2 5 26 3 18 36 28 30 3 47 16 12 5 3 3 2 2 7 2 8 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 2 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 0 1 0 1 1 1 0 1 1 1 0 1 3 2 1 1 1 1 1 1 1 4 2 1 2 8 3 5 6 4 6 5 5 5 12 22 4 6 7 31 47 32 20 12 6 11 100 19 6 3 2 2 1 1 1 2 2 1 5 5 6 13 6 10 44 7 2 6 4 4 2 2 1 2 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 81 81 dd 1H J 13 73 \| 77 77 t 1H J 63 \| 76 75 dd 1H J 13 73 \| 73 72 t 1H J 73 \| 69 69 t 1H J 9 \| 38 38 m 1H \| 38 38 s 2H \| 34 33 ddd 1H J 38 63 126 \| 31 30 ddd 1H J 38 64 128 \| 29 28 m 2H \| 23 21 m 2H \| 21 19 m 2H \| 19 17 m 2H \| 16 15 m 2H \| 10 9 dt 3H J 37 81	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCC(COc1ccccc1)N1C(=O)c2ccccc2C1=O	ir: 6 4 3 2 1 1 1 1 2 2 2 2 1 2 1 0 0 1 1 0 0 1 2 2 1 6 9 7 5 10 4 4 2 5 2 2 4 5 7 9 27 11 4 1 2 2 8 1 2 0 1 1 0 0 1 1 1 1 1 1 1 1 2 1 1 0 1 0 6 3 2 2 1 1 1 1 0 1 2 4 3 1 0 1 1 0 0 0 0 1 1 0 0 0 1 1 2 1 0 2 1 1 1 1 1 1 3 3 2 2 3 3 15 6 2 2 1 1 1 2 7 5 2 6 5 2 3 7 6 6 4 2 9 2 3 13 32 1 38 1 3 3 3 5 7 10 21 18 5 10 10 0 7 8 100 5 9 1 1 8 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 1 1 0 2 6 3 2 7 5 6 52 9 3 3 2 2 1 0 1 0 1 1 1 1 1 1 1 0 1 1 0 2 2 17 6 14 7 4 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 dd 2H J 31 50 \| 77 77 dd 2H J 31 51 \| 73 73 m 2H \| 70 70 tt 1H J 14 75 \| 69 69 m 2H \| 59 59 t 1H J 46 \| 47 47 p 1H J 33 \| 43 43 dd 1H J 33 115 \| 41 40 dd 1H J 33 115 \| 35 34 ddd 1H J 33 46 123 \| 32 32 ddd 1H J 33 46 123 \| 14 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)c(CN2CCc3c(Cl)cc(-c4c(C)nnn4C)c(Cl)c3C2=O)c(=O)[nH]1	ir: 2 5 8 5 3 5 8 6 0 6 11 12 2 11 11 6 3 20 14 5 6 8 13 13 9 14 5 2 8 5 5 2 2 5 10 2 2 18 9 2 3 8 20 16 13 30 16 8 16 68 100 16 11 8 8 4 4 8 4 2 5 10 8 4 8 10 4 6 22 15 10 3 6 8 7 13 11 7 3 3 5 5 2 2 5 6 4 14 9 8 3 6 7 6 5 8 28 59 6 23 9 7 1 6 12 45 14 8 11 5 1 5 10 6 11 5 13 11 4 15 31 8 8 10 12 7 5 6 16 9 4 8 7 2 1 7 21 3 5 5 11 3 23 19 25 5 6 50 11 11 56 5 5 2 7 12 6 4 50 10 50 16 12 8 4 1 3 7 3 0 4 7 4 0 3 6 3 0 4 6 3 1 4 6 2 1 4 5 2 1 4 5 2 1 5 5 2 2 5 5 2 2 5 4 1 2 5 4 1 2 5 4 1 2 5 4 1 3 5 4 1 3 6 4 0 3 6 3 0 3 6 3 1 4 6 3 1 4 6 3 1 4 5 3 1 4 5 2 2 4 5 2 2 4 5 2 2 4 5 2 2 5 4 1 2 5 4 2 3 9 7 2 4 9 6 8 6 11 12 2 5 8 4 9 18 14 20 67 23 19 8 2 5 9 4 2 4 6 3 2 5 5 4 2 5 5 4 3 10 12 10 84 51 34 10 5 6 5 2 2 5 4 2 2 5 4 2 3 5 4 2 3 5 4 1 3 5 3 1 3 6 3 1 3 6 3 1 3 5 3 1 4 5 3 1 4 5 3 2 4 5 2 2 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 3 5 4 2 3 5 4 1 3 5 3 1 3 5 3 1 3 5; 1HNMR: 99 99 s 1H \| 75 75 s 1H \| 60 60 p 1H J 12 \| 44 43 s 2H \| 41 40 s 3H \| 38 38 t 2H J 53 \| 31 31 td 2H J 26 51 \| 24 23 m 6H \| 22 21 d 3H J 9	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc([C@H](C)N2C[C@H]([C@@H](C)O)CC2=O)cc1	ir: 3 3 1 3 0 2 15 4 4 1 1 2 2 3 4 4 3 3 6 5 8 14 35 3 4 3 1 1 2 0 0 1 2 3 1 3 5 5 1 1 1 1 1 1 1 1 4 3 1 1 1 1 2 2 22 27 8 4 2 5 1 2 5 6 2 2 2 4 3 4 5 2 8 13 12 1 8 5 3 4 4 4 3 5 5 20 17 21 58 10 20 5 16 4 5 6 4 6 4 3 1 2 3 2 1 2 5 2 2 7 5 6 3 11 1 3 3 3 4 2 6 4 2 3 6 4 2 6 4 8 10 4 15 10 2 3 1 1 0 1 0 1 1 0 0 3 1 6 100 29 20 3 4 6 3 2 1 1 1 0 0 0 4 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 2 2 5 3 1 1 4 5 5 4 4 2 5 8 2 3 13 13 16 17 14 7 3 3 4 2 8 43 18 5 3 1 2 2 2 2 3 3 2 1 1 2 2 1 1 2 2 2 1 1 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 72 m 2H \| 69 68 m 2H \| 48 47 m 1H \| 40 38 m 1H \| 38 38 s 2H \| 37 36 dd 1H J 34 111 \| 35 34 ddd 1H J 17 52 113 \| 31 31 d 1H J 51 \| 26 25 dd 1H J 49 146 \| 23 22 ddd 1H J 18 68 146 \| 22 22 dtdq 1H J 17 34 51 87 \| 15 14 d 3H J 71 \| 12 11 dd 3H J 15 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1CC(=O)C(=CN(C)C)C1	ir: 2 8 19 29 9 13 15 9 6 11 20 12 6 15 19 12 4 15 14 5 7 12 15 35 14 27 100 93 13 14 12 4 4 12 10 2 5 10 10 2 5 11 12 2 7 15 11 0 6 13 8 1 6 14 9 3 16 18 13 5 10 16 14 19 17 18 13 7 13 17 8 3 10 15 7 7 14 12 7 4 12 13 5 4 11 12 3 7 15 17 37 37 25 17 6 9 14 13 5 12 17 22 14 23 40 52 38 17 21 28 12 35 44 22 8 14 20 16 4 13 15 33 41 18 16 9 6 14 16 8 6 17 32 10 6 11 11 5 5 10 11 6 20 26 47 35 45 75 28 4 4 12 10 3 4 11 8 2 5 16 13 2 5 13 7 1 6 12 7 0 6 13 6 0 7 12 6 1 7 12 5 1 7 11 5 2 8 11 4 2 8 10 4 3 9 10 4 3 9 9 3 3 9 9 3 4 10 8 3 4 10 8 2 5 11 8 2 5 11 7 1 6 11 7 1 6 12 6 1 6 12 6 1 7 11 6 2 7 11 5 2 7 10 5 2 8 10 4 3 8 10 4 3 9 9 4 4 9 9 3 4 9 9 3 4 10 8 3 5 11 9 3 6 11 9 11 10 13 8 4 15 26 12 3 26 21 13 15 13 13 7 3 7 11 6 3 8 10 5 3 8 10 5 3 8 9 4 3 8 9 4 4 8 9 4 4 9 8 4 4 9 8 3 5 9 8 3 5 10 7 3 5 10 7 2 6 10 7 2 6 11 6 2 6 11 6 2 7 10 6 2 7 10 5 3 7 10 5 3 7 9 5 3 8 9 4 4 8 9 4 4 8 8 4 4 9 8 4 5 9 8 3 5 9 7 3 5 9 7 3 6 10 7 3 6 10 6 2 6 10; 1HNMR: 75 75 m 1H J 9 \| 36 36 s 2H \| 31 30 d 6H J 11 \| 30 29 m 1H \| 29 29 m 1H \| 28 27 ddt 1H J 8 60 151 \| 27 26 dd 1H J 67 147 \| 25 25 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1CCC(C2COC3(CCCCC3)O2)CC1	ir: 6 8 11 8 15 24 21 79 12 23 16 19 1 11 13 6 1 26 8 3 4 3 3 2 1 3 4 2 3 4 3 7 31 10 12 5 12 8 8 8 6 5 4 1 2 3 5 3 2 6 12 13 6 4 6 5 11 19 6 6 6 10 27 4 15 7 9 5 11 9 6 4 6 19 11 11 5 6 4 3 4 3 1 3 3 6 7 16 23 5 12 17 11 11 5 7 8 9 17 29 25 14 19 13 11 23 82 27 28 48 59 39 46 51 72 55 51 22 15 9 18 28 11 22 9 21 15 20 22 10 10 11 15 10 5 8 10 15 9 8 5 7 7 14 100 16 6 5 3 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 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 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 2 5 7 8 6 7 14 20 31 33 25 17 11 23 32 30 45 91 71 14 3 4 5 1 2 2 3 2 1 2 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 42 41 q 2H J 64 \| 39 39 dd 1H J 38 114 \| 37 36 m 2H \| 24 23 p 1H J 70 \| 20 14 m 20H \| 13 12 t 3H J 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)[C@@H](N)CCCN	ir: 7 3 2 6 6 3 2 5 8 4 1 6 5 3 1 5 5 3 1 3 4 2 1 3 4 2 2 3 4 2 2 4 4 1 2 4 4 2 2 6 4 3 3 5 4 2 6 11 10 8 8 17 10 4 20 12 19 57 41 29 19 7 9 15 13 2 12 3 26 100 16 67 18 16 10 19 7 19 20 10 16 8 39 35 4 5 4 4 3 2 4 4 8 6 9 13 13 4 6 4 2 3 4 3 2 5 7 7 5 13 6 3 2 7 8 6 1 12 8 8 6 22 35 40 8 20 17 11 17 15 35 57 14 80 46 37 23 28 16 9 3 5 9 18 38 22 11 2 2 5 3 1 2 4 3 1 2 4 3 0 2 4 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 3 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 4 3 1 2 3 2 1 2 3 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 4 3 2 4 6 4 3 3 5 6 3 3 6 4 1 7 8 10 7 5 5 4 1 3 5 3 2 3 5 5 4 13 12 68 58 66 51 35 22 11 14 25 76 45 17 7 6 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 1 3 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 53 52 d 2H J 69 \| 42 40 qd 2H J 38 64 \| 38 37 tt 1H J 58 68 \| 30 29 ddt 2H J 54 64 118 \| 20 19 m 1H \| 18 16 m 3H \| 13 12 t 5H J 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCN(Cc1ccc(OC)cc1)C(=O)CC(=O)OC	ir: 16 4 10 3 3 8 10 6 7 10 5 22 14 7 14 12 9 5 14 6 17 21 24 5 3 2 2 6 3 2 2 4 10 15 4 3 3 7 12 10 6 9 7 5 1 2 5 3 14 1 3 4 3 11 16 48 29 18 8 1 10 15 15 17 28 9 4 2 3 20 1 1 4 1 1 2 2 2 1 1 0 1 1 2 2 12 9 17 8 10 5 3 2 4 4 4 14 37 8 14 9 6 5 6 2 3 5 3 3 2 4 3 11 32 4 16 5 6 15 21 5 12 13 16 33 41 33 23 15 8 20 6 21 26 28 9 6 6 6 4 5 5 13 51 82 41 27 100 24 19 6 4 18 5 1 1 1 0 1 1 0 5 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 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 1 0 1 0 0 1 1 0 0 0 1 2 1 2 2 3 1 8 26 20 2 3 4 2 10 15 19 23 17 20 58 16 4 4 5 3 3 1 0 1 0 1 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 0 0 0; 1HNMR: 72 71 dt 2H J 9 85 \| 68 68 m 2H \| 44 44 d 2H J 9 \| 38 38 s 3H \| 37 37 s 3H \| 36 36 s 3H \| 35 35 m 4H \| 27 26 t 2H J 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(CO)CCO	ir: 6 3 0 3 6 3 1 4 6 3 3 4 7 3 3 9 6 8 13 15 20 11 4 13 7 2 2 4 5 2 2 5 5 1 2 5 4 1 2 6 4 1 3 6 4 1 2 5 4 0 3 5 3 1 4 6 3 0 3 5 3 0 3 5 2 1 4 5 2 1 3 5 3 1 4 5 2 2 4 5 3 2 5 5 4 3 7 9 17 8 16 12 10 22 11 38 22 21 18 6 5 4 5 4 2 4 5 3 1 3 6 4 1 3 5 3 1 3 5 3 1 4 5 2 1 3 5 2 1 4 5 2 2 3 4 2 1 4 4 2 1 4 4 1 2 4 4 1 2 4 4 2 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 0 2 5 3 0 3 5 2 0 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 1 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 3 2 2 4 4 2 3 5 4 2 4 6 4 3 4 6 4 2 4 7 4 7 27 72 64 100 16 16 13 3 9 6 3 2 4 5 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1; 1HNMR: 37 36 m 2H \| 36 35 ddt 1H J 53 62 113 \| 35 34 ddd 1H J 50 57 114 \| 32 32 m 1H \| 25 24 t 1H J 57 \| 18 16 m 1H \| 16 14 m 2H \| 14 12 m 4H \| 9 9 t 3H J 75	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CC(OC(=O)c2ccccc2)CC(C)(C)N1OC(=O)c1ccccc1	ir: 5 3 4 2 2 1 1 1 1 1 1 2 14 7 3 1 0 0 1 0 1 2 1 1 0 1 1 0 1 6 15 10 4 2 1 1 1 1 3 1 1 24 3 4 3 4 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 1 3 3 1 1 1 6 8 1 0 1 2 1 1 1 1 7 1 1 1 1 1 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 3 2 4 3 6 8 5 5 4 29 8 2 3 3 2 13 9 4 1 1 2 1 1 1 4 4 10 9 3 2 1 2 2 7 9 100 16 20 49 25 1 2 1 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 2 1 2 8 10 9 26 30 18 2 3 3 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 m 5H \| 77 76 ddt 1H J 13 71 80 \| 76 75 m 3H \| 75 74 m 2H \| 53 52 p 1H J 43 \| 21 20 dd 2H J 43 129 \| 19 18 dd 2H J 42 130 \| 13 13 s 5H \| 12 12 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1ccc2nnc(-c3cccs3)n2n1	ir: 3 3 0 1 2 1 1 3 5 2 0 9 3 12 5 2 4 38 5 8 3 1 2 2 1 1 1 1 1 1 2 19 2 4 1 4 2 0 11 13 7 7 1 2 2 1 1 2 2 0 2 17 7 16 86 21 2 3 13 19 4 2 2 15 2 2 1 1 1 2 2 1 1 1 1 2 2 1 1 1 2 3 2 1 1 1 2 3 8 5 2 2 2 2 4 7 3 3 3 6 2 3 2 1 3 4 8 6 15 6 3 1 1 2 7 5 2 1 2 6 8 2 1 1 1 5 3 2 2 2 2 1 0 99 7 3 3 2 12 42 3 3 100 5 2 1 1 2 2 2 7 6 5 2 2 1 2 2 10 2 1 2 1 1 1 2 1 1 2 14 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 2 2 2 1 1 2 1 2 5 15 58 19 13 13 7 7 2 1 1 2 1 2 2 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 80 d 1H J 93 \| 78 78 dd 1H J 16 62 \| 77 76 dd 1H J 17 50 \| 74 74 d 1H J 93 \| 73 73 dd 1H J 50 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cnc(N2CCOCC2)nc1C1CCCCC1	ir: 5 8 2 2 3 4 3 8 2 4 5 4 2 2 2 1 2 3 6 5 8 10 3 3 1 1 1 2 4 8 10 13 2 4 2 8 6 22 14 80 100 18 5 5 4 1 2 2 1 1 1 1 2 2 3 5 7 3 5 2 2 2 1 1 4 1 1 2 1 1 1 2 7 8 9 4 4 2 1 1 6 2 1 1 1 3 2 1 2 1 1 1 4 2 6 1 1 2 2 1 2 2 2 2 6 4 8 4 6 6 16 15 4 5 7 5 6 5 4 3 2 3 4 6 2 4 20 9 27 7 3 2 2 4 2 4 4 4 5 13 7 3 13 8 10 17 48 23 74 46 34 21 4 3 1 2 2 4 23 20 10 7 2 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 2 3 3 2 3 3 4 2 2 4 11 8 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 s 1H \| 39 38 m 7H \| 38 37 m 4H \| 34 33 p 1H J 60 \| 21 20 m 2H \| 18 16 m 4H \| 16 14 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(-c2ccnc(N)n2)sc2ccc(C#N)cc12	ir: 4 1 1 3 2 3 2 2 3 3 2 5 4 3 4 5 5 3 4 1 3 5 4 2 2 2 2 2 1 2 2 2 6 2 9 22 15 20 20 5 4 3 5 6 13 5 3 4 2 3 3 1 8 3 6 3 1 1 2 3 1 1 2 1 1 2 5 5 3 3 3 7 6 9 4 4 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 3 2 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 3 0 1 2 2 1 2 2 1 1 2 1 2 3 3 1 2 2 1 4 4 5 3 10 4 4 6 9 6 21 36 28 6 100 17 10 4 5 6 2 0 20 7 2 0 1 2 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 4 2 1 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 2 2 2 1 6 9 7 4 2 2 1 1 1 1 1 1 1 1 1 0 1 2 2 9 8 3 2 2 2 2 1 0 1 2 1 20 89 10 1 1 1 0 1 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 d 1H J 38 \| 82 82 d 1H J 22 \| 81 80 d 1H J 64 \| 77 77 dd 1H J 22 64 \| 72 72 d 1H J 40 \| 64 64 s 2H \| 26 25 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

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