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DeerEyeRain
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train · 715k rows

Output stringlengths 5 127	Input stringlengths 850 1.64k	Instruction stringclasses 1 value
CCC1CCC(C2CCC(O)CC2)CC1	ir: 4 7 1 2 2 3 1 1 2 2 2 2 1 1 1 2 1 1 1 0 1 0 1 1 2 1 2 1 1 1 1 2 2 2 1 0 1 1 1 1 1 2 2 1 2 4 2 2 1 0 0 1 1 2 3 7 2 4 2 1 1 1 0 0 1 0 1 3 4 3 1 2 4 2 1 2 5 5 3 1 4 10 16 22 38 100 20 16 5 2 4 2 1 1 3 2 1 1 2 2 1 3 6 2 5 11 9 7 7 9 19 6 4 3 6 7 6 8 8 3 3 5 3 5 5 5 6 2 2 2 2 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 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 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 1 0 0 0 1 0 0 1 1 0 1 1 1 1 2 2 2 3 6 7 3 5 2 5 8 4 7 27 14 4 3 3 1 1 2 2 2 1 7 21 37 5 2 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 38 37 pd 1H J 47 58 \| 28 28 d 1H J 48 \| 18 12 m 21H \| 9 8 td 3H J 10 74	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1nc(Nc2cc(C)n[nH]2)cc(N2CCOCC2)n1	ir: 2 2 0 2 3 3 4 3 9 4 7 3 4 7 7 2 4 1 0 1 1 1 1 1 4 8 4 3 3 2 3 3 1 1 0 1 1 0 2 1 1 0 1 2 1 0 1 2 3 16 22 3 4 7 27 23 4 2 2 3 2 1 10 11 13 8 9 5 2 2 2 3 7 21 8 6 3 1 1 1 1 1 1 1 1 3 3 1 0 1 1 1 2 7 5 3 2 2 2 2 2 1 2 1 1 4 4 2 3 2 34 21 3 3 2 2 2 5 6 1 1 1 3 4 7 3 1 2 1 5 4 6 8 2 3 1 1 2 13 12 1 1 15 9 36 30 23 2 2 5 2 0 1 1 1 0 1 1 4 2 3 1 5 32 100 7 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 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 2 1 1 1 2 2 1 1 2 3 1 3 16 12 4 2 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 4 2 6 34 24 7 14 9 3 4 4 2 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 91 91 s 1H \| 79 79 s 1H \| 59 59 s 1H \| 57 57 s 1H \| 38 38 dd 4H J 49 56 \| 36 36 dd 4H J 48 56 \| 26 26 s 3H \| 23 23 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC(c1nccs1)N1CCN2CCC[C@@H]2C1	ir: 2 2 1 1 3 1 1 2 2 2 0 1 1 1 0 1 1 1 0 2 2 1 0 1 1 2 1 1 2 3 1 1 1 5 2 1 1 1 1 2 4 7 3 8 7 3 4 6 4 4 7 15 3 1 1 2 1 1 2 3 5 5 2 4 2 3 6 4 3 5 5 7 3 2 11 6 2 2 2 5 16 3 13 12 6 11 9 10 11 2 6 5 8 5 4 3 6 6 17 3 4 16 10 14 22 9 9 6 7 7 9 12 7 5 12 4 6 3 6 6 3 4 2 7 5 5 6 7 4 29 8 5 2 3 2 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 6 9 14 10 10 5 8 7 5 5 10 22 4 14 100 23 22 9 2 2 1 1 1 1 1 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 1 1 0 1 1 1 0; 1HNMR: 78 78 d 1H J 46 \| 72 72 d 1H J 46 \| 50 49 s 1H \| 32 31 ddd 1H J 25 50 108 \| 31 30 m 2H \| 30 29 m 2H \| 30 29 m 1H \| 29 28 dddd 2H J 17 32 51 87 \| 28 27 m 1H \| 19 18 m 1H \| 18 17 ddddd 1H J 19 33 51 70 121 \| 17 16 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(C(=O)NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1	ir: 20 12 8 13 27 8 14 10 10 14 26 9 16 9 6 8 15 13 9 8 10 33 13 31 7 9 11 6 7 7 10 22 21 70 42 7 9 10 6 4 4 6 7 5 4 5 9 5 4 8 8 4 4 5 6 6 5 8 6 6 8 7 5 6 11 67 51 21 12 6 6 5 4 7 6 6 5 5 4 4 5 5 4 5 13 100 13 7 5 8 9 40 74 17 5 4 8 7 0 44 30 7 7 5 5 9 11 15 9 10 16 7 12 5 30 9 12 12 21 27 10 8 25 25 15 8 15 28 95 38 23 24 12 16 18 21 58 42 32 8 8 6 6 4 4 6 9 10 8 7 7 39 7 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 3 4 4 4 4 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 6 5 5 6 6 7 6 5 5 6 5 15 8 23 6 17 81 26 27 8 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 23 10 18 25 37 9 10 8 10 6 5 8 4 4 4 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4; 1HNMR: 81 81 d 2H J 22 \| 81 81 dd 1H J 18 26 \| 80 79 s 1H \| 38 37 ddd 2H J 61 89 124 \| 36 35 ddd 2H J 62 89 124 \| 27 26 p 1H J 52 \| 21 20 dddd 2H J 52 60 88 134 \| 19 18 m 2H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(Nn2cncn2)cc1	ir: 7 8 2 5 32 15 5 10 25 15 3 4 5 3 2 2 2 2 2 2 2 1 3 3 2 3 5 5 2 3 3 5 9 19 32 35 33 13 9 24 6 6 3 3 2 3 7 4 10 3 4 2 4 8 34 98 100 53 15 22 14 9 3 3 16 10 3 4 3 19 4 2 2 5 7 2 2 2 2 1 2 2 1 2 4 8 17 18 21 7 3 3 2 6 8 6 22 24 19 19 13 3 6 8 47 14 2 2 1 1 2 1 2 4 2 2 2 2 2 2 3 3 7 6 2 3 7 16 9 3 8 5 1 3 3 2 2 3 3 1 1 2 3 1 1 8 17 63 17 0 2 7 9 6 2 4 2 1 1 2 1 10 3 2 2 1 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 2 1 2 2 2 2 4 4 5 25 24 36 53 52 28 6 4 5 3 2 3 2 2 1 1 2 1 2 2 2 2 2 2 6 6 20 42 26 7 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 \| 83 83 d 1H J 18 \| 81 80 d 1H J 16 \| 76 75 m 2H \| 75 74 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2cc(N3CCN(C4CCC(c5c[nH]c6ccc(F)cc56)CC4)CC3)ccc2c1	ir: 4 7 4 5 5 2 2 3 4 4 5 7 5 2 2 2 3 2 2 4 20 8 4 3 4 32 13 6 2 2 3 6 3 2 5 7 3 2 1 5 2 0 2 2 2 1 3 3 2 3 2 4 29 43 32 5 5 3 4 1 3 4 12 8 8 6 11 35 14 15 10 8 4 2 3 3 2 1 5 3 2 3 5 29 23 5 5 3 4 4 5 3 1 3 4 7 5 10 5 8 11 6 19 7 51 11 10 7 13 7 5 3 2 2 4 3 1 2 5 2 2 5 5 5 1 3 4 3 3 3 8 7 3 4 3 2 1 3 3 4 6 37 34 14 10 5 4 0 0 3 3 0 6 20 44 18 6 12 39 17 2 2 3 3 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 2 1 2 2 2 3 4 4 3 3 2 3 4 5 5 8 13 21 100 77 2 42 23 6 3 8 8 3 1 2 2 1 1 2 2 1 0 2 3 1 1 3 6 30 21 3 3 2 1 2 2 1 1 2 2 0 1 3 17 5 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 0 1 2 1 1 1 2 1 1 1 2 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 1 0; 1HNMR: 87 86 d 1H J 72 \| 77 76 m 2H \| 74 73 m 3H \| 71 71 m 2H \| 71 70 m 2H \| 70 69 dd 1H J 25 89 \| 39 38 s 2H \| 33 33 m 4H \| 29 28 m 1H \| 28 28 s 1H \| 28 28 m 3H \| 27 26 p 1H J 58 \| 21 20 m 2H \| 18 17 m 4H \| 15 14 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CCc1ccc(CN2CCCC2)cc1)C(=O)c1ccc(-c2ccc(Cl)cc2)cc1	ir: 0 2 2 1 4 3 3 1 1 2 4 5 6 13 2 2 0 2 2 1 0 1 3 1 1 1 1 1 1 1 1 1 2 3 3 2 6 21 16 8 18 7 4 5 3 3 2 1 3 6 6 4 11 51 26 20 16 12 6 1 2 3 2 3 2 3 2 1 10 4 4 2 1 1 1 1 2 3 13 8 8 3 3 4 4 7 7 5 2 4 2 2 3 3 5 10 6 7 3 2 4 2 5 1 3 7 26 8 7 4 3 7 4 3 3 2 0 2 5 6 10 6 3 16 26 34 30 11 3 3 4 9 5 4 3 3 1 1 1 2 2 6 9 88 21 17 10 15 10 4 7 6 6 5 1 1 2 1 1 1 1 1 0 1 2 1 0 1 1 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 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 2 1 1 2 2 2 2 5 2 1 2 6 2 5 28 24 100 43 37 11 11 6 5 5 2 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 79 78 m 2H \| 77 77 m 2H \| 75 75 d 4H J 8 \| 72 72 dq 2H J 12 88 \| 71 71 dt 2H J 9 84 \| 36 35 d 2H J 10 \| 35 35 t 2H J 60 \| 35 34 q 2H J 75 \| 29 29 tt 2H J 9 60 \| 28 28 m 4H \| 19 18 p 4H J 19 \| 13 12 t 3H J 74	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)/C=C(/C)C(F)(F)F	ir: 5 8 10 5 0 5 10 7 3 6 10 4 2 10 12 4 2 24 28 6 6 7 29 16 3 7 7 2 3 12 12 3 3 8 7 3 3 8 6 2 4 8 6 1 4 8 6 1 4 9 5 1 5 9 6 0 5 10 5 1 5 10 5 1 6 10 6 3 8 20 11 3 7 10 5 3 11 33 53 20 13 10 6 3 7 7 3 3 8 6 2 3 7 8 4 4 7 47 18 58 100 10 6 6 9 18 20 50 47 21 3 6 9 6 1 7 14 8 2 9 12 11 10 14 14 7 4 10 19 43 24 14 15 6 4 8 9 4 2 7 7 3 9 92 65 9 4 7 7 4 4 8 7 3 4 8 6 11 44 12 7 2 5 9 5 1 5 9 5 1 5 9 5 1 5 9 5 2 5 8 4 1 6 8 4 2 6 8 4 2 6 7 3 2 6 7 3 3 7 7 3 3 7 6 3 3 7 6 2 4 7 6 2 4 8 6 2 4 8 5 2 4 8 5 1 4 8 5 1 5 8 5 2 5 8 4 2 5 8 4 2 6 8 4 2 6 7 4 3 6 7 3 3 6 7 3 3 6 7 3 3 7 6 3 3 7 6 3 4 8 10 3 4 8 6 2 6 9 7 4 7 10 9 8 19 47 28 2 7 9 6 3 6 8 5 3 6 9 4 3 6 7 4 3 6 7 4 3 6 7 4 3 6 6 3 3 6 6 3 4 7 6 3 4 7 6 3 4 7 6 2 4 7 5 2 4 7 5 2 5 8 5 2 5 8 5 2 5 7 4 2 5 7 4 3 5 7 4 3 6 7 4 3 6 6 4 3 6 6 3 3 6 6 3 4 6 6 3 4 7 6 3 4 7 5 3 4 7 5 3 4 7 5 2 5 7 5 2 5 7; 1HNMR: 65 65 dh 1H J 12 25 \| 22 22 d 3H J 11 \| 20 20 p 3H J 11	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1cc2ncc(Cl)cn2n1)N1CCn2cccc2C1	ir: 5 3 1 3 3 4 0 2 4 5 4 3 3 4 3 7 4 33 24 25 23 32 3 16 5 2 5 10 20 3 2 5 12 4 2 4 3 1 3 3 3 6 15 52 23 24 26 27 12 1 4 6 4 3 6 7 3 2 3 5 4 2 7 29 48 4 12 12 6 2 3 6 12 16 67 60 5 0 11 10 5 1 3 3 1 2 2 3 4 10 16 20 27 12 12 14 18 11 12 7 2 23 8 5 4 4 4 4 3 3 3 3 1 5 4 6 1 5 11 8 8 11 45 76 14 14 8 10 76 32 12 3 2 3 6 3 4 7 5 2 2 8 40 19 41 6 5 1 3 10 59 23 49 14 4 24 9 2 4 1 2 10 2 2 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 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 3 4 5 4 4 2 3 3 2 6 11 12 23 16 14 21 40 62 100 40 18 6 7 3 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1; 1HNMR: 91 91 d 1H J 13 \| 84 84 d 1H J 15 \| 69 68 s 1H \| 67 67 ddt 1H J 9 18 51 \| 63 63 ddt 1H J 9 17 70 \| 60 60 dd 1H J 49 71 \| 45 45 d 2H J 10 \| 41 40 m 2H \| 37 36 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C#N)C[C@]1(c2ccc(F)cc2)CCN([C@@H](C)c2ccc(Br)cc2)C(=O)O1	ir: 5 3 4 5 7 17 14 14 12 14 9 4 8 7 14 17 21 12 14 6 8 3 4 3 6 5 3 3 4 2 3 4 4 5 14 9 8 5 3 2 2 3 3 4 3 2 3 3 4 2 4 8 20 17 75 53 21 13 4 5 6 8 4 2 3 3 4 3 8 33 5 3 5 3 5 2 2 3 3 4 3 4 3 3 3 3 6 6 5 7 23 17 5 4 3 12 25 5 9 5 3 4 4 4 4 5 4 6 7 6 6 10 5 9 3 6 8 9 13 7 24 16 17 15 8 8 8 9 9 14 10 6 5 5 7 11 18 35 8 7 3 5 3 3 4 6 22 15 23 42 53 6 9 7 3 2 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 1 2 3 2 1 3 5 1 12 6 0 3 3 2 1 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 2 3 5 6 3 3 5 7 3 12 15 13 11 83 100 54 14 13 2 8 3 4 3 3 3 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 75 74 m 2H \| 73 73 m 2H \| 73 72 m 2H \| 71 70 m 2H \| 49 48 m 1H \| 35 34 ddd 1H J 40 67 125 \| 33 32 m 2H \| 25 25 d 2H J 62 \| 24 23 ddd 1H J 40 68 137 \| 22 21 ddd 1H J 39 66 137 \| 15 14 d 3H J 71 \| 14 13 d 3H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1ncn([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)n1	ir: 12 17 20 6 1 3 8 13 12 8 4 9 8 6 17 19 14 25 8 6 4 6 6 2 1 3 2 3 5 6 1 2 2 1 5 33 14 5 3 1 2 2 2 1 2 3 3 5 13 7 1 2 2 3 2 3 3 2 2 1 2 4 3 3 3 4 3 5 4 6 8 9 8 3 6 20 18 16 6 8 8 15 4 4 4 9 19 21 10 16 46 42 5 6 5 10 9 7 12 8 12 12 12 8 4 3 3 3 3 2 3 6 8 7 2 2 2 2 2 2 2 3 4 4 2 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 2 3 2 1 1 1 1 1 1 1 1 1 1 3 17 13 10 3 2 3 2 1 3 15 11 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 2 2 2 2 2 2 3 3 3 3 3 4 5 5 4 4 3 4 8 10 17 7 15 11 12 6 4 6 20 10 0 2 8 50 100 34 1 3 3 2 0 2 2 6 6 5 2 1 1 1 2 1 1 1 1 6 21 6 2 1 2 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 85 d 1H J 7 \| 71 70 s 2H \| 59 59 ddt 1H J 7 14 51 \| 54 54 d 1H J 59 \| 53 52 t 1H J 45 \| 52 52 d 1H J 46 \| 47 47 tdd 1H J 9 51 60 \| 42 41 dtdd 1H J 8 18 37 68 \| 41 40 qt 1H J 11 36 \| 39 38 dddd 1H J 17 35 44 121 \| 36 35 dddd 1H J 18 36 46 123	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(Cc2ccccc2-c2cc(C(N)=O)c(NC(N)=O)s2)CC1	ir: 2 1 1 1 1 1 1 2 3 9 10 5 4 6 14 7 32 8 3 6 2 2 2 4 27 4 3 3 1 1 1 1 3 15 8 1 1 1 1 2 1 2 12 14 8 2 2 2 2 6 1 2 2 4 3 11 17 36 12 7 4 9 2 1 2 1 1 4 4 1 2 2 2 1 3 4 6 6 4 10 12 1 2 1 3 13 4 2 0 1 3 2 1 1 2 2 7 3 4 9 1 1 4 1 1 2 2 1 1 1 1 1 0 1 1 2 0 2 1 1 4 1 1 1 0 1 1 0 1 1 1 0 0 1 1 2 3 3 1 5 3 3 2 1 2 2 3 4 8 19 2 1 1 1 2 4 6 20 100 21 4 3 1 1 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 1 1 0 0 0 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 2 1 0 1 1 2 3 3 15 12 4 1 2 0 0 1 1 1 1 1 1 1 0 1 1 30 51 4 3 2 3 46 13 3 1 1 2 7 48 71 3 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 99 98 s 1H \| 78 77 s 1H \| 77 76 m 1H \| 74 73 m 3H \| 70 70 s 2H \| 64 63 s 2H \| 38 38 d 2H J 7 \| 27 27 m 4H \| 25 24 m 4H \| 24 23 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCC(=O)CP(=O)(OC)OC	ir: 7 7 7 7 7 8 11 15 8 6 5 5 5 5 5 5 5 5 5 6 6 8 5 6 5 5 5 5 5 5 5 5 5 5 8 12 6 6 6 6 6 19 45 9 12 10 26 24 14 7 7 6 6 5 5 14 10 7 6 6 5 5 6 7 5 6 21 100 12 40 17 10 10 22 18 10 6 12 40 18 9 68 16 0 8 8 23 5 7 6 3 5 11 9 5 5 6 5 5 5 5 5 5 5 6 6 8 10 16 12 8 35 13 13 11 10 6 15 12 7 11 22 7 7 13 17 7 8 18 10 7 23 10 6 6 5 6 7 6 6 25 32 4 6 7 5 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 5 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 6 6 6 7 10 11 16 18 10 8 6 6 6 7 12 28 8 6 6 5 5 5 5 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5; 1HNMR: 38 38 d 5H J 108 \| 31 30 d 2H J 119 \| 25 25 t 2H J 80 \| 16 15 m 2H \| 14 12 m 7H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1ncc2c(NC3CCOCC3)c(CNC(=O)c3ccc(C(F)(F)F)nc3C)c(C)nc21	ir: 3 3 2 6 2 2 1 9 6 3 3 2 5 7 2 3 2 4 3 3 3 8 15 11 2 13 14 7 20 29 15 9 16 3 9 11 14 8 25 15 13 55 44 19 15 39 10 6 6 13 3 1 5 6 13 13 2 3 1 3 6 0 2 3 7 3 6 7 11 17 7 7 3 4 4 2 7 6 7 9 15 2 1 1 0 0 2 2 1 4 2 3 0 23 3 3 2 6 8 3 8 2 7 4 9 2 4 4 3 4 16 30 12 8 12 9 8 5 4 7 10 12 11 5 7 4 3 4 4 4 10 2 3 3 3 5 8 7 33 3 4 10 13 31 20 4 10 24 21 16 8 4 9 13 6 8 55 62 9 49 10 7 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 1 0 0 0 0 0 0 0 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 2 4 2 1 2 2 2 3 6 12 16 7 3 14 12 4 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 3 15 9 17 54 100 18 23 8 6 6 5 2 2 2 1 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 s 1H \| 80 79 m 2H \| 76 75 dq 1H J 21 106 \| 65 64 d 1H J 77 \| 48 47 d 2H J 70 \| 44 43 q 2H J 55 \| 40 39 dp 1H J 48 75 \| 38 37 ddd 2H J 29 57 119 \| 35 34 ddd 2H J 29 57 117 \| 26 26 s 2H \| 25 25 s 2H \| 21 20 dddd 2H J 28 48 57 137 \| 18 17 dddd 2H J 28 49 55 136 \| 16 15 t 3H J 56	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2=O)cc1	ir: 3 3 5 6 7 5 9 11 4 9 18 18 11 8 5 3 3 3 4 2 6 6 5 5 3 3 1 1 1 2 1 2 2 5 3 2 2 1 2 5 2 10 4 1 2 2 3 1 3 8 14 13 14 7 29 0 18 3 2 1 6 7 10 23 5 4 2 2 2 7 3 2 3 5 1 1 1 1 1 0 1 2 9 1 2 2 2 5 4 5 4 6 8 3 1 1 2 2 2 2 3 4 3 3 2 1 3 1 2 2 2 3 9 5 17 10 13 19 17 13 2 5 6 6 6 29 10 12 6 16 18 5 3 3 2 12 21 9 6 2 3 5 4 1 1 3 3 4 38 76 100 14 50 3 2 4 2 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 2 1 1 2 4 3 2 3 4 2 5 2 4 1 2 4 6 38 11 12 20 31 20 12 4 3 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 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 0 0 1 1 0 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: 74 74 m 2H \| 69 69 m 2H \| 40 40 s 2H \| 40 39 m 2H \| 38 38 s 3H \| 37 36 m 2H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1cccc(-c2cccc(C(C)(C)C)c2OCc2ccccc2)c1	ir: 1 1 1 0 0 1 1 3 1 1 2 2 1 1 1 1 1 0 1 6 2 3 1 1 1 1 1 0 1 3 5 3 5 19 7 3 2 1 2 4 100 9 3 0 2 1 3 26 9 2 1 1 0 1 1 0 0 1 1 1 1 1 2 1 1 3 2 2 9 11 4 2 1 0 1 1 1 1 1 1 2 2 2 2 0 1 1 1 3 7 0 1 0 1 1 2 2 2 2 1 0 0 0 0 0 0 1 1 2 1 1 1 0 1 1 1 2 1 3 1 2 2 3 2 5 9 14 2 2 2 1 1 1 1 2 22 2 26 6 3 7 7 10 80 11 4 2 6 1 0 0 4 2 1 1 1 1 1 1 2 2 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 0 0 0 1 0 0 0 1 1 1 1 1 1 0 1 2 1 0 1 3 4 5 12 8 9 45 41 8 3 3 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 t 1H J 21 \| 77 76 t 1H J 78 \| 76 75 ddd 1H J 13 20 79 \| 75 74 m 5H \| 74 73 m 2H \| 73 72 m 3H \| 51 51 d 2H J 9 \| 27 26 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)C1(c2cc(F)c(OS(=O)(=O)C(F)(F)F)c(F)c2)CC1	ir: 0 4 7 5 3 6 13 25 22 24 2 15 47 17 10 5 1 1 2 1 1 2 2 18 5 6 4 7 5 5 2 1 1 1 1 1 1 3 3 1 5 3 3 9 8 2 2 1 2 13 14 10 6 1 22 4 2 2 1 3 1 1 1 2 1 3 19 11 10 15 39 21 4 2 1 3 2 1 0 1 1 1 1 1 15 100 93 5 2 15 15 1 2 2 7 30 21 26 19 2 2 1 0 1 0 1 2 1 4 2 1 1 1 0 0 1 1 1 2 3 4 7 8 12 13 2 1 2 4 3 1 1 2 1 1 1 1 4 11 1 2 1 2 1 5 35 3 2 2 1 4 3 4 1 2 5 2 2 1 8 6 8 6 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 4 3 2 2 2 7 39 13 7 10 9 3 4 2 1 1 1 1 1 1 1 1 1 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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; 1HNMR: 71 70 m 2H \| 37 37 s 3H \| 17 16 m 2H \| 14 14 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1sc(C)c2c1C[C@@H]1[C@H]2C1(C)C	ir: 11 5 7 10 20 7 1 5 8 16 1 10 8 11 5 11 9 4 2 5 9 13 20 7 7 4 5 14 7 2 3 10 7 2 3 7 8 4 3 7 14 3 7 8 6 2 4 7 5 2 4 10 5 1 4 8 5 1 5 9 9 1 5 8 7 6 7 15 10 4 7 9 5 5 7 10 5 26 11 8 3 3 7 15 10 2 7 7 2 3 6 6 7 4 6 9 4 4 8 5 2 4 9 6 2 5 8 5 2 9 16 7 4 7 11 8 5 10 14 7 75 61 25 5 3 8 9 6 4 12 15 4 2 8 8 3 2 6 12 8 0 100 4 24 0 7 7 4 5 8 6 4 14 34 10 2 3 7 6 2 4 7 5 1 4 7 4 1 4 7 4 1 4 7 4 1 4 7 4 1 5 7 4 2 5 6 3 2 5 6 3 2 5 6 3 2 5 6 3 3 6 6 2 3 6 5 2 3 6 5 2 3 6 5 2 3 6 5 2 4 7 4 2 4 7 4 1 4 7 4 1 4 7 4 2 4 7 4 2 5 7 4 2 5 6 3 2 5 6 3 3 5 6 3 3 5 5 3 3 6 5 3 3 6 5 3 3 6 6 5 6 8 5 2 5 10 12 6 6 8 6 6 7 18 33 6 17 21 9 3 5 7 4 2 5 7 4 2 5 6 4 2 5 6 3 2 5 6 3 3 5 5 3 3 5 5 3 3 6 5 3 3 6 5 2 3 6 5 2 4 6 5 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 5 6 4 2 5 6 3 3 5 6 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 6 5 3 4 6 5 2 4 6 4 2 4 6 4 2 4 6 4 2; 1HNMR: 44 43 q 2H J 63 \| 32 31 dd 1H J 41 149 \| 29 28 dd 1H J 60 148 \| 27 26 dh 1H J 15 59 \| 23 23 s 2H \| 18 17 dtp 1H J 15 44 71 \| 14 13 t 3H J 63 \| 11 10 t 3H J 16 \| 10 10 t 3H J 16	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1c(O)cc(C(=O)O)cc1Cl	ir: 1 2 1 5 3 7 6 10 4 3 3 2 5 5 5 5 10 4 1 5 7 23 48 32 3 2 3 2 5 4 1 1 1 1 3 2 2 1 5 4 7 2 2 1 1 1 1 1 2 2 1 2 2 1 1 1 1 2 2 2 1 0 1 1 1 1 2 1 4 4 3 2 1 1 1 1 6 8 10 14 5 2 1 4 6 11 23 24 9 2 1 1 0 0 1 1 0 1 1 2 0 1 8 9 0 1 1 1 0 1 1 1 0 1 1 1 0 5 12 1 1 1 1 1 5 2 4 1 0 1 1 0 0 1 1 2 3 3 1 0 0 1 1 1 3 22 16 1 1 4 3 12 11 30 19 30 21 2 4 3 1 1 3 4 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 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 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 2 1 1 1 1 1 2 1 1 0 1 1 1 0 1 1 1 1 1 2 2 4 11 15 10 1 2 2 3 4 57 27 100 24 4 1 1 1 1 1 1 35 13 5 1 1 1 1 1 1 1 1 1 3 14 6 3 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 93 93 s 1H \| 77 77 d 1H J 22 \| 72 72 d 1H J 22 \| 50 50 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccc(CCc2ccc(OC(F)F)cc2)cc1	ir: 1 2 3 2 5 10 9 3 3 5 4 4 5 18 22 23 8 12 11 8 5 3 1 1 1 1 2 1 1 1 0 0 3 4 2 4 5 6 1 2 2 1 1 3 1 1 3 3 3 1 16 18 73 74 61 91 31 16 18 3 31 64 18 3 7 8 2 0 5 42 5 10 14 20 68 43 15 5 4 4 4 4 1 1 3 4 27 51 17 4 2 1 3 3 3 5 22 24 11 6 2 2 0 1 2 3 2 2 3 4 3 9 17 7 12 11 4 6 3 5 6 6 2 3 7 3 7 4 5 1 2 1 1 1 0 1 1 1 0 1 1 1 0 2 4 4 32 19 66 10 6 10 10 5 3 3 2 1 1 1 1 31 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 1 1 1 1 0 0 0 1 0 1 1 1 1 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 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 4 2 2 2 3 2 3 3 7 2 1 3 2 12 14 15 39 55 54 100 23 13 7 6 4 4 4 2 1 2 1 1 1 1 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 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 1 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 70 70 m 7H \| 68 67 m 2H \| 66 66 s 0H \| 41 40 q 2H J 66 \| 29 29 s 4H \| 15 14 t 3H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCOc1ccc(C)c2c1C(=O)C1CCCCC21	ir: 1 5 4 9 11 2 5 6 5 12 2 1 1 3 4 2 1 4 4 3 6 3 4 3 3 3 5 2 8 8 4 3 5 6 2 1 2 3 6 6 3 5 2 7 4 3 2 2 1 1 1 7 13 72 15 2 6 7 2 2 6 3 12 19 10 6 12 5 6 10 22 8 7 2 3 2 2 3 1 1 3 2 1 3 16 4 1 4 3 2 1 1 4 2 2 4 7 9 2 2 2 1 1 1 6 12 4 3 3 20 4 2 13 6 16 18 4 7 6 11 6 4 2 4 2 4 1 2 2 2 1 2 2 2 3 3 22 9 8 5 5 5 5 6 100 1 2 3 2 0 15 2 5 36 5 2 3 2 2 4 17 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 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 2 3 6 4 7 5 9 12 21 4 9 10 4 18 65 31 13 15 4 10 8 11 2 3 3 1 0 1 2 1 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 71 71 dq 1H J 10 92 \| 69 68 d 1H J 93 \| 61 60 ddt 1H J 55 112 168 \| 54 53 m 1H \| 53 52 ddt 1H J 13 24 169 \| 47 46 dt 2H J 14 55 \| 32 31 ddd 2H J 19 29 48 \| 23 23 d 3H J 10 \| 22 20 m 2H \| 18 16 m 4H \| 16 15 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N[C@@H]1CCC[C@H]1c1ccccc1	ir: 0 2 2 3 1 1 1 1 1 1 1 2 5 5 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 18 38 3 1 1 2 2 1 6 37 85 19 4 1 2 3 2 0 1 1 1 1 2 5 19 30 10 9 12 36 41 12 5 2 9 5 4 5 6 2 4 2 7 5 29 12 21 8 4 5 4 7 22 4 1 1 3 3 3 3 1 1 3 1 2 1 2 2 4 2 2 2 2 3 3 5 2 2 3 2 1 2 1 5 3 2 2 1 2 1 2 3 9 12 19 12 7 24 19 4 1 8 26 55 70 73 23 2 2 3 2 1 3 8 8 2 4 1 1 1 1 1 6 2 1 1 1 1 1 2 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 1 2 3 4 3 4 9 8 3 7 40 12 5 1 1 1 1 2 2 3 4 5 12 47 67 41 7 14 7 9 10 0 100 32 3 3 4 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 73 72 m 5H \| 34 33 ddtq 1H J 19 39 56 75 \| 29 28 ddddt 1H J 8 18 27 47 63 \| 20 19 m 1H \| 19 16 m 5H \| 11 10 d 2H J 57	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1C[C@@H](NCc2ccccc2)CCO1	ir: 0 1 1 2 1 2 1 1 1 1 1 1 3 4 1 1 1 1 0 1 1 1 1 1 1 1 4 6 8 9 18 10 7 6 5 4 7 4 16 52 28 9 10 23 10 5 4 4 3 1 1 2 4 1 5 8 17 7 7 2 2 2 1 1 1 4 8 2 7 6 2 2 2 5 2 3 4 8 8 1 2 5 4 3 1 1 1 1 3 6 0 1 2 1 1 2 2 3 7 3 3 1 2 6 4 3 29 29 0 6 4 4 3 4 10 11 8 5 3 4 6 6 3 3 2 5 1 4 6 3 9 6 3 7 3 15 9 36 22 18 5 3 6 11 8 4 4 3 1 1 1 4 4 1 0 1 1 1 0 1 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 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 1 1 1 1 2 2 3 2 3 2 1 2 2 3 1 11 13 11 60 44 22 9 2 2 2 2 2 2 2 1 1 1 3 2 1 3 9 85 100 49 15 5 4 1 1 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 2H \| 73 72 m 1H \| 72 72 ddt 2H J 9 17 73 \| 39 38 ddt 1H J 9 51 139 \| 38 37 m 3H \| 37 36 ddd 1H J 33 60 117 \| 30 30 dt 1H J 50 79 \| 30 29 ddddt 1H J 27 40 55 68 79 \| 19 17 m 2H \| 16 14 m 2H \| 11 11 d 3H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C(=O)NC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O	ir: 10 3 4 4 7 4 2 8 6 8 12 9 5 4 4 3 3 3 2 2 2 2 2 2 2 2 2 2 3 2 3 2 2 2 3 3 3 4 8 37 17 9 6 3 3 3 3 3 2 2 2 2 2 2 2 3 3 4 4 3 3 3 3 3 3 2 2 3 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 4 3 4 3 2 2 2 2 2 2 2 2 2 3 3 3 2 3 3 3 12 3 3 2 2 2 3 3 4 3 3 5 5 5 6 7 10 7 10 7 5 4 3 7 4 5 4 4 3 3 9 5 2 3 4 2 2 2 2 2 2 2 2 2 3 18 5 24 3 2 2 3 3 0 100 4 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 2 3 4 3 2 3 3 3 3 3 5 16 4 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 3 4 12 5 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 71 70 s 1H \| 38 38 ddd 2H J 37 64 134 \| 35 34 ddd 2H J 37 64 136 \| 32 32 s 3H \| 24 23 ddd 2H J 37 64 134 \| 21 21 ddd 2H J 37 65 135 \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(OC(=O)c2ccccc2)CC1	ir: 4 2 3 4 9 4 3 3 3 3 11 6 22 5 2 3 3 1 1 2 1 1 1 1 2 1 1 1 2 2 5 3 3 3 1 1 1 1 2 2 1 16 1 2 1 1 1 1 1 0 1 2 1 1 1 2 2 3 2 2 1 3 2 3 1 1 1 2 3 2 2 2 3 2 1 2 1 1 7 2 1 2 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 3 3 6 4 6 7 2 1 3 3 11 10 7 10 11 6 3 3 6 3 4 9 6 2 2 10 5 4 3 4 1 1 2 4 37 12 11 10 11 1 4 4 100 5 0 1 2 1 0 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 2 2 1 2 2 2 3 2 21 6 9 20 12 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 m 2H \| 76 75 m 1H \| 75 74 m 2H \| 51 50 p 1H J 47 \| 37 36 ddd 2H J 60 88 124 \| 34 33 ddd 2H J 61 88 124 \| 23 22 dddd 2H J 46 60 88 135 \| 21 20 dddd 2H J 46 60 88 133 \| 15 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1c(O)cccc1-c1ccccc1	ir: 2 3 3 2 2 2 2 2 3 11 8 5 8 6 3 3 3 3 4 4 3 9 7 6 3 4 5 8 7 31 38 50 18 9 6 2 2 4 5 6 6 11 11 3 3 3 3 11 7 11 3 1 2 12 8 2 2 2 2 1 2 2 2 2 2 2 2 5 7 4 3 2 2 3 3 5 6 11 13 5 8 10 6 3 2 3 3 2 2 2 3 5 10 53 20 5 6 15 12 3 2 3 2 2 3 2 2 6 7 5 10 13 3 2 4 4 5 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 5 18 11 20 6 100 65 0 3 2 4 9 6 3 2 2 6 13 10 3 3 2 12 12 7 2 2 3 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 3 7 21 28 37 10 21 53 45 5 5 3 3 34 30 4 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 76 75 m 2H \| 75 74 m 3H \| 74 73 m 2H \| 67 66 dd 1H J 11 84	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC(C)CCC[C@@H](C)OS(=O)(=O)c1ccc(C)cc1	ir: 3 3 2 3 4 5 3 4 22 29 1 25 39 5 3 4 3 2 1 2 3 2 1 4 12 4 1 3 2 2 2 8 5 2 2 3 2 2 8 8 7 8 6 4 4 1 2 5 5 2 3 5 10 18 4 3 3 3 3 3 3 2 5 6 7 7 22 9 3 4 9 11 6 3 7 8 8 4 3 4 9 6 6 2 100 16 6 5 10 2 4 5 4 21 21 4 0 3 4 3 1 2 3 2 1 3 4 3 3 2 4 4 4 5 5 4 2 3 6 11 5 4 5 5 9 11 5 3 3 3 4 3 3 3 3 2 3 4 9 5 4 3 3 2 1 4 14 29 3 6 3 1 3 4 2 1 1 3 2 1 6 5 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 3 3 2 1 4 4 2 1 3 4 4 1 6 9 14 9 36 20 24 16 5 7 6 3 3 3 3 2 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1; 1HNMR: 77 77 m 2H \| 75 74 dq 2H J 8 82 \| 57 56 m 1H \| 51 50 m 2H \| 46 45 h 1H J 69 \| 24 24 d 3H J 9 \| 23 22 dqt 1H J 23 71 82 \| 18 17 m 1H \| 15 14 m 3H \| 14 13 m 4H \| 13 12 m 1H \| 10 9 dd 3H J 10 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCS(=O)(=O)Nc1cccc(C=O)c1F	ir: 2 2 3 3 1 2 4 3 1 6 4 9 7 5 2 2 2 3 2 2 1 1 5 3 4 2 2 4 5 3 2 3 4 6 4 6 1 6 2 16 4 6 4 4 2 5 4 12 30 6 3 2 5 9 8 1 4 3 2 3 2 1 1 2 1 1 1 8 10 11 3 4 3 2 1 2 4 1 1 1 1 1 1 1 2 2 0 65 3 1 2 2 3 2 2 2 1 1 1 1 2 3 13 22 5 13 8 2 2 4 4 6 4 2 1 1 2 1 2 2 10 5 3 11 11 5 5 3 2 1 1 1 3 2 1 1 3 9 11 18 4 1 1 1 1 1 1 2 5 11 3 1 1 1 1 1 1 1 2 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 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 3 1 2 1 1 2 1 1 3 17 3 3 12 12 3 1 1 1 2 1 0 1 1 1 0 1 1 0 0 1 1 1 0 2 2 1 1 6 25 100 25 8 2 3 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0; 1HNMR: 81 80 d 1H J 38 \| 76 76 m 1H \| 73 72 m 2H \| 31 31 t 2H J 78 \| 19 17 m 2H \| 11 10 t 3H J 84	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(CN2CCN(C(C)=O)CC2)cc(NC(=O)OC(C)(C)C)n1	ir: 3 7 8 4 0 1 2 2 1 3 4 3 7 5 3 1 4 1 2 3 3 6 4 4 11 4 2 4 2 4 4 9 8 5 7 16 17 12 4 3 1 1 2 2 1 2 1 0 0 1 1 0 1 1 1 0 3 2 2 1 1 2 2 2 3 7 25 12 17 9 5 1 1 2 1 1 1 1 0 2 16 3 1 2 5 3 2 2 2 1 1 1 1 1 1 5 6 4 4 2 4 1 1 1 1 1 1 2 2 9 2 5 2 1 1 1 1 2 1 3 2 3 1 2 3 5 4 5 3 1 4 4 2 12 7 4 4 2 1 1 1 1 1 2 2 1 6 52 7 4 17 10 3 2 5 28 1 0 2 2 4 64 3 2 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 0 0 1 1 0 0 1 1 0 0 1 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 1 1 1 0 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 4 10 4 3 8 15 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 4 6 100 8 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 86 86 s 1H \| 73 73 dt 1H J 9 20 \| 64 64 dt 1H J 9 20 \| 40 39 s 3H \| 38 38 d 2H J 9 \| 35 35 m 5H \| 27 26 m 5H \| 21 21 s 3H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cn(CC(F)F)c(C)n1	ir: 3 5 9 9 3 8 16 9 1 4 7 12 2 5 11 4 56 16 5 3 1 3 4 1 1 4 5 3 1 4 4 1 1 4 4 1 2 8 8 1 3 5 5 8 3 7 6 2 3 6 9 9 4 6 4 1 4 12 5 1 3 9 7 3 8 10 10 4 8 7 7 6 15 22 100 34 10 8 10 14 20 23 26 15 15 52 73 27 9 6 1 4 9 11 6 10 25 10 3 4 7 15 5 14 11 49 2 10 8 10 9 14 13 24 43 31 32 38 38 37 37 35 56 18 33 12 11 13 22 21 38 22 15 7 14 8 6 2 3 5 4 2 6 50 8 3 1 4 3 1 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 20 8 3 0 2 5 2 0 3 5 2 0 2 4 2 0 3 4 2 1 3 4 2 1 3 4 1 1 3 3 1 1 4 3 1 1 3 3 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 5 3 0 3 5 2 1 3 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 1 2 4 4 2 3 5 4 2 2 5 5 3 6 10 13 13 12 9 9 10 15 11 13 18 18 18 19 25 76 33 13 26 33 79 24 18 8 6 3 2 4 5 3 2 3 4 2 2 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 4 2 1 2 4; 1HNMR: 78 77 t 1H J 9 \| 65 64 t 1H J 47 \| 43 42 q 2H J 64 \| 42 41 tdd 2H J 8 48 161 \| 25 24 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.
Cc1cc(C)c(NCc2nnn(C)n2)c(C)c1	ir: 3 2 0 1 1 1 2 3 5 2 3 3 1 8 4 5 7 4 5 4 6 5 2 2 4 3 3 4 7 3 19 7 2 18 11 7 8 10 3 5 1 2 1 2 0 1 1 0 0 1 0 1 0 1 1 2 2 2 6 4 2 2 16 3 1 1 1 1 2 1 2 2 12 4 1 0 0 0 1 0 0 1 0 0 0 0 0 1 1 0 1 2 1 1 0 3 1 1 7 6 5 3 1 2 2 1 2 3 1 1 3 1 2 1 1 2 2 4 7 11 23 100 7 6 4 12 27 2 4 10 4 2 4 3 0 1 1 1 6 12 86 6 4 4 2 3 4 1 2 6 8 2 1 1 1 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 1 1 1 1 1 1 1 1 3 3 3 5 4 11 60 3 2 1 2 1 1 0 0 1 1 1 1 0 0 1 1 1 0 2 1 3 5 16 26 65 15 11 6 7 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 t 1H J 49 \| 68 68 s 2H \| 48 47 d 2H J 49 \| 43 43 s 3H \| 23 22 s 3H \| 22 21 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N[C@H]1CCc2ccccc2C1	ir: 5 4 2 11 7 3 1 3 5 2 5 5 5 2 0 3 4 3 9 12 6 2 2 5 7 4 5 8 6 35 100 75 54 5 7 7 6 3 3 5 9 14 26 7 4 3 6 6 5 4 9 5 7 1 3 8 6 0 3 5 3 1 3 5 4 1 5 6 5 8 12 17 5 3 6 12 3 4 4 4 2 2 4 8 11 2 4 6 14 8 11 4 2 3 5 4 1 2 4 6 2 3 5 5 5 5 7 8 2 7 9 8 3 5 5 5 7 8 6 6 3 5 5 4 3 7 8 5 4 10 11 8 2 4 4 3 3 11 8 5 6 7 6 10 8 34 87 25 21 29 8 1 2 5 4 1 2 5 4 1 2 5 3 0 2 5 3 0 2 5 3 0 3 5 2 0 3 5 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 4 1 1 4 3 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 0 2 4 2 0 2 4 2 0 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 1 3 3 1 2 4 3 1 2 4 3 1 2 4 3 2 4 5 3 4 4 6 5 4 4 7 5 4 6 19 30 10 55 13 42 4 5 6 3 2 3 4 2 2 3 4 2 1 3 4 2 3 3 8 11 25 29 21 30 13 10 8 3 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 4 2 1 2 4 2 1 2 4 2 1; 1HNMR: 72 71 m 2H \| 71 70 m 2H \| 65 64 d 1H J 92 \| 38 37 m 1H \| 30 30 ddd 1H J 9 39 152 \| 29 28 dddd 1H J 7 60 86 154 \| 28 27 m 2H \| 21 20 dddd 1H J 34 60 88 137 \| 20 19 s 2H \| 19 18 ddt 1H J 61 86 138	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CC(Br)C(=O)O	ir: 0 0 1 1 1 1 1 1 3 9 4 12 9 6 4 2 9 8 8 36 38 100 38 19 6 8 5 2 0 2 2 1 2 2 1 0 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 0 1 2 1 0 1 3 3 3 2 1 1 1 1 1 1 1 1 3 1 1 3 5 7 10 16 26 15 9 3 4 5 2 6 7 6 8 3 2 2 3 3 1 0 1 2 3 0 1 1 2 2 3 1 1 1 2 3 1 0 2 3 1 1 1 2 3 5 4 3 2 10 3 4 2 1 1 1 1 0 1 1 1 0 1 1 0 1 3 4 5 5 17 5 3 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 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 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 1 1 1 1 3 4 3 3 3 3 3 1 0 0 1 0 0 0 1 0 0 13 17 13 7 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: 42 41 m 1H \| 21 20 m 1H \| 19 17 m 2H \| 10 9 m 3H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1c2ccccc2C(=O)N1Cc1ccc(F)c(O)c1	ir: 8 2 1 1 2 1 1 1 1 1 3 2 1 5 5 1 1 1 1 1 1 1 5 6 2 1 1 1 1 1 1 1 12 3 3 11 1 5 8 2 17 100 3 2 1 1 5 1 1 1 1 1 2 2 5 12 2 2 1 1 3 2 2 1 1 2 1 1 6 6 1 1 1 2 2 8 6 11 12 7 5 6 2 3 1 1 3 2 1 1 2 1 1 33 37 0 4 5 1 1 1 1 4 4 2 1 0 1 1 1 0 1 1 1 0 2 3 2 6 15 10 3 1 1 2 2 0 1 1 1 1 3 6 11 8 2 2 12 15 1 1 0 1 2 1 1 1 1 1 2 2 2 4 7 35 4 2 1 1 2 2 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 2 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 2 1 1 1 1 1 2 1 1 3 3 10 19 16 6 2 2 5 4 2 17 59 3 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 2 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 79 78 dd 2H J 32 51 \| 77 77 dd 2H J 31 50 \| 71 70 dd 1H J 77 101 \| 70 69 dddt 1H J 8 17 35 77 \| 68 67 ddd 1H J 8 18 33 \| 59 59 d 1H J 35 \| 53 53 d 2H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C1CN(Cc2ccccc2)CCC12OCCO2	ir: 2 1 1 0 0 0 1 1 3 1 2 3 9 7 2 2 2 1 3 3 10 100 2 3 2 5 1 2 2 1 2 5 2 1 1 1 1 1 3 9 3 2 3 3 2 1 1 0 1 1 1 0 0 0 1 1 1 1 1 1 2 2 2 4 1 1 4 2 4 2 1 1 3 2 1 1 2 2 13 5 1 12 3 1 2 2 4 3 1 6 2 3 1 1 1 1 1 3 1 3 1 3 2 1 1 2 2 2 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 2 3 1 1 1 2 1 1 1 1 1 2 4 5 2 1 1 1 1 2 14 6 2 2 1 0 1 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 0 1 0 0 2 3 1 2 6 3 3 14 5 3 2 1 0 1 1 1 8 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 5H \| 40 39 m 2H \| 39 38 m 2H \| 36 35 m 2H \| 34 33 dd 1H J 67 113 \| 31 30 d 1H J 27 \| 31 30 m 1H \| 30 29 ddd 1H J 55 66 123 \| 29 28 ddd 1H J 54 67 123 \| 21 20 ddd 2H J 14 53 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC1(C(=O)O)CC(=O)C2C(C(=O)O)C21	ir: 2 3 3 3 3 3 4 4 6 6 6 11 9 7 5 5 7 12 14 33 25 83 70 58 13 6 6 5 4 2 2 3 3 1 1 2 3 4 5 5 12 6 2 4 2 2 2 3 3 2 2 9 17 6 2 4 3 3 3 5 7 14 5 9 7 5 5 3 3 3 2 3 3 9 12 5 6 35 100 41 15 6 6 6 8 4 8 8 12 15 23 11 3 10 25 8 1 3 5 4 1 3 4 4 1 5 4 4 4 4 4 3 6 7 4 2 2 5 6 4 1 2 2 1 2 3 6 6 6 8 10 10 14 11 4 2 3 4 6 4 4 7 14 0 42 23 1 7 3 11 5 6 2 1 2 2 2 1 1 2 2 2 2 1 2 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 2 1 2 3 5 4 2 2 2 1 2 4 9 10 12 8 3 1 2 2 2 1 2 7 17 30 8 2 2 9 39 50 7 3 2 3 6 29 15 1 2 2 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 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 51 51 s 2H \| 32 31 dd 1H J 73 99 \| 31 30 m 2H \| 28 27 dd 1H J 84 99 \| 27 26 d 1H J 176	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)n1nc(Br)c2c(Nc3ncccn3)ncnc21	ir: 5 6 5 5 6 5 6 5 9 10 9 17 17 12 7 8 8 6 6 6 6 5 5 5 6 5 5 5 6 6 5 17 6 6 7 6 6 6 6 6 8 10 7 21 6 6 5 5 10 6 7 7 7 12 39 36 49 46 10 7 8 39 6 7 19 13 8 6 5 5 5 5 6 12 6 5 5 6 6 5 5 5 10 5 5 5 5 5 6 6 7 8 5 5 5 5 5 6 9 8 10 10 13 8 12 8 8 7 5 6 5 5 5 6 7 7 6 7 18 20 29 22 8 6 8 7 9 8 8 49 88 21 14 6 6 6 7 5 5 6 7 14 11 7 91 7 8 7 7 6 34 6 7 6 5 5 5 5 6 6 6 85 6 8 6 5 6 7 5 0 14 100 5 7 6 7 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 7 10 12 8 6 6 14 6 8 6 8 7 12 16 44 66 30 17 33 23 15 10 10 7 6 7 5 6 6 5 5 5 5 5 5 6 6 7 6 8 8 15 8 25 28 12 6 6 5 6 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 98 98 s 1H \| 84 84 d 2H J 42 \| 84 84 s 1H \| 67 66 t 1H J 43 \| 18 17 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C(=O)n1cnc(S(=O)(=O)N2C3CCCC2CC3)n1	ir: 0 2 8 16 0 5 4 3 0 7 7 2 1 4 52 7 4 2 3 11 6 2 2 0 1 1 1 0 0 2 5 1 0 3 3 4 39 0 1 3 6 4 4 2 3 3 2 2 1 1 18 13 2 3 5 4 18 45 12 2 2 3 2 5 2 3 3 5 5 12 2 2 2 7 3 1 6 12 62 4 4 4 10 23 100 12 6 8 23 5 6 3 27 8 3 2 6 15 6 2 2 1 2 3 4 3 12 7 16 3 15 5 60 13 4 2 5 3 1 5 6 5 3 4 8 5 3 2 6 3 2 2 2 1 1 1 1 1 1 2 2 2 2 3 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 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 3 2 1 3 3 4 4 8 8 2 3 2 6 17 34 3 2 2 1 25 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 85 85 s 1H \| 35 34 p 2H J 56 \| 31 31 s 5H \| 20 19 m 4H \| 18 16 m 6H \| 15 14 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)C(=O)Oc2ccc3cc(C#N)c(CBr)cc3c21	ir: 2 2 3 3 8 16 14 8 7 7 8 22 15 4 2 3 7 5 22 41 20 4 3 3 2 2 2 2 3 3 2 6 9 17 13 9 4 2 2 2 3 4 13 10 6 3 3 7 15 19 4 4 3 18 46 14 4 2 10 9 3 0 4 6 7 4 3 15 5 28 7 7 7 14 9 5 5 4 4 3 14 15 63 20 6 5 5 10 5 4 6 3 8 11 12 6 7 9 7 5 2 4 3 26 11 15 8 62 38 5 7 3 1 3 27 37 6 5 9 20 27 38 21 9 5 4 4 4 4 6 9 5 8 3 3 2 2 3 2 3 2 4 3 18 13 55 15 1 4 7 11 3 2 2 2 5 22 21 18 4 2 3 2 2 2 3 2 2 2 2 2 1 2 3 2 1 2 2 2 1 2 3 28 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 5 6 7 1 3 8 6 3 3 3 5 5 9 25 46 5 20 100 98 25 20 9 5 4 4 4 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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; 1HNMR: 82 82 d 1H J 19 \| 80 79 dd 1H J 21 77 \| 78 77 d 1H J 10 \| 71 70 d 1H J 77 \| 46 46 d 2H J 9 \| 17 16 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(Nc1ccc(C#N)cc1)c1cc(O)cc(CC)c1	ir: 9 5 17 11 18 6 5 5 7 6 1 11 5 24 9 15 11 5 19 11 4 21 8 6 7 4 2 5 3 3 5 8 8 9 9 17 12 10 17 6 2 1 2 2 3 3 3 2 2 3 3 0 4 5 10 7 49 7 4 4 2 7 4 5 18 15 20 11 16 3 4 5 7 4 12 2 7 7 5 6 7 16 82 62 8 2 5 6 3 3 9 10 9 6 12 5 7 5 13 3 14 2 5 4 13 11 2 4 9 2 7 2 5 12 18 6 14 9 12 10 16 19 11 4 7 7 9 3 9 10 10 6 3 1 2 2 2 4 4 9 9 2 2 4 25 5 5 21 36 10 17 3 8 6 5 4 2 1 2 7 31 20 6 3 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 0 0 0 0 0 0 0 1 1 0 0 0 1 0 1 1 1 0 0 0 0 0 0 1 1 0 1 1 1 1 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 2 2 1 2 2 2 3 2 1 2 2 2 3 5 3 4 3 5 9 19 8 39 44 27 2 6 6 4 5 14 69 42 16 2 1 2 2 1 1 2 2 1 1 4 8 24 30 100 25 15 5 2 2 3 2 3 2 2 1 3 1 1 1 2 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 1 0 0 0 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 s 1H \| 76 75 m 2H \| 72 71 ddq 1H J 8 14 22 \| 69 69 m 2H \| 67 67 td 1H J 7 22 \| 66 66 td 1H J 11 21 \| 64 64 d 1H J 86 \| 53 52 dd 1H J 9 86 \| 43 41 m 2H \| 26 25 m 2H \| 13 12 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(-c2cccc3c2C(=O)N(CCc2ccc4ccccc4n2)C3)s1	ir: 9 6 3 2 3 2 4 3 6 10 9 4 4 3 5 7 6 3 3 3 3 3 2 3 6 6 17 26 32 35 11 6 3 2 3 3 3 3 8 6 4 2 33 34 7 8 39 76 55 7 5 3 7 30 28 21 5 5 7 17 12 12 9 7 2 2 4 3 2 3 6 2 2 2 9 11 2 13 3 2 3 4 8 10 9 6 5 6 3 8 2 27 2 2 3 3 10 7 3 3 2 4 3 5 18 12 3 7 4 11 11 9 8 9 4 8 8 5 10 5 17 14 5 4 7 6 3 3 3 2 2 3 8 8 9 12 10 15 9 22 95 10 1 4 12 3 5 12 29 49 2 6 30 12 10 78 100 33 4 3 7 3 2 3 2 11 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 0 13 1 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 1 2 2 2 2 2 2 2 3 6 4 3 3 4 3 4 2 3 3 13 13 13 32 44 61 56 35 7 3 2 2 3 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 81 81 d 1H J 80 \| 81 80 m 1H \| 79 79 m 1H \| 78 77 m 2H \| 76 75 td 1H J 14 78 \| 74 74 m 2H \| 74 73 m 3H \| 44 43 d 2H J 8 \| 38 38 t 2H J 58 \| 31 30 td 2H J 9 58	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cccc(-c2cccn3nc(Nc4cccc(C(F)(F)F)c4)nc23)c1	ir: 9 4 2 8 5 14 3 5 5 6 38 5 7 3 1 6 6 3 6 7 4 3 1 5 6 6 4 15 18 16 10 26 10 17 7 5 4 1 2 3 3 2 10 11 11 3 17 26 31 12 8 16 6 5 14 69 4 2 3 4 3 0 5 7 11 4 24 23 25 17 7 4 11 6 7 16 4 5 16 7 11 7 5 5 4 2 3 4 2 7 4 4 5 22 17 6 4 5 30 17 3 3 6 5 15 7 7 14 6 4 8 14 12 11 34 13 6 9 12 13 3 7 13 7 5 10 7 8 9 9 10 4 2 4 4 7 19 27 27 40 10 8 12 10 9 18 22 17 10 4 4 3 3 9 8 3 5 23 5 2 5 3 5 3 3 4 4 3 3 3 2 1 2 2 8 1 3 4 3 1 2 3 2 2 2 3 2 1 2 3 2 2 3 3 2 1 2 3 2 2 3 2 2 2 3 2 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 1 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 3 4 4 4 4 3 4 4 5 4 7 9 8 4 9 65 37 37 47 100 80 16 18 6 6 5 3 2 3 3 3 2 3 3 3 2 2 3 2 3 3 3 3 7 34 19 5 5 3 3 4 3 2 3 3 3 2 2 3 3 2 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 1 2 3 2 1 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 3 2 2 2 3 2 2 2 3 2 1 2 3 2 1; 1HNMR: 93 93 dd 1H J 14 78 \| 88 88 s 1H \| 83 82 t 1H J 22 \| 82 81 dd 1H J 13 84 \| 81 81 ddd 1H J 12 22 81 \| 77 77 ddd 1H J 11 22 80 \| 76 75 m 2H \| 75 75 ddd 1H J 13 22 73 \| 75 74 m 2H \| 73 73 ddd 1H J 12 22 103 \| 44 44 q 2H J 64 \| 14 14 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NS(=O)(=O)c1ccc2onc(C(=O)Nc3ccc(Br)cc3C(=O)O)c2c1	ir: 10 5 6 2 4 2 9 3 8 2 4 11 9 6 6 4 1 2 4 4 3 7 8 30 14 5 1 2 2 2 4 2 1 2 5 5 9 12 11 7 27 1 1 2 2 1 1 9 5 7 6 3 3 5 10 10 6 2 1 2 1 1 6 12 1 2 2 1 4 4 2 3 2 1 2 2 2 24 13 4 27 17 5 4 11 22 32 83 18 2 6 4 4 4 3 2 8 6 4 12 5 2 6 3 0 2 2 1 0 1 3 2 3 13 4 5 4 3 31 52 4 6 4 13 3 21 11 3 0 2 1 18 3 2 5 5 1 1 1 1 1 6 8 2 2 2 4 4 3 32 8 2 3 5 7 4 56 7 2 1 1 2 8 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 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 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 1 1 1 1 1 1 1 2 3 10 47 14 6 3 4 1 1 2 4 6 100 5 3 2 2 1 2 2 26 84 15 4 3 5 74 24 3 2 3 2 1 3 4 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 88 87 d 1H J 21 \| 81 81 d 1H J 24 \| 80 80 dd 1H J 22 92 \| 78 78 d 1H J 92 \| 76 75 dd 1H J 25 83 \| 73 72 d 1H J 83 \| 64 63 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCOc1cc(Nc2ncc(Br)cn2)ccc1F	ir: 4 2 3 2 5 5 2 3 3 4 9 4 5 13 8 6 5 6 3 7 2 3 3 5 10 12 14 5 2 4 2 2 2 4 3 6 3 3 2 2 3 3 3 5 2 2 3 3 2 6 5 15 14 24 24 13 22 7 2 3 2 1 3 4 3 3 5 6 6 9 5 1 3 2 1 2 1 2 2 2 2 3 3 2 5 5 16 28 19 10 9 8 14 12 2 4 1 10 4 7 4 2 1 3 4 15 11 4 2 2 2 2 2 2 1 2 1 2 13 8 3 2 1 2 2 3 2 3 4 2 1 1 1 1 1 1 1 1 1 3 3 9 9 9 6 1 6 21 15 3 33 11 26 10 8 7 6 100 3 3 2 0 2 19 22 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 2 1 2 2 2 2 2 1 2 2 2 2 2 2 1 2 2 2 2 3 3 3 6 13 7 5 4 4 6 9 12 39 29 9 8 3 3 2 2 3 3 2 3 2 3 2 8 13 28 49 24 27 6 4 1 2 2 2 1 1 2 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 1 1 1 1 1 1 1 1; 1HNMR: 87 86 s 1H \| 84 83 s 2H \| 74 73 ddd 1H J 22 36 79 \| 71 71 dd 1H J 78 101 \| 68 68 dd 1H J 21 32 \| 41 41 t 2H J 47 \| 38 37 dt 2H J 46 62 \| 37 36 t 1H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CSc1cnc(NC(=O)N(C2CCN(C(=O)N(C)C)CC2)[C@@H]2CC[C@@H](C)CC2)s1	ir: 5 4 4 8 8 7 4 5 0 9 3 5 7 6 6 7 14 5 9 6 7 22 7 10 8 20 7 4 2 4 5 3 10 8 4 5 24 66 20 2 23 21 49 31 17 10 7 9 6 5 16 7 6 3 7 6 7 12 10 0 3 2 3 15 2 4 9 3 4 4 6 4 6 5 9 6 7 6 3 2 4 3 2 3 7 7 5 3 7 19 2 2 7 10 8 8 3 15 12 10 12 8 18 7 5 9 4 6 12 9 6 10 23 10 2 12 15 10 7 9 19 41 9 13 16 26 4 11 14 23 15 5 8 1 2 4 5 8 10 14 19 15 10 10 54 8 4 23 58 33 12 100 66 31 6 5 2 1 1 1 1 0 1 2 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 2 1 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 2 2 1 2 3 4 3 3 4 6 7 6 15 7 4 4 3 7 14 32 15 7 3 4 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 3 4 5 3 3 10 14 40 15 17 30 6 2 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 95 95 s 1H \| 82 82 s 1H \| 42 41 q 2H J 66 \| 38 38 s 2H \| 37 36 m 4H \| 34 33 ddd 2H J 59 86 119 \| 29 29 s 5H \| 21 20 ddt 2H J 59 86 119 \| 19 17 m 5H \| 17 16 dddd 2H J 47 58 84 124 \| 15 13 m 6H \| 13 12 m 3H \| 10 9 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCn1c(CN(C)C(=O)OC(C)(C)C)nc2cc(Br)ccc21	ir: 7 7 12 24 12 5 37 12 7 8 20 58 13 7 9 3 4 3 1 34 7 3 1 3 4 1 0 4 6 23 2 4 3 1 2 4 2 2 10 7 3 1 1 3 4 5 2 15 6 2 2 7 13 61 23 4 3 1 4 16 11 8 8 5 5 6 3 8 11 4 7 13 5 8 4 5 6 8 8 8 2 1 4 7 6 1 2 3 1 3 5 6 10 5 4 4 1 2 4 4 2 6 4 6 3 4 5 4 1 2 4 2 1 2 5 4 7 9 6 9 5 29 13 19 15 12 9 21 16 17 14 19 4 19 5 3 3 6 6 19 18 6 5 1 1 22 6 2 1 7 13 100 10 5 3 2 1 2 1 1 1 2 9 0 1 2 1 0 1 3 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 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 2 2 2 4 4 3 3 6 3 2 3 3 3 8 5 16 21 23 39 36 19 14 11 3 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 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0; 1HNMR: 78 78 d 1H J 20 \| 75 74 m 3H \| 53 53 s 2H \| 45 44 s 2H \| 33 33 s 3H \| 31 30 s 3H \| 15 14 s 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c2c(nn1C)-c1nc(SC)ncc1CCC2	ir: 2 3 2 5 9 18 11 4 2 3 21 2 4 2 5 9 1 1 1 2 4 7 3 8 31 10 1 5 6 14 20 4 1 4 5 15 3 11 14 20 9 42 17 24 16 4 1 1 1 1 3 7 3 7 6 10 4 3 4 3 2 3 1 2 1 1 1 5 4 2 4 3 1 4 6 1 1 9 19 1 1 1 1 1 0 1 1 2 1 1 1 2 3 4 2 6 1 1 2 1 1 11 1 1 2 1 2 4 14 2 9 19 55 18 24 17 7 27 30 51 13 11 1 3 4 8 15 6 17 6 1 11 2 1 1 1 48 14 9 13 100 13 3 3 7 1 1 2 4 18 1 1 6 21 34 0 1 63 9 2 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 2 3 3 1 3 1 3 2 6 3 4 4 3 2 3 7 37 12 4 2 1 1 1 1 1 1 1 0 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 d 1H J 9 \| 44 43 q 2H J 64 \| 41 41 s 3H \| 30 30 t 2H J 88 \| 29 28 td 2H J 9 102 \| 26 26 s 3H \| 23 21 tt 2H J 87 101 \| 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(CCCc1ccccc1)NO	ir: 1 2 1 3 1 1 0 2 2 1 4 1 2 1 2 2 2 2 1 4 4 3 2 6 4 3 4 1 1 10 14 5 5 10 5 4 3 2 4 4 16 5 2 2 1 1 1 1 1 3 1 2 2 0 1 1 1 0 1 1 0 0 1 2 1 0 2 1 4 6 1 1 1 1 1 2 1 1 2 1 0 0 1 1 1 0 1 1 1 3 4 4 14 22 10 9 5 3 7 34 40 4 3 2 0 1 1 1 2 2 2 1 0 1 1 1 1 2 5 3 1 1 1 1 0 1 2 1 0 1 1 0 0 1 2 9 3 2 1 1 1 2 3 15 15 15 12 10 51 23 1 10 1 1 1 1 1 1 1 2 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 0 1 1 0 1 1 2 2 3 3 2 1 2 3 4 2 5 18 7 12 15 51 10 7 5 5 7 4 18 85 100 10 2 4 4 3 5 7 4 3 5 5 6 5 31 13 11 3 3 1 2 2 2 2 1 1 1 1 1 1 1 1 0 1 0 0 1 0 0 1 1 1 1 0 0 1 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 1 0 0 0 1 0 0; 1HNMR: 98 98 d 1H J 35 \| 89 88 d 1H J 35 \| 73 72 m 3H \| 72 71 m 2H \| 27 26 tt 2H J 9 82 \| 24 23 t 2H J 87 \| 19 18 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cc(C(C)(C)OC)ccc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1	ir: 1 3 2 2 3 4 5 2 2 3 2 5 3 5 7 1 7 5 10 2 4 6 5 6 9 11 5 4 3 2 4 5 4 4 4 3 4 3 3 2 2 2 2 1 2 1 3 3 4 8 6 4 2 20 30 27 5 6 2 4 2 3 1 1 5 1 4 11 8 6 3 2 2 3 3 3 2 1 1 1 1 2 2 2 2 2 2 1 5 4 3 2 4 2 2 4 5 5 3 7 4 1 1 2 2 1 1 2 2 1 3 4 8 14 4 4 4 4 2 3 2 2 3 3 5 2 3 3 10 6 11 6 12 6 7 11 27 39 34 43 11 9 3 5 3 3 1 19 9 9 23 7 8 7 3 2 6 4 2 2 1 1 1 4 7 1 1 1 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 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 2 1 1 1 2 3 1 4 17 22 10 36 100 30 15 7 3 3 2 2 0 3 2 1 1 1 2 1 1 2 3 4 6 4 6 7 9 24 33 9 4 3 4 1 3 4 4 2 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 77 77 d 1H J 78 \| 74 73 m 2H \| 73 73 s 4H \| 73 73 m 2H \| 71 71 dd 1H J 22 79 \| 69 69 d 1H J 22 \| 67 67 s 1H \| 42 41 q 2H J 63 \| 32 32 s 3H \| 18 18 s 3H \| 16 16 d 8H J 11 \| 15 15 t 3H J 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1cc(CBr)c2ccc(F)c(F)c2[nH]1	ir: 21 4 1 2 3 2 1 7 3 3 2 5 4 27 4 4 3 7 6 4 5 15 15 9 24 67 3 4 2 1 4 3 4 2 6 9 16 84 11 7 2 4 44 12 6 3 2 2 2 1 2 3 3 5 23 80 3 1 2 6 12 2 2 3 2 2 9 67 20 5 6 3 2 1 2 2 1 1 3 2 1 2 3 3 4 2 3 4 1 2 2 15 3 2 2 2 2 3 2 4 22 22 11 4 5 10 13 2 5 8 15 4 1 1 3 3 4 30 5 3 6 66 8 2 1 2 3 3 5 4 3 2 2 7 2 2 1 2 2 2 2 7 31 13 25 4 3 2 1 2 3 3 4 17 34 4 3 1 2 14 93 25 4 9 77 7 4 0 2 4 2 0 2 3 2 0 2 3 2 1 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 2 2 2 3 8 6 1 3 3 3 1 2 7 12 4 24 39 47 32 13 5 3 1 3 5 4 2 2 3 2 1 3 5 2 1 3 12 3 3 11 60 100 12 10 5 5 3 3 6 2 2 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 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; 1HNMR: 99 99 d 1H J 37 \| 77 76 dd 1H J 51 93 \| 71 71 ddd 1H J 48 93 103 \| 68 67 m 1H \| 47 47 d 2H J 13	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cnnc(Oc2cc(C(C)(C)C)nn2C)c1	ir: 1 2 7 3 2 7 8 12 10 6 7 4 3 9 6 7 3 8 16 7 12 9 9 8 2 3 3 1 4 6 2 2 2 3 4 9 4 3 3 1 1 3 2 1 1 3 2 3 2 3 2 0 2 4 3 7 4 6 5 8 7 8 11 3 10 33 51 62 16 24 6 20 30 44 7 11 4 4 1 3 3 6 2 2 8 7 6 7 2 3 2 1 3 3 1 1 3 3 1 1 4 5 2 2 3 2 1 2 4 3 1 3 3 32 20 6 5 4 1 9 9 13 7 10 11 12 5 21 17 8 7 6 6 17 5 3 2 2 1 3 3 18 83 9 6 0 1 2 2 0 1 5 17 13 5 6 3 18 100 55 21 3 2 3 2 1 2 3 1 1 1 2 1 1 2 2 1 1 2 2 1 0 2 2 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 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 1 1 1 2 2 1 2 3 5 4 1 3 2 1 3 3 2 2 5 2 12 2 21 15 16 75 47 39 22 11 6 3 3 1 2 3 2 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 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 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 81 81 d 1H J 16 \| 65 65 d 1H J 16 \| 56 56 s 1H \| 39 39 s 3H \| 37 37 s 3H \| 13 13 s 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nccc(N)c1-c1cc(C(F)(F)F)cc2[nH]ncc12	ir: 3 4 3 9 4 4 3 2 3 3 2 3 6 3 2 2 2 3 2 3 3 2 2 2 2 3 2 2 2 2 3 8 3 2 4 3 2 3 3 11 2 2 2 3 3 5 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 5 6 4 5 5 4 4 3 4 3 3 2 2 2 2 2 3 2 2 4 6 2 2 2 2 2 2 2 3 5 2 3 18 5 3 2 1 2 3 3 0 14 5 4 4 3 6 5 3 3 5 3 3 2 3 2 2 2 2 2 4 2 2 2 2 3 3 2 2 2 2 2 2 3 2 2 2 3 2 2 2 7 4 3 6 3 2 3 3 10 3 3 12 2 18 7 3 5 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 3 4 9 5 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 8 5 3 3 3 2 3 3 4 6 8 6 21 100 5 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; 1HNMR: 85 85 s 1H \| 83 82 d 1H J 42 \| 78 78 dq 3H J 10 16 \| 67 67 d 1H J 42 \| 50 50 s 2H \| 26 26 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(C(C)(C)C)cc(P(Cl)c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)cc1C(C)(C)C	ir: 4 3 2 2 3 4 3 5 1 2 0 2 9 1 0 2 2 2 5 6 6 1 1 2 2 1 0 1 2 2 4 2 7 1 1 2 1 1 2 4 29 6 2 3 2 0 1 2 1 2 7 3 2 1 1 2 2 0 6 10 7 15 22 81 21 17 62 33 33 10 10 5 14 5 6 5 2 1 2 3 1 1 2 1 2 1 2 6 3 2 2 2 1 1 2 3 2 2 2 3 2 1 1 2 3 5 7 3 2 2 3 2 2 3 5 10 11 9 10 12 8 8 15 5 9 13 6 9 16 22 11 11 12 12 7 4 2 2 3 3 9 53 100 9 4 4 2 6 8 2 1 0 1 1 1 0 1 2 2 4 3 4 4 8 12 3 7 1 1 2 2 2 1 1 1 1 1 3 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 4 6 10 4 3 2 3 2 1 2 4 3 10 10 25 94 26 17 23 56 19 7 11 3 2 2 3 1 1 2 2 1 0 1 2 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 73 73 d 5H J 13 \| 37 37 s 6H \| 14 14 s 35H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N1c2ccc(N3CCOCC3)cc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C	ir: 12 9 13 10 20 21 27 11 5 4 2 5 7 10 11 6 11 14 7 10 9 4 14 10 20 12 9 7 11 6 10 9 11 2 2 8 7 6 7 12 21 100 23 0 5 9 5 1 3 6 3 6 16 9 14 38 13 8 8 3 5 10 8 2 8 6 8 6 16 9 28 23 34 39 6 2 5 4 5 4 9 7 6 6 5 4 13 4 8 4 6 3 5 5 10 7 8 4 15 8 12 4 9 8 23 21 12 9 7 5 4 4 4 5 8 6 8 7 9 6 4 7 4 5 3 4 6 8 6 9 7 7 7 6 9 15 3 4 5 5 12 6 3 10 21 16 38 25 20 19 13 5 18 79 19 11 6 3 3 4 5 19 4 3 6 9 4 2 3 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 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 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 3 2 2 2 3 3 2 2 3 3 3 5 4 3 3 3 4 4 2 4 6 8 6 11 12 18 8 30 33 15 18 14 5 5 4 3 3 3 2 3 2 3 3 3 3 2 4 4 4 4 8 10 20 46 17 12 7 6 3 4 4 3 2 2 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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; 1HNMR: 71 71 d 1H J 79 \| 71 70 m 2H \| 69 68 dd 1H J 22 79 \| 68 68 tt 1H J 12 70 \| 68 67 dd 1H J 7 22 \| 67 67 m 2H \| 51 50 d 1H J 88 \| 47 46 m 1H \| 44 43 m 1H \| 39 38 m 4H \| 34 34 m 4H \| 23 23 s 2H \| 21 21 m 1H \| 13 12 d 3H J 77 \| 10 10 d 3H J 77	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)C(Br)c1ccccc1CBr	ir: 20 12 6 6 14 12 9 10 5 13 14 5 1 1 1 2 1 2 3 0 1 2 5 6 4 5 34 5 3 3 10 3 4 1 2 1 8 8 8 6 11 11 29 70 9 6 2 2 1 0 1 2 3 2 1 4 2 1 1 2 1 3 3 4 2 1 1 1 0 1 4 0 1 1 2 5 1 0 0 0 1 0 0 1 1 1 3 3 15 16 6 10 22 7 4 2 1 5 4 8 8 5 1 2 2 6 10 3 2 9 34 13 0 15 78 13 8 14 46 17 11 6 1 4 3 2 6 12 9 9 6 16 9 4 2 2 4 12 6 3 3 4 3 10 20 100 36 8 13 59 3 0 1 2 1 1 1 1 1 6 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 3 4 9 3 1 1 5 5 0 3 4 10 7 16 32 62 15 12 46 31 5 2 4 1 1 1 1 0 0 0 0 1 1 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 m 1H \| 74 74 m 1H \| 73 72 m 2H \| 55 54 d 1H J 8 \| 46 45 m 2H \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(CCCCCC1=CCCC1=O)c1ccccc1	ir: 15 17 11 9 8 6 33 18 10 6 8 8 15 6 12 8 4 3 5 4 3 4 3 9 10 14 6 5 12 9 11 26 8 15 6 3 5 9 10 31 95 42 12 5 4 4 6 17 31 24 8 2 3 4 4 3 2 5 4 0 6 6 3 4 7 8 18 8 16 23 8 7 6 10 16 6 5 4 5 3 3 4 2 2 2 3 1 3 3 6 28 6 6 5 2 2 10 13 7 6 23 28 10 8 7 5 3 11 25 25 11 17 25 17 19 10 7 13 32 23 22 13 9 11 11 10 6 3 5 9 1 7 8 6 11 32 19 1 3 5 5 6 15 53 64 78 59 14 4 12 5 3 10 8 13 14 2 3 2 2 2 2 2 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 1 2 2 2 2 2 2 2 2 2 2 3 5 3 5 6 6 16 10 10 11 5 6 8 5 14 47 75 26 45 100 45 26 8 4 3 6 3 1 2 3 2 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 74 73 m 5H \| 70 70 tp 1H J 11 35 \| 42 41 p 2H J 64 \| 35 34 m 1H \| 27 26 ddd 2H J 9 59 65 \| 24 23 tq 2H J 11 77 \| 23 22 tdt 2H J 11 38 60 \| 20 19 dtd 1H J 75 83 139 \| 18 17 dtd 1H J 75 84 139 \| 16 14 m 3H \| 15 13 m 3H \| 12 11 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCNC(=O)O	ir: 1 2 3 4 3 2 2 6 4 4 2 2 1 5 7 13 2 3 3 4 4 5 41 23 9 14 23 78 44 96 9 8 5 2 1 2 1 1 2 7 2 1 2 2 3 1 1 2 4 2 3 2 2 2 1 2 1 1 1 2 1 2 2 1 1 1 1 1 1 1 2 3 6 5 2 0 5 40 22 5 0 0 2 2 0 0 2 2 1 1 2 1 1 2 2 2 1 1 2 2 1 1 2 1 2 9 7 4 4 1 2 2 2 2 6 6 3 4 2 9 6 4 8 5 3 2 3 9 2 1 2 1 1 1 2 0 0 1 2 0 0 3 5 4 79 43 55 22 43 6 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 2 1 2 2 2 1 2 8 6 3 2 1 1 1 1 1 1 1 3 6 16 100 4 2 2 2 1 1 1 1 1 2 4 4 21 23 51 16 9 5 5 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 100 100 s 1H \| 62 62 t 1H J 51 \| 31 31 q 2H J 56 \| 16 15 tt 2H J 57 75 \| 14 12 m 8H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc2c(N3CCOCC3)nc(N3CCOCC3)nc2c1	ir: 1 1 1 1 1 1 1 1 1 1 1 1 2 1 4 2 1 1 1 1 1 1 2 2 2 4 2 2 3 16 12 3 3 2 1 1 1 1 1 1 1 1 1 3 6 1 1 1 12 4 3 2 1 1 1 1 1 1 1 1 1 1 8 2 2 1 1 1 2 1 2 1 3 6 1 4 3 1 1 1 1 1 1 2 9 2 3 1 1 1 1 1 1 1 2 2 2 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 1 1 1 6 1 1 1 1 1 2 3 3 1 2 2 1 1 2 3 7 4 3 2 2 2 1 1 2 3 19 5 8 3 2 3 1 1 2 1 100 5 0 2 23 1 1 1 1 1 1 11 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 6 10 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 81 dd 1H J 14 97 \| 80 80 dd 1H J 14 74 \| 79 78 td 1H J 13 71 \| 75 75 ddd 1H J 13 69 99 \| 39 37 m 12H \| 37 36 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#Cc1ccc(-c2c3c(cc4ccc(N(C)C)cc24)CCC3=O)cc1	ir: 9 10 11 10 11 12 22 16 12 13 16 11 21 19 15 30 11 10 10 11 11 14 11 11 29 10 10 10 14 11 10 10 9 11 11 14 10 10 10 9 10 10 10 9 9 10 10 10 11 13 33 12 11 13 19 27 53 29 11 13 11 8 20 0 11 17 11 13 49 35 18 11 18 27 21 12 16 14 12 10 11 12 10 18 11 11 11 12 14 13 12 12 32 17 14 22 13 11 10 10 13 10 9 10 13 62 23 11 9 10 10 10 11 13 11 12 15 21 24 13 11 13 11 12 20 16 10 13 18 10 11 10 10 13 15 10 10 9 10 11 10 10 9 13 23 65 27 7 53 12 9 14 13 31 11 12 11 14 16 44 23 11 11 11 10 8 9 10 10 12 10 10 9 9 10 11 19 9 9 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 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 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 10 10 11 13 16 12 11 10 10 12 12 17 21 20 35 78 100 20 17 14 13 11 10 9 13 10 9 9 10 10 9 80 11 10 9 9 10 10 10 9 10 10 9 9 10 10 9 9 10 10 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 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 10 10 9 9 10 10 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 10; 1HNMR: 79 79 dd 1H J 22 77 \| 78 77 m 2H \| 76 75 m 2H \| 74 74 dd 1H J 10 23 \| 70 69 m 2H \| 32 32 ddd 2H J 9 59 65 \| 31 31 s 1H \| 29 29 s 5H \| 29 28 dd 2H J 57 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1ccnc1S	ir: 1 1 1 7 11 2 2 1 0 1 1 1 4 4 3 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 9 20 10 4 0 0 1 1 0 1 1 3 2 1 1 1 1 4 2 1 0 0 1 0 0 0 1 1 2 4 2 1 1 10 8 5 15 4 2 7 5 6 2 3 2 2 7 6 1 1 2 11 8 2 2 1 2 1 0 1 1 1 1 4 7 7 2 2 2 3 8 15 13 3 1 2 3 3 2 3 5 19 24 18 7 14 24 32 9 5 7 5 5 4 3 5 5 18 13 3 2 1 1 1 1 1 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 1 0 1 0 0 1 2 4 6 3 1 2 2 1 3 6 7 6 3 4 4 9 20 16 21 11 100 71 21 0 2 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 71 71 dt 1H J 9 32 \| 70 70 d 1H J 31 \| 39 38 qd 2H J 9 50 \| 24 23 s 1H \| 14 13 t 3H J 50	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccc(C(CC2CCCC2)c2cc3cccnc3[nH]2)cn1	ir: 1 1 2 6 2 2 0 3 2 1 0 1 0 1 3 0 0 1 3 1 0 0 1 1 3 1 0 1 2 7 1 5 5 2 3 8 13 22 39 7 6 2 1 1 3 1 4 6 1 2 1 1 4 7 7 3 1 0 1 1 1 0 10 2 2 1 0 0 1 2 4 1 2 1 1 3 0 0 1 1 1 0 0 1 11 1 1 2 2 1 1 1 0 2 13 12 9 6 9 1 1 1 0 1 1 0 1 6 4 8 8 2 2 1 1 1 1 1 2 3 2 2 3 1 2 6 3 4 3 0 1 1 0 1 1 1 14 27 2 2 1 1 0 2 1 0 1 3 4 95 5 2 2 3 28 5 100 6 2 3 15 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 2 2 1 1 1 1 4 4 12 1 5 14 13 31 5 2 1 1 0 2 1 0 0 0 0 0 1 0 0 0 0 0 1 4 3 4 2 8 5 3 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 s 1H \| 87 86 dd 1H J 16 38 \| 83 82 dt 1H J 20 75 \| 75 75 dd 1H J 7 19 \| 74 74 dd 1H J 39 74 \| 73 73 m 1H \| 67 67 d 1H J 80 \| 64 64 dt 1H J 6 22 \| 44 43 m 3H \| 21 21 ddd 1H J 64 71 136 \| 19 18 ddd 1H J 64 71 136 \| 16 14 m 10H \| 14 12 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cnc2cc(NC(=O)c3cccnc3-c3ccc(C(F)(F)F)cc3)ccc2c1	ir: 4 2 5 4 4 3 5 3 2 3 3 10 5 7 10 11 7 4 6 15 19 54 73 27 5 11 19 12 7 9 8 3 4 8 6 4 7 16 4 54 32 18 11 17 26 4 9 26 14 10 7 4 3 4 11 11 12 8 4 2 3 4 9 8 5 3 5 18 47 37 6 3 3 6 3 4 16 15 3 7 21 18 6 3 7 5 4 5 8 5 2 3 5 11 21 5 4 4 10 15 27 4 2 4 5 4 2 8 1 3 4 4 54 8 0 3 5 8 4 5 4 3 2 4 14 25 3 6 5 28 9 13 7 2 2 3 4 4 1 4 7 6 8 6 7 13 17 22 21 63 18 8 7 2 5 29 32 61 12 6 10 4 3 4 3 2 3 3 12 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 3 2 2 3 3 3 2 3 7 21 50 45 12 4 2 3 4 3 3 33 100 8 3 3 3 3 3 3 4 3 3 3 3 6 33 18 5 4 2 3 3 3 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 93 92 d 1H J 16 \| 90 89 d 2H J 20 \| 87 86 dd 1H J 21 43 \| 83 83 m 1H \| 81 80 dd 1H J 21 80 \| 80 79 m 2H \| 79 79 m 1H \| 78 77 dq 2H J 14 114 \| 75 75 dd 1H J 42 79	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1sccc1OC(C)c1ccccc1Cl	ir: 2 5 3 5 4 8 4 18 12 15 9 17 23 10 11 4 3 8 2 2 5 2 1 4 14 8 5 2 2 5 7 4 1 2 2 3 2 3 4 5 8 11 100 85 20 10 71 5 5 3 2 2 1 1 1 2 3 3 13 5 2 2 1 1 2 3 10 6 2 4 3 6 7 22 8 19 6 3 4 7 3 5 6 9 6 2 2 4 4 6 7 5 35 7 3 3 2 1 3 2 6 2 2 1 1 2 2 6 4 26 7 4 2 2 7 17 9 8 3 4 3 3 2 4 2 2 2 8 4 6 5 6 50 62 16 1 23 8 2 2 6 15 5 10 7 85 10 38 22 6 5 10 78 19 5 1 4 4 9 1 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 2 1 1 2 2 4 2 5 4 4 10 9 10 13 59 38 21 25 9 3 0 2 3 1 1 3 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 77 77 d 1H J 60 \| 75 74 dd 1H J 17 75 \| 74 74 ddd 1H J 7 18 74 \| 73 72 m 2H \| 69 69 d 1H J 60 \| 58 58 m 1H \| 39 38 s 2H \| 17 17 d 3H J 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN1C(=O)Nc1ccc(N2CCOCC2=O)cc1	ir: 3 4 10 6 7 4 4 5 2 7 8 8 3 3 5 7 12 8 6 3 4 6 8 4 14 11 6 14 2 4 7 6 3 6 4 3 4 6 8 7 20 83 21 14 17 11 16 5 26 11 36 13 11 13 20 36 52 21 16 1 4 6 2 2 5 7 3 0 4 23 3 2 3 7 6 4 4 4 2 2 3 3 4 2 5 4 3 3 6 5 1 3 8 7 5 7 7 6 4 4 4 5 12 10 20 15 7 4 9 4 3 5 5 8 4 3 7 4 2 4 4 7 7 5 12 8 4 7 4 4 2 4 8 2 2 3 3 2 2 4 5 4 5 17 25 4 11 16 36 55 45 44 83 100 26 7 6 3 2 4 3 1 12 10 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4 2 1 2 3 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 2 3 4 4 3 3 6 4 2 5 7 4 5 19 11 33 96 38 10 10 4 6 7 4 2 3 4 2 2 4 4 3 2 4 4 2 4 8 11 26 30 28 37 16 5 7 6 3 3 4 3 2 3 3 3 1 2 3 3 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 1 2 3 2 1 3 3 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 96 95 s 1H \| 84 84 s 1H \| 76 76 m 4H \| 74 73 m 2H \| 72 72 m 2H \| 46 45 ddt 1H J 18 34 52 \| 43 43 s 2H \| 39 39 m 2H \| 39 38 m 2H \| 37 36 ddd 1H J 35 53 128 \| 36 35 dddd 1H J 17 34 52 128 \| 23 22 dddd 1H J 34 51 69 131 \| 21 19 m 2H \| 19 18 ddtdd 1H J 17 35 53 69 123	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCCNc1cc2nc[nH]c(=O)c2c(Nc2ccc(N3CCOCC3)nc2)n1	ir: 10 31 21 7 5 6 8 8 4 24 9 6 5 7 14 5 4 6 7 6 8 12 11 22 13 66 23 7 9 13 5 6 14 21 61 19 12 8 7 5 6 7 4 5 9 17 13 7 6 4 8 19 9 39 34 59 11 8 17 5 4 5 6 4 5 9 7 4 5 4 12 18 59 23 20 30 10 10 8 4 4 7 7 6 11 10 5 3 5 5 9 4 4 4 5 15 16 6 4 9 10 7 12 13 6 6 11 23 4 6 4 8 7 6 2 5 25 7 2 10 2 8 15 5 6 4 23 14 6 8 7 5 5 19 31 7 6 7 7 7 24 28 20 13 9 6 3 5 8 5 6 13 17 9 10 46 98 10 6 10 6 0 62 80 59 10 5 1 4 5 4 2 3 4 3 2 3 4 3 2 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 5 4 4 4 4 3 3 4 4 4 4 10 4 10 12 8 13 7 8 6 6 6 7 8 100 19 16 8 22 20 5 8 8 8 11 7 73 31 82 25 11 16 13 8 4 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 85 85 d 1H J 19 \| 83 82 d 1H J 71 \| 74 73 dd 1H J 19 85 \| 73 73 t 1H J 47 \| 68 67 d 1H J 85 \| 62 61 s 1H \| 38 38 dd 4H J 48 57 \| 37 36 dd 4H J 47 55 \| 36 36 q 2H J 44 \| 30 29 tt 2H J 44 62 \| 16 16 t 2H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCc1ccc(S)cc1CC	ir: 9 9 5 4 6 5 6 4 6 5 4 8 4 4 8 6 3 3 2 5 3 4 7 7 20 2 1 1 1 1 3 2 1 1 1 1 2 2 3 3 4 2 9 10 13 52 18 6 6 6 5 9 17 9 19 24 20 5 4 4 3 2 5 6 4 1 19 22 23 4 3 5 7 16 12 6 3 2 1 1 1 2 1 1 1 2 1 1 2 4 6 6 11 10 8 15 12 23 11 13 18 5 5 3 3 1 1 2 2 3 8 10 20 4 9 8 10 9 8 21 17 7 4 13 17 6 6 4 8 6 6 6 3 3 3 8 3 2 1 3 3 4 15 45 100 27 15 6 10 11 4 5 10 12 2 1 1 1 1 1 5 1 1 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 2 2 1 1 1 1 2 2 3 2 1 1 1 1 1 2 1 1 1 1 0 0 1 1 1 1 3 4 4 3 5 6 3 3 8 5 1 5 10 14 22 55 21 28 87 19 6 4 3 2 2 1 1 1 1 1 1 1 1 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 0 0 0 1; 1HNMR: 71 70 dd 1H J 22 73 \| 70 70 m 2H \| 42 41 q 2H J 65 \| 36 36 s 1H \| 30 29 td 2H J 8 83 \| 27 26 m 4H \| 13 12 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCC(=O)Nc1cccc2c1C(=O)C(=O)c1ccccc1-2	ir: 9 8 4 6 0 8 13 8 3 1 2 1 1 1 1 4 35 12 1 19 8 9 4 13 8 3 2 1 1 1 1 1 2 5 5 16 9 8 5 1 4 7 12 23 50 100 12 15 7 5 5 2 4 19 10 3 2 3 4 3 2 34 11 7 2 2 2 2 4 2 2 1 1 2 3 1 1 0 2 1 3 1 2 2 1 1 1 1 2 1 1 1 2 2 7 15 3 2 3 7 1 2 2 2 2 3 12 4 3 2 1 3 4 13 22 32 24 16 18 10 13 6 4 2 4 1 0 1 2 1 2 8 7 12 11 9 4 8 5 6 4 3 8 39 60 29 50 28 10 9 33 3 3 6 44 19 18 5 4 25 3 2 25 1 2 1 1 1 1 1 1 1 2 2 2 1 1 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 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 1 1 0 0 0 0 0 0 1 0 1 1 1 2 3 8 3 2 2 3 3 4 4 4 15 11 8 9 29 51 8 5 3 27 7 2 2 2 2 2 1 2 1 1 1 0 1 2 4 1 5 33 22 45 5 4 5 2 3 2 1 1 1 0 0 1 1 0 1 1 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 dd 1H J 11 79 \| 82 82 dd 1H J 12 76 \| 81 81 dd 1H J 14 81 \| 81 80 dd 1H J 12 75 \| 77 76 m 2H \| 76 75 td 1H J 12 79 \| 37 36 s 3H \| 27 26 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1cncc(C(Cc2cn(Cc3nc4ccccc4[nH]3)nn2)c2cccnc2)c1	ir: 2 3 4 16 7 3 3 1 2 1 2 2 2 2 2 5 2 3 4 2 7 4 8 21 16 6 16 4 4 5 8 2 23 64 64 21 4 3 3 6 8 7 76 9 9 10 1 2 1 0 2 3 5 9 7 9 4 7 9 3 7 4 10 11 11 7 5 2 4 16 11 6 2 1 2 3 1 2 1 4 4 3 3 2 1 1 1 1 1 1 3 3 2 4 17 4 2 5 6 5 4 2 3 2 3 4 7 13 0 3 8 3 20 10 2 1 2 2 2 2 4 4 6 3 3 6 12 4 4 2 1 2 1 3 4 10 4 2 1 27 8 3 2 4 4 20 12 2 2 1 1 1 100 11 21 15 4 1 6 12 3 12 1 1 2 1 1 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 1 2 2 2 2 2 4 1 3 4 11 7 16 18 34 26 18 4 3 6 3 3 2 2 1 1 1 1 1 4 1 1 1 1 3 2 5 6 6 9 28 13 7 4 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 100 99 s 1H \| 85 85 dt 2H J 17 48 \| 84 84 td 2H J 7 19 \| 76 75 m 1H \| 76 75 m 2H \| 75 74 m 2H \| 73 72 dd 2H J 47 76 \| 72 71 m 2H \| 56 56 d 2H J 7 \| 48 48 ddd 1H J 9 79 89 \| 33 33 dd 2H J 8 82	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc(Nc2ncnc3c2CCC3O)cc1	ir: 10 16 16 8 5 16 15 14 9 5 3 8 5 3 3 3 2 6 4 2 6 13 5 5 5 7 6 2 6 9 6 6 7 11 13 9 11 24 34 38 22 13 8 2 7 5 5 5 7 7 3 1 2 5 12 14 8 12 7 3 2 2 4 4 2 3 5 8 11 5 3 2 2 5 2 2 4 5 3 4 9 11 28 16 12 13 79 29 10 12 12 8 4 3 5 13 11 9 9 5 11 5 17 20 18 16 5 9 3 4 6 7 8 12 3 6 5 3 4 4 10 7 2 4 4 5 3 4 4 5 2 3 2 5 3 13 7 5 7 13 31 13 20 12 6 5 6 5 6 6 17 24 9 50 42 21 100 4 2 2 2 0 1 2 17 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 2 3 3 3 2 2 5 1 1 6 14 13 10 17 80 28 21 8 1 4 3 3 45 5 2 1 1 2 2 1 1 2 3 2 1 3 2 10 22 75 28 11 12 4 1 1 1 1 1 0 1 3 2 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 89 s 1H \| 84 84 s 1H \| 79 78 m 2H \| 77 76 m 2H \| 73 72 m 5H \| 48 48 q 1H J 46 \| 46 45 d 1H J 42 \| 35 35 d 2H J 8 \| 30 29 t 2H J 85 \| 29 26 m 6H \| 24 23 dddd 1H J 48 79 97 145 \| 21 20 dddd 1H J 46 79 95 146 \| 19 18 m 2H \| 18 17 td 2H J 62 85 \| 17 16 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1ccc(Br)c(F)c1O	ir: 41 21 6 5 3 1 0 1 1 1 0 1 1 4 2 1 1 1 1 1 1 1 3 1 1 1 1 1 2 1 1 1 1 0 1 1 1 1 1 3 1 2 2 2 2 1 1 4 7 0 1 3 6 2 8 2 1 1 1 1 1 4 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 3 5 7 22 44 40 15 6 1 1 2 2 1 1 2 2 1 9 5 4 2 1 1 1 2 40 7 2 0 1 1 1 0 1 3 3 1 2 2 1 1 2 2 2 1 1 3 6 1 1 4 4 3 3 1 1 1 1 1 1 1 1 2 3 3 2 1 3 1 1 1 1 18 9 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 2 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 1 2 4 4 7 6 6 18 9 2 2 1 2 12 100 52 12 4 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 72 71 dd 1H J 48 84 \| 70 69 d 1H J 84 \| 53 52 d 1H J 46 \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1ccc(C(CC2CCC(=O)C2)c2cc3cccnc3[nH]2)cc1	ir: 6 3 4 8 18 15 17 18 13 7 18 9 8 8 13 4 14 10 5 8 6 4 7 13 0 3 1 4 6 10 4 2 3 5 8 19 8 34 93 11 11 9 4 2 2 5 8 6 7 5 2 4 9 4 16 38 11 9 3 26 11 17 61 13 19 52 8 6 2 1 3 3 3 3 1 4 2 4 3 4 1 5 15 60 37 76 13 10 6 26 8 5 9 75 26 44 43 21 12 8 4 3 7 6 10 23 50 6 2 4 3 6 5 7 6 2 5 5 1 32 15 19 29 20 20 24 11 16 10 6 3 1 1 1 3 7 9 7 11 3 2 2 5 10 48 27 7 22 22 9 5 3 8 22 88 45 47 4 5 4 2 11 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 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 3 2 3 2 3 6 11 5 3 7 9 9 26 25 53 52 100 54 27 33 12 13 6 5 3 1 2 2 2 1 1 2 1 1 2 3 2 1 5 8 5 8 24 36 36 25 8 7 5 3 2 1 2 2 1 1 1 1 0 0 1 0 0 0 0 1 0 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 0 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 0 1; 1HNMR: 87 87 s 1H \| 87 86 dd 1H J 16 38 \| 83 82 dt 1H J 20 75 \| 78 77 m 2H \| 74 74 dd 1H J 39 74 \| 73 72 m 2H \| 64 64 m 1H \| 43 42 tt 1H J 11 69 \| 33 32 s 2H \| 26 24 m 3H \| 24 22 m 2H \| 22 21 dt 1H J 68 137 \| 20 19 m 2H \| 17 16 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc2nc(C(C)(F)F)c(C(O)C3CCC(F)(F)CC3)n2c(C)c1Cl	ir: 18 51 54 23 13 18 11 19 25 16 15 10 8 13 16 25 26 9 9 8 18 7 4 6 6 3 2 5 4 8 5 7 7 9 17 8 9 14 36 8 8 4 6 7 4 1 3 4 6 3 4 4 4 7 7 8 6 6 4 6 5 5 4 5 7 6 4 5 3 4 4 7 36 36 11 18 12 3 4 7 9 8 8 19 35 24 56 72 90 92 37 34 9 12 15 9 12 11 7 6 11 27 39 11 10 9 16 30 20 16 5 8 10 21 21 10 23 12 21 24 8 17 14 9 5 12 18 21 11 28 11 10 10 8 9 15 13 9 7 5 4 8 5 3 3 4 9 54 20 45 5 2 7 4 3 1 2 3 2 0 1 3 2 1 2 3 2 0 2 3 2 0 2 4 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 1 1 3 2 1 2 3 2 0 1 3 2 1 2 3 2 0 2 3 1 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 2 1 2 3 1 1 2 3 1 2 3 3 2 1 3 3 1 2 4 3 1 2 4 4 4 10 8 4 3 6 9 10 9 9 6 6 7 8 13 58 21 7 10 17 36 9 6 4 19 100 60 22 5 3 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 3 2 1 2 3 2 1 2 3 1 1 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 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; 1HNMR: 80 79 s 1H \| 47 47 dd 1H J 53 62 \| 43 42 q 2H J 71 \| 42 42 d 1H J 51 \| 25 25 s 1H \| 25 24 s 1H \| 24 24 d 4H J 51 \| 23 22 pd 1H J 62 74 \| 21 19 m 4H \| 19 18 ddtt 2H J 29 75 104 132 \| 17 16 m 2H \| 14 14 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)c1c(NC(=O)CBr)sc2c1CCCC2	ir: 2 3 4 3 4 10 7 4 6 6 7 7 9 4 5 3 4 5 6 10 12 26 9 10 31 27 14 5 5 3 3 3 3 5 7 4 3 4 3 2 3 5 4 4 6 6 5 3 6 10 5 2 3 4 6 6 14 10 48 100 63 51 7 2 4 8 7 10 6 8 5 4 5 6 3 2 4 4 2 2 3 4 2 2 4 5 2 3 4 3 3 3 4 4 3 4 4 3 2 3 8 4 2 3 4 4 5 5 5 5 9 7 6 5 4 6 5 11 7 6 6 5 6 10 8 3 4 4 5 4 3 6 7 7 4 4 5 5 5 53 21 5 44 9 7 7 31 9 51 5 5 7 7 0 86 2 8 48 24 4 2 4 4 3 3 3 3 2 3 3 3 3 3 2 2 3 3 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 5 4 8 6 5 3 2 3 4 3 4 20 5 4 3 3 3 3 2 3 3 3 2 3 3 3 3 4 4 3 3 6 4 3 4 5 33 18 39 20 58 52 21 8 6 5 7 5 3 3 3 3 4 3 3 3 3 3 3 3 3 2 3 3 3 2 2 3 3 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 73 72 q 1H J 51 \| 41 41 s 2H \| 29 29 m 5H \| 27 27 m 2H \| 18 17 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1NC(=O)C2(CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)N1c1ccccc1	ir: 6 10 7 5 4 8 18 8 9 11 26 22 16 4 6 3 4 8 17 22 8 1 1 2 4 5 3 6 8 21 100 99 9 26 10 4 3 18 46 24 8 37 12 7 4 2 2 5 3 6 3 4 2 1 2 4 4 3 3 9 4 2 6 4 3 7 12 39 36 8 6 10 3 2 6 5 7 12 4 9 6 30 16 7 7 2 4 4 4 3 3 3 2 4 4 3 10 15 34 74 44 8 10 7 3 2 4 4 6 17 24 7 13 21 33 15 21 17 19 5 4 6 6 36 14 9 17 15 29 46 19 14 22 12 11 16 9 4 4 2 2 4 4 33 15 14 16 32 8 9 5 28 30 42 13 4 5 4 4 3 22 7 3 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 1 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 1 3 3 1 3 4 3 2 4 7 6 4 3 7 4 3 3 8 12 30 24 54 48 31 11 3 4 4 4 3 3 3 2 3 3 1 2 3 2 2 3 7 6 6 8 75 50 7 5 4 2 1 2 2 2 6 3 2 2 2 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1; 1HNMR: 79 79 m 1H \| 79 78 d 2H J 22 \| 73 72 m 2H \| 69 68 tt 1H J 15 78 \| 67 67 m 2H \| 60 59 d 1H J 75 \| 51 50 dq 1H J 50 75 \| 39 38 ddd 2H J 35 62 126 \| 35 35 ddd 2H J 35 62 125 \| 24 24 ddd 2H J 36 62 130 \| 22 21 ddd 2H J 36 63 130 \| 12 11 d 3H J 49	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)[C@H](N)CNC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C	ir: 3 7 3 2 3 1 1 1 3 1 3 2 2 2 2 1 1 1 1 1 4 2 3 3 3 2 4 8 16 18 13 28 14 21 22 9 7 12 9 19 30 8 5 4 3 5 2 2 5 2 3 3 2 3 4 11 10 6 4 3 4 3 12 5 6 14 4 3 22 3 3 3 6 10 9 3 4 5 9 4 1 4 21 5 5 2 1 1 2 1 1 1 0 1 2 3 4 3 1 1 1 1 1 2 0 1 2 2 3 2 8 2 1 12 5 3 4 3 3 2 2 3 8 4 4 11 3 3 2 4 8 9 24 45 12 13 5 2 1 3 6 7 37 33 6 7 20 28 15 53 11 10 1 2 1 0 1 1 1 0 1 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 1 1 1 2 1 2 2 2 4 7 4 4 54 4 1 1 2 1 2 1 1 1 1 2 3 8 20 17 8 5 3 4 5 12 100 21 26 47 13 8 9 5 3 2 1 1 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 d 4H J 42 \| 73 73 ddd 1H J 33 49 83 \| 61 60 d 1H J 91 \| 56 56 t 1H J 59 \| 51 51 s 2H \| 41 40 ddp 1H J 16 63 95 \| 34 33 ddd 1H J 44 59 136 \| 32 31 ddd 1H J 45 59 137 \| 30 29 ddddq 1H J 15 29 44 58 86 \| 29 28 d 2H J 64 \| 21 20 dp 1H J 65 130 \| 17 16 dp 1H J 58 117 \| 9 8 m 12H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](CN(CC1CCN(c2ccc(=O)n(C)n2)CC1)C(=O)CCl)NC(=O)OC(C)(C)C	ir: 3 26 9 5 7 4 7 5 3 7 5 8 7 5 10 8 5 7 7 14 4 8 10 9 4 11 12 14 55 100 33 20 3 7 6 2 4 12 3 2 6 4 3 2 4 8 7 2 2 4 4 2 4 6 4 7 35 21 8 2 5 5 6 4 5 5 3 6 6 6 3 6 4 7 7 3 4 5 2 2 3 4 6 9 6 5 9 16 5 5 2 3 5 5 3 3 6 4 7 9 10 13 10 7 9 6 17 6 10 7 7 12 14 16 15 8 13 16 7 8 14 10 12 5 7 5 12 12 15 12 15 8 5 4 5 7 8 7 5 4 6 5 7 7 46 69 29 83 23 51 39 24 16 10 5 7 4 2 2 6 3 2 11 5 3 0 2 4 3 0 2 5 2 0 2 4 2 1 3 4 2 1 3 3 2 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 3 2 1 2 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 5 5 5 3 7 4 6 10 8 7 4 5 12 9 14 47 21 8 6 5 46 18 6 4 4 2 2 3 4 3 2 3 4 2 2 3 3 3 3 4 5 7 28 70 13 3 3 3 4 2 2 3 3 1 2 3 3 1 2 3 2 1 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 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 74 73 d 1H J 95 \| 67 67 d 1H J 95 \| 53 53 d 1H J 81 \| 42 42 s 2H \| 40 39 dqt 1H J 48 64 81 \| 37 36 s 2H \| 36 34 m 6H \| 33 33 d 2H J 55 \| 32 32 dd 1H J 49 120 \| 20 19 dddd 2H J 54 61 80 124 \| 19 18 m 1H \| 17 16 dddd 2H J 54 61 81 123 \| 14 14 s 7H \| 12 12 d 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2nc3cnn(C4CCNCC4)c3cc2-c2ccc(C#N)cc2)cc1	ir: 2 1 1 2 5 2 2 1 1 2 5 3 4 1 2 2 12 6 2 2 2 2 2 2 4 3 9 3 3 10 1 1 10 7 8 18 4 4 10 19 4 2 4 3 3 1 1 2 1 1 2 1 1 15 18 11 9 19 1 5 1 0 1 2 1 4 7 8 11 12 2 4 1 1 1 1 1 0 1 0 0 0 0 0 0 0 2 1 8 1 3 1 1 3 1 4 4 2 6 5 2 2 9 1 1 1 1 1 3 4 1 8 10 13 6 16 8 13 11 3 2 3 2 13 18 5 4 7 10 8 21 7 3 14 3 2 2 0 5 2 1 0 0 1 1 0 15 10 5 3 2 1 7 1 6 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 1 1 1 1 1 2 4 5 6 17 100 12 7 6 1 1 2 1 1 1 1 1 1 1 1 0 1 1 2 19 16 3 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 s 1H \| 80 80 s 1H \| 78 77 m 2H \| 77 76 m 2H \| 75 75 m 2H \| 73 73 dp 2H J 8 78 \| 47 46 p 1H J 38 \| 39 39 p 1H J 31 \| 31 31 ddt 2H J 29 57 128 \| 30 29 ddt 2H J 29 57 128 \| 24 23 d 3H J 8 \| 22 21 dddd 2H J 27 38 55 143 \| 20 19 dddd 2H J 27 38 55 143	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCCc1ccc(CCl)cc1	ir: 1 0 0 1 1 1 0 1 0 1 1 1 0 0 0 0 0 0 1 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 3 1 1 0 1 0 1 1 1 1 0 4 6 4 1 1 1 0 0 1 1 1 0 1 1 0 2 1 0 0 0 0 1 0 0 1 0 0 0 1 1 1 3 2 4 12 11 10 4 7 5 8 4 2 1 1 1 0 0 0 0 0 0 1 1 1 1 2 1 0 1 1 1 0 1 0 1 0 0 1 1 1 2 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 4 5 1 0 1 2 2 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 2 1 1 1 2 2 1 1 2 1 3 3 4 4 2 11 8 5 7 9 8 7 12 22 100 21 15 4 4 4 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 72 dt 2H J 9 80 \| 70 70 dq 2H J 9 79 \| 46 46 t 2H J 9 \| 38 37 q 2H J 58 \| 27 26 m 3H \| 19 18 tt 2H J 60 83	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(-c2csc3nccc(N4CCC(COCCN5CCCC5)CC4)c23)cc1	ir: 7 5 8 5 2 4 7 4 2 11 12 2 2 9 9 3 6 8 5 9 16 18 6 6 2 3 3 3 4 5 7 11 23 4 4 1 3 5 3 13 47 18 10 5 4 20 25 4 6 6 3 0 4 9 32 47 17 7 3 1 3 7 7 3 7 12 4 2 52 26 8 15 13 18 24 8 23 28 29 43 11 5 2 4 8 6 32 26 13 9 2 5 12 9 11 8 4 13 16 5 6 4 3 5 10 9 8 20 11 6 5 9 18 6 3 6 8 7 2 4 14 7 4 19 26 4 4 4 5 4 6 4 5 3 23 40 5 3 6 23 22 11 6 6 13 24 13 8 3 6 29 40 23 22 7 5 4 3 19 100 10 19 20 4 3 1 2 4 2 0 2 3 2 0 2 4 2 0 2 3 2 0 2 3 1 1 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 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 4 3 1 2 3 3 1 3 8 7 5 3 8 6 1 4 8 6 4 27 10 43 77 38 20 31 18 10 9 4 3 3 4 3 1 2 3 2 1 3 3 2 1 2 2 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 84 83 d 1H J 46 \| 76 75 m 2H \| 75 74 m 2H \| 74 73 ddt 1H J 15 69 80 \| 70 70 s 1H \| 68 68 d 1H J 48 \| 36 35 t 2H J 63 \| 34 33 ddd 2H J 56 82 121 \| 32 32 ddd 2H J 56 84 121 \| 31 31 d 2H J 51 \| 30 29 m 4H \| 26 26 t 2H J 63 \| 20 19 m 6H \| 18 17 dqd 1H J 51 60 112 \| 17 16 ddt 2H J 58 83 124	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCS(=O)(=O)Nc1ccc(N)cc1	ir: 19 27 11 13 6 13 7 5 6 10 5 10 9 5 3 5 5 3 5 2 5 4 5 4 5 4 7 7 4 7 5 15 3 5 5 5 5 5 3 4 5 7 4 5 5 3 2 3 2 1 1 3 3 3 9 11 16 21 14 8 8 2 2 3 3 4 3 5 14 23 63 22 2 0 2 3 1 4 6 9 3 1 3 2 3 4 56 16 18 5 6 3 10 10 4 6 1 2 7 14 18 20 9 11 1 6 15 4 0 2 2 2 1 2 3 2 1 3 7 12 6 4 4 5 18 12 4 3 0 6 20 19 3 4 3 1 0 2 4 1 1 4 2 1 0 2 2 0 2 7 6 3 13 19 8 9 83 100 18 3 2 2 2 4 4 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 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 1 1 1 2 2 1 1 2 2 0 1 2 2 1 1 3 2 3 4 4 2 1 1 5 3 0 2 7 6 23 13 42 28 5 3 3 1 1 2 2 1 1 3 3 1 1 2 3 2 18 29 12 4 1 3 5 5 22 20 44 36 55 51 18 4 5 3 2 2 2 3 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 2 1 0 1 2 1 0; 1HNMR: 76 76 s 1H \| 72 71 m 2H \| 67 66 m 2H \| 41 41 s 2H \| 33 32 t 2H J 73 \| 29 29 t 2H J 73 \| 24 23 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@](CCn1cc(C#N)cn1)(C(=O)NOC1CCCCO1)S(C)(=O)=O	ir: 6 4 2 4 5 10 13 7 6 5 1 2 0 2 3 3 2 1 1 3 6 15 5 3 2 1 0 6 4 8 8 18 12 14 8 5 3 7 2 1 6 8 4 4 1 1 1 1 1 2 2 3 1 0 7 3 4 5 9 3 2 1 1 1 7 2 6 10 11 35 6 5 3 3 4 5 7 3 4 24 4 1 1 1 3 6 25 100 1 2 9 20 5 3 3 5 13 1 1 2 2 1 1 1 1 4 18 13 14 7 8 7 3 2 2 3 2 6 8 7 4 10 9 6 3 13 21 4 2 2 3 3 5 2 1 1 0 1 1 1 1 1 1 1 2 15 35 2 43 19 9 2 2 4 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 4 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 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 1 1 0 1 1 1 0 0 1 1 1 3 3 2 1 4 3 2 2 1 3 2 3 9 31 35 9 6 10 3 4 9 6 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 5 15 35 9 3 3 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 89 s 1H \| 81 81 s 1H \| 77 76 q 1H J 7 \| 49 49 t 1H J 32 \| 43 43 dtd 1H J 8 61 124 \| 42 41 m 1H \| 38 38 ddd 1H J 37 59 111 \| 37 36 ddd 1H J 37 60 111 \| 31 31 s 3H \| 26 25 dt 1H J 60 161 \| 23 22 dt 1H J 62 163 \| 19 18 dddd 1H J 33 64 87 147 \| 18 17 m 1H \| 17 15 m 4H \| 15 14 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCn1nc2c(=O)[nH]c3ccccc3c2c1C(=O)O	ir: 1 1 1 1 1 1 0 1 2 1 2 1 1 1 1 1 1 1 2 5 8 4 20 13 4 6 16 5 9 3 2 2 2 2 1 1 2 1 2 1 1 1 1 11 5 2 9 2 2 0 1 1 1 0 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 10 19 2 1 1 1 1 1 1 1 3 1 1 1 1 1 1 2 3 2 1 2 2 1 2 4 2 4 2 1 1 1 1 1 1 1 1 1 1 0 2 2 2 2 1 1 1 0 1 2 2 1 1 1 1 2 4 11 2 1 4 3 1 2 1 2 10 2 1 1 1 1 2 1 2 0 1 2 10 2 1 1 0 3 18 1 1 4 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 3 2 1 2 11 5 4 1 1 1 1 1 1 27 100 6 1 1 1 1 1 1 1 1 1 1 2 5 2 4 7 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 81 80 dd 1H J 14 78 \| 75 74 td 1H J 13 77 \| 74 74 m 2H \| 43 43 t 2H J 43 \| 19 18 qt 2H J 44 77 \| 9 9 t 3H J 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C/C(=N\O[C@H]1CCNC1)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1	ir: 3 11 7 11 3 8 12 8 4 16 24 26 8 26 21 23 11 6 7 14 7 8 12 8 9 6 4 3 5 5 13 11 5 6 15 8 6 10 6 13 12 10 10 12 11 10 18 16 34 10 14 22 10 14 8 9 34 32 9 9 28 29 54 30 10 16 17 13 31 39 15 12 6 14 10 12 10 7 7 26 57 7 4 4 6 3 5 5 7 13 25 16 17 25 30 25 27 18 16 7 9 21 20 23 10 18 33 62 100 21 6 14 22 18 29 20 31 7 12 6 16 7 3 13 12 8 5 14 24 12 8 22 28 4 1 15 35 64 20 4 0 5 8 9 9 5 5 3 6 8 9 5 9 18 53 97 15 11 5 4 3 4 3 3 3 5 6 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 5 7 5 5 7 4 5 10 6 5 4 3 7 12 16 11 20 76 74 12 5 4 4 4 3 3 3 3 3 3 3 3 4 4 8 16 58 82 10 7 4 3 4 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3; 1HNMR: 89 88 dd 1H J 17 41 \| 87 87 s 1H \| 82 81 ddd 1H J 8 18 36 \| 81 80 dt 1H J 20 82 \| 75 75 d 1H J 120 \| 74 73 dd 1H J 41 83 \| 58 57 dd 2H J 8 39 \| 39 39 m 1H \| 32 31 ddd 1H J 9 32 128 \| 31 30 m 1H \| 30 29 m 2H \| 25 25 s 2H \| 22 22 p 1H J 32 \| 22 21 m 1H \| 19 18 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNC(=O)Nc1nc2ccc3cc[nH]c3c2s1	ir: 1 1 4 3 2 2 2 6 9 14 2 1 1 1 2 1 1 8 11 6 6 19 20 11 12 1 2 1 1 1 1 4 3 2 1 2 3 3 4 5 2 3 3 9 5 11 32 33 78 25 33 9 3 4 4 3 7 7 3 0 1 1 1 1 2 1 1 1 1 1 1 1 3 1 1 1 3 2 2 1 24 30 1 1 1 1 1 1 2 1 0 1 2 2 1 1 1 2 1 1 8 2 1 2 8 7 2 1 2 1 1 2 2 3 2 1 3 5 4 1 1 10 9 3 3 1 2 2 9 2 1 1 1 1 1 1 3 7 3 6 6 9 4 6 2 4 3 4 1 5 40 55 100 33 13 54 8 3 1 2 2 2 2 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 4 5 5 7 16 16 16 12 10 6 1 1 1 1 1 1 1 1 1 1 1 2 7 5 2 4 6 17 39 42 31 36 10 3 3 4 4 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 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 96 96 s 1H \| 78 78 m 1H \| 78 77 d 1H J 72 \| 72 72 m 2H \| 68 67 m 1H \| 33 32 qd 2H J 37 61 \| 12 12 t 3H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CC(C)NC(=O)c1ccc2c(c1)ncn2Cc1ccc(-c2ccccc2C(=O)O)cc1	ir: 2 5 4 4 3 3 3 5 3 4 3 5 2 3 4 8 10 4 17 3 4 16 34 25 25 4 6 9 5 2 8 8 2 1 4 12 5 5 6 48 94 29 21 15 9 0 2 4 2 1 4 3 5 6 11 2 12 25 3 7 8 5 1 2 1 1 1 1 3 4 5 11 4 5 15 18 14 14 19 44 9 4 7 4 2 2 3 6 9 5 3 2 1 1 1 3 3 5 6 11 2 2 3 6 2 2 6 3 5 4 11 14 12 4 6 3 2 5 4 9 7 8 9 8 5 8 5 3 3 2 4 2 1 1 3 6 2 3 3 2 6 17 25 30 43 16 32 13 17 3 3 5 5 6 2 1 4 8 2 2 1 1 1 1 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 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 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 2 1 0 1 3 2 0 2 4 4 3 3 6 18 6 24 100 49 24 4 6 3 4 2 2 11 23 6 2 1 1 2 2 1 1 2 1 2 6 11 24 31 16 6 2 2 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0; 1HNMR: 82 82 t 1H J 9 \| 80 80 m 2H \| 78 78 dd 1H J 22 88 \| 78 77 ddd 1H J 16 76 90 \| 76 76 d 1H J 88 \| 75 75 m 2H \| 74 74 m 2H \| 72 71 dt 2H J 9 72 \| 69 68 d 1H J 79 \| 55 55 q 2H J 9 \| 40 39 m 1H \| 17 15 m 2H \| 13 12 ddd 1H J 66 76 138 \| 12 12 d 3H J 57 \| 10 9 d 3H J 66 \| 9 9 d 3H J 65	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1cc(Cl)cc(Cl)c1)C1=C(O)N2CCCN=C2S1	ir: 7 5 5 6 7 7 4 7 13 5 5 4 5 3 5 6 7 8 13 10 12 4 11 17 14 10 4 7 7 22 15 12 20 3 3 5 4 3 2 6 4 3 4 6 9 9 47 100 15 12 8 51 7 2 7 9 5 0 8 5 3 0 5 12 6 25 42 19 15 16 11 7 4 3 6 4 14 17 5 7 5 3 5 6 4 6 13 71 23 7 12 23 6 6 6 16 3 3 4 4 2 3 5 4 1 3 5 45 5 5 25 17 4 27 3 4 4 7 5 3 1 4 16 6 3 7 7 3 3 13 4 2 2 5 7 2 2 4 4 12 6 5 5 3 3 9 58 9 68 7 13 22 7 6 87 8 3 10 38 3 20 48 9 1 4 5 3 2 3 4 3 2 3 5 3 2 4 5 4 2 3 4 3 2 3 4 3 2 4 4 2 2 4 4 2 2 4 4 3 2 4 4 2 2 4 4 2 3 4 4 2 3 4 4 2 3 4 4 3 3 4 3 2 3 4 3 2 3 5 3 2 3 4 3 2 3 4 4 2 3 4 3 2 4 4 3 2 4 4 3 2 4 4 3 2 4 4 2 3 4 4 3 3 4 4 3 3 5 4 2 3 5 3 3 4 5 5 2 4 5 4 3 5 17 11 15 23 26 38 13 13 8 4 2 5 9 39 3 3 5 3 4 4 7 4 3 7 6 10 4 6 53 27 41 20 6 5 4 4 9 2 2 4 3 3 2 4 3 2 3 5 3 2 3 4 3 4 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 76 76 d 2H J 22 \| 73 73 t 1H J 21 \| 41 41 dt 1H J 51 110 \| 41 40 m 1H \| 35 34 m 2H \| 21 20 ddt 3H J 51 58 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(Cc2ccccc2)C3=O)cc1	ir: 11 6 9 4 12 9 6 8 5 4 5 6 4 8 7 3 3 3 1 3 2 1 3 4 3 3 4 3 3 6 5 3 7 3 8 4 3 4 2 5 11 2 6 4 2 1 3 2 3 3 31 19 7 3 2 2 2 3 2 1 3 2 2 2 2 2 2 3 5 5 3 1 10 9 1 2 3 2 7 15 4 2 1 1 2 5 3 2 2 8 2 2 1 1 4 5 3 7 5 3 1 3 1 1 1 2 3 1 1 1 1 1 2 2 1 1 1 2 2 3 4 2 2 7 5 16 14 5 3 4 1 1 3 3 4 12 3 1 1 1 1 2 2 10 8 4 4 27 20 7 19 100 0 9 5 11 25 44 9 4 1 1 2 7 16 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 2 1 1 1 1 1 2 2 3 8 4 9 30 10 1 1 2 1 2 1 1 1 1 1 0 1 1 1 0 1 29 24 7 1 1 1 1 1 2 2 2 3 63 48 8 2 4 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 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 79 79 m 2H \| 74 72 m 5H \| 67 66 m 2H \| 47 47 d 2H J 7 \| 45 44 s 2H \| 44 44 s 2H \| 38 37 dd 4H J 48 55 \| 34 34 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1Cc2ccccc2C(c2ccc3ncsc3c2)C1	ir: 14 6 2 12 4 10 4 6 4 2 3 3 4 6 3 2 1 2 1 1 2 2 3 16 4 3 4 9 2 2 1 2 5 2 3 9 16 14 16 22 14 39 38 24 4 5 3 1 11 6 2 0 2 31 81 87 26 23 4 6 3 2 5 5 4 11 14 31 27 6 4 5 6 6 12 12 4 3 6 8 25 34 19 12 9 7 5 4 20 40 36 18 3 5 3 26 47 3 11 14 5 2 3 3 2 5 2 2 3 2 1 2 2 1 4 2 3 4 19 14 1 5 2 5 3 11 8 7 8 3 1 9 15 10 5 2 3 13 35 11 7 15 16 5 24 4 2 2 15 63 9 12 6 7 3 2 1 2 3 11 2 3 4 1 1 2 1 1 1 2 1 1 1 1 1 1 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 1 1 1 1 1 1 2 2 1 2 3 1 1 6 5 5 6 8 20 65 97 100 21 17 10 3 2 3 2 1 1 2 2 1 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 93 93 s 1H \| 77 77 d 1H J 76 \| 75 75 m 1H \| 73 73 m 1H \| 72 71 m 5H \| 43 42 td 1H J 8 46 \| 39 38 dd 1H J 8 135 \| 37 37 dd 1H J 8 134 \| 32 32 dd 1H J 46 117 \| 30 29 dd 1H J 46 117 \| 24 24 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cc1ccc(Cl)cc1OC	ir: 2 7 9 8 10 5 6 4 4 3 1 2 4 3 3 3 3 3 4 3 1 1 2 2 3 15 5 2 3 2 1 1 2 2 3 4 3 4 2 1 2 2 6 6 2 3 6 6 5 6 5 3 5 7 37 37 19 4 2 2 2 1 1 2 38 9 19 33 17 7 2 3 3 2 2 5 3 1 1 1 1 1 1 2 1 1 2 2 2 2 8 6 12 9 22 10 8 12 20 15 12 14 10 3 2 2 1 1 1 2 1 2 2 3 5 3 14 14 5 14 10 27 19 8 5 4 6 2 4 4 4 2 2 1 2 2 2 1 2 3 5 15 32 66 33 17 17 5 12 45 5 7 20 37 9 0 1 3 1 1 4 8 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 4 3 5 3 2 3 5 7 10 37 52 15 56 100 67 17 6 4 2 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 73 72 dt 1H J 9 83 \| 71 70 dd 1H J 21 83 \| 68 68 d 1H J 22 \| 38 38 s 2H \| 37 36 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(C)c1ccc(S(=O)(=O)Nc2cc(-c3ccc4nc(NC(C)=O)cn4n3)cnc2Cl)cc1	ir: 2 5 3 3 5 11 11 6 7 4 4 5 7 4 4 12 6 16 15 9 9 7 16 2 3 7 8 3 3 16 9 2 6 7 3 9 18 10 6 13 15 10 19 64 17 6 19 17 22 12 18 8 4 8 27 5 32 9 9 21 11 7 8 16 17 16 16 6 11 17 12 6 7 7 3 5 6 4 4 4 7 4 3 6 25 15 6 2 6 7 3 2 10 44 5 18 4 2 3 6 5 3 3 4 14 16 100 9 16 6 2 2 2 6 9 5 12 8 11 14 32 25 41 17 5 12 30 19 32 21 5 3 35 5 3 2 2 2 1 3 10 5 14 4 4 1 19 6 3 5 4 7 2 5 3 10 3 30 20 10 26 7 2 3 7 1 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 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 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 2 1 1 1 2 4 1 1 2 1 1 1 3 2 1 2 6 2 6 6 12 17 27 18 28 25 4 6 8 3 3 5 4 2 3 2 3 2 2 3 7 46 44 29 37 19 20 15 49 64 41 28 10 3 1 2 2 1 1 2 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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; 1HNMR: 100 100 s 1H \| 90 89 d 1H J 18 \| 83 83 s 1H \| 81 81 d 1H J 16 \| 79 79 d 1H J 88 \| 78 78 m 2H \| 76 76 d 1H J 86 \| 74 74 m 2H \| 41 40 m 1H \| 40 40 dq 1H J 52 63 \| 24 24 dd 3H J 16 52 \| 22 22 s 3H \| 15 14 d 3H J 58	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
[O-][n+]1cccc2c(C(F)(F)F)n[nH]c21	ir: 10 7 6 5 5 5 5 6 4 4 4 8 5 4 4 4 5 4 4 5 5 4 4 5 7 6 4 6 10 0 100 1 2 7 5 8 24 9 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 7 5 4 4 5 4 4 4 4 4 4 4 4 4 4 4 5 6 4 5 7 4 4 4 4 4 4 4 4 4 4 5 5 7 4 5 5 5 28 10 22 17 7 13 10 4 11 7 4 5 4 4 4 4 4 4 4 4 4 4 4 5 6 9 4 4 4 4 4 4 8 4 5 8 6 5 4 4 4 4 4 4 4 4 4 6 19 9 7 5 4 4 4 4 4 6 4 4 4 4 4 16 5 8 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 6 23 11 3 11 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 22 8 6 7 11 5 5 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 43 43 dd 1H J 16 59 \| 34 34 t 1H J 60 \| 32 32 dd 1H J 15 60 \| 23 23 s 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)[C@@]1(F)[C@@H]2C[C@@H](OCc3ccc(Cl)c(Cl)c3)C(=O)[C@@H]21	ir: 2 3 11 6 5 6 8 7 4 11 12 9 15 15 42 42 56 34 23 11 17 6 4 7 2 4 6 10 20 23 28 59 100 84 46 42 43 28 11 26 11 10 4 14 10 14 4 4 3 4 5 15 30 22 18 9 7 3 3 2 2 4 3 6 4 6 15 9 27 7 5 5 10 8 7 3 5 5 7 3 4 5 2 2 2 4 4 8 33 9 2 9 20 25 5 6 4 25 25 3 6 3 1 2 4 4 1 2 4 3 2 3 7 8 7 6 3 3 4 6 14 10 11 21 13 8 5 5 4 7 1 3 3 2 2 5 9 26 1 4 3 1 2 5 4 8 15 47 22 10 6 5 9 13 17 33 48 36 44 12 23 5 4 5 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 4 4 4 4 4 0 3 7 5 5 17 16 18 62 21 9 6 6 4 3 2 3 3 3 2 2 2 2 7 6 6 15 5 3 3 3 2 1 2 3 1 4 9 53 64 7 4 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 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 2 1 2 2; 1HNMR: 75 74 d 2H J 26 \| 74 74 dt 1H J 9 20 \| 74 73 d 1H J 81 \| 72 71 ddt 1H J 9 19 81 \| 47 46 dt 1H J 8 117 \| 46 45 dt 1H J 9 119 \| 43 42 dd 1H J 32 50 \| 35 34 m 1H \| 27 26 dtd 1H J 14 53 66 \| 23 22 ddt 1H J 31 71 134 \| 22 21 dtd 1H J 31 51 134	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C(=O)O)c1ccc2oc(-c3ccc(F)cc3)nc2c1	ir: 2 1 1 2 4 3 6 5 5 3 3 10 6 17 11 20 29 9 8 26 58 66 34 13 15 28 12 9 3 5 2 3 4 4 5 3 3 3 3 1 5 3 2 2 3 4 9 2 3 5 2 4 13 49 49 55 56 15 3 3 4 17 2 0 5 18 2 19 6 5 4 4 7 2 3 14 17 16 24 22 11 7 8 4 6 7 6 5 16 3 2 4 4 3 3 8 4 11 6 4 2 2 3 1 2 2 5 4 1 2 5 6 8 8 5 5 2 4 5 6 9 13 5 4 3 5 9 21 6 11 5 10 9 5 3 3 5 8 27 10 2 8 17 13 20 2 4 6 8 28 15 17 3 4 5 3 2 2 1 2 1 1 4 22 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 4 5 6 0 5 12 4 0 57 100 48 14 6 0 4 10 3 10 40 38 17 5 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 82 m 2H \| 78 78 dd 1H J 8 17 \| 75 75 d 1H J 90 \| 74 73 m 3H \| 38 38 m 1H \| 15 15 d 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCS(Cc1ccnc(Nc2cc(-c3ccc(F)cc3OC)ncn2)c1)=NC(=O)C(F)(F)F	ir: 0 1 1 1 2 3 2 3 1 1 1 1 0 1 1 1 1 1 5 3 2 5 3 2 6 5 8 4 2 4 5 3 3 4 8 15 14 12 7 3 2 2 2 1 0 1 1 1 1 0 1 1 1 1 6 4 2 1 4 2 1 1 1 1 3 2 4 11 18 6 2 1 2 3 2 1 1 1 0 1 4 3 8 1 1 1 1 2 4 4 5 2 1 2 2 1 1 2 23 13 1 1 1 0 1 0 0 0 3 1 5 9 2 1 1 1 1 2 2 3 3 1 1 1 1 8 2 1 1 1 1 1 2 2 1 1 0 1 1 1 2 19 2 1 5 10 2 1 7 6 4 2 5 12 6 1 1 2 1 7 4 4 6 100 3 1 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 0 1 1 2 1 7 4 3 5 28 23 4 2 1 1 1 1 0 1 1 0 0 0 1 1 0 1 1 0 1 1 1 2 9 6 40 11 4 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 s 1H \| 86 85 d 1H J 14 \| 81 81 d 1H J 39 \| 78 77 dd 1H J 49 88 \| 72 72 dt 1H J 10 22 \| 71 70 m 3H \| 67 67 dd 1H J 21 122 \| 41 41 t 2H J 9 \| 39 39 s 2H \| 30 29 q 2H J 74 \| 15 14 t 3H J 74	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOCc1nc(Cl)c2[nH]cc(I)c2n1	ir: 3 4 4 2 1 2 3 2 2 1 1 1 1 1 1 1 1 1 4 4 3 2 1 1 1 2 1 1 1 1 1 1 5 3 2 11 7 8 1 1 1 1 1 1 4 5 1 1 1 4 3 5 3 0 1 4 9 14 13 7 4 3 2 1 1 4 4 16 14 2 6 7 39 15 4 9 6 3 1 0 1 2 1 0 1 1 2 4 7 3 3 2 1 1 0 0 1 1 1 1 1 1 2 17 6 19 3 3 2 10 24 15 7 36 49 21 2 22 17 6 6 4 1 16 20 14 8 2 3 3 3 6 1 1 1 1 1 1 1 1 1 1 7 7 1 1 1 1 2 2 1 1 1 0 1 1 1 1 2 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 0 0 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 1 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 2 3 4 6 5 8 5 2 4 6 6 5 4 4 4 9 19 23 31 27 5 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 4 100 41 37 4 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 83 82 d 1H J 88 \| 47 47 s 2H \| 37 36 q 2H J 60 \| 12 12 t 4H J 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C)n1cc(-c2ccnc(C#N)c2)c(-c2ccc(Cl)s2)n1	ir: 2 6 2 5 9 3 4 3 2 2 3 3 2 7 4 3 3 3 5 5 2 10 3 2 1 2 3 3 3 3 3 3 3 6 4 2 1 3 2 2 2 4 5 1 9 5 8 3 9 8 5 4 7 4 3 2 2 11 3 3 10 4 7 2 2 3 2 4 5 4 28 4 4 5 2 2 7 3 2 2 5 6 7 2 3 12 2 1 2 4 5 4 7 7 2 5 3 4 9 4 4 4 12 3 4 10 9 2 6 16 9 5 5 4 3 11 9 18 19 9 8 9 2 4 4 3 1 2 3 11 10 4 7 3 3 3 3 2 4 2 3 2 24 3 2 1 1 3 2 1 2 8 2 1 1 2 2 1 1 2 2 12 1 2 2 1 1 2 2 2 1 2 1 1 0 6 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 5 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 0 1 2 1 0 2 2 1 1 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 2 2 3 2 2 2 4 5 2 2 4 4 4 2 3 4 3 2 4 10 12 35 14 15 100 8 23 24 2 2 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 87 86 d 1H J 45 \| 78 78 d 1H J 22 \| 76 76 m 2H \| 72 72 d 1H J 73 \| 71 71 d 1H J 71 \| 41 40 m 1H \| 19 18 dqd 1H J 35 78 135 \| 17 16 dqd 1H J 35 78 135 \| 12 12 d 3H J 51 \| 10 9 td 3H J 15 77	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(O)nc(SCc2cnc(Cl)n2C(C)C)n1	ir: 4 2 4 9 4 4 15 3 9 2 1 2 2 2 0 1 2 12 11 5 2 5 1 1 2 1 1 3 4 1 0 1 1 1 1 1 1 1 2 4 21 2 4 7 2 0 1 2 3 2 1 2 1 0 2 4 9 4 1 27 1 1 4 3 2 1 11 3 2 9 17 10 3 2 4 6 4 4 8 3 2 8 25 9 4 40 2 3 12 10 3 9 3 1 2 2 1 1 3 4 7 4 9 6 17 36 21 7 6 6 3 4 4 12 5 5 9 17 21 11 15 10 4 4 8 6 4 3 1 8 16 4 10 7 6 2 2 4 6 2 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 11 2 0 1 1 1 0 1 1 1 1 9 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 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 3 4 9 3 4 3 2 6 7 8 5 4 3 14 14 79 42 43 23 7 14 26 10 5 3 4 5 100 9 2 1 2 1 1 1 2 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 65 65 d 1H J 9 \| 59 58 s 1H \| 47 46 d 2H J 7 \| 46 45 p 1H J 54 \| 24 23 s 3H \| 16 15 d 7H J 55	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(NC(=O)c2cc(OC(F)(F)F)ccc2F)ccn1	ir: 3 2 2 2 5 6 7 4 3 6 5 5 3 8 10 6 10 5 8 4 1 3 3 5 4 3 8 4 2 1 4 8 11 14 7 4 4 3 2 1 4 6 7 10 9 26 36 9 7 0 1 3 2 1 19 14 4 0 1 2 1 1 1 2 15 6 12 23 17 8 8 20 11 10 8 3 1 1 6 3 1 1 1 2 1 1 3 2 4 9 3 3 2 1 2 8 1 11 14 13 5 14 4 20 53 6 3 1 1 1 1 9 13 8 1 1 1 1 2 2 3 4 3 2 3 4 2 3 3 1 1 1 1 1 1 4 23 7 8 3 1 2 2 3 6 11 11 6 19 21 15 11 37 61 10 6 5 1 2 2 4 100 39 13 3 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 2 1 2 3 3 8 14 51 37 26 4 2 2 1 2 2 2 1 1 1 1 1 1 1 1 1 2 2 6 6 5 13 30 16 6 1 3 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 98 97 s 1H \| 81 80 d 1H J 43 \| 77 77 dd 1H J 26 35 \| 74 73 m 3H \| 70 70 d 1H J 21 \| 40 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1Nc2cc(-c3ccccc3)ccc2CCC1(Cl)Cl	ir: 1 1 1 1 2 3 2 1 3 1 1 1 1 4 3 1 1 3 41 3 10 12 1 1 1 1 1 1 2 3 41 25 4 8 1 5 10 100 8 3 7 37 18 0 2 3 5 0 1 2 2 0 1 4 10 4 6 1 1 1 1 1 2 2 1 0 5 23 10 5 2 3 4 10 3 2 2 2 2 1 1 1 2 4 2 1 1 1 2 9 3 2 3 7 3 1 1 2 5 7 3 1 2 1 1 1 0 1 1 1 1 3 3 3 1 15 4 3 5 2 2 1 2 1 2 3 2 2 2 2 11 8 7 1 3 29 4 1 0 1 3 6 51 6 10 8 1 1 5 19 7 34 4 4 22 24 3 3 24 4 1 1 1 2 11 1 1 1 1 1 1 1 1 1 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 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 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 2 4 2 1 1 1 1 8 6 9 16 56 21 9 7 3 5 1 1 1 1 1 1 0 1 1 1 1 2 2 3 2 3 5 12 25 39 22 5 3 2 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 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 87 87 s 1H \| 78 77 d 1H J 22 \| 75 74 m 5H \| 74 73 m 1H \| 72 71 dt 1H J 9 84 \| 30 29 td 2H J 9 84 \| 26 26 t 2H J 83	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1n[nH]c2nc(N3CCCCC3)cc(-c3ccc(Oc4ccccc4)cc3)c12	ir: 2 3 1 1 13 2 2 2 1 1 1 2 1 2 4 2 3 4 3 2 3 3 3 2 2 2 3 2 1 2 1 1 1 5 3 1 1 1 1 1 6 4 13 7 3 3 1 1 1 1 5 0 1 1 1 8 16 3 1 0 1 1 0 0 1 3 2 3 16 2 1 1 4 0 0 0 1 1 2 0 1 1 1 5 0 1 0 1 1 3 1 1 1 1 5 1 1 1 14 7 2 1 0 0 1 0 0 0 2 5 4 6 7 2 1 1 1 1 6 5 1 1 1 2 1 1 1 0 1 0 0 1 2 2 2 1 0 0 0 0 1 3 4 5 1 1 3 3 1 2 2 3 8 24 30 8 13 2 1 3 8 1 1 5 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 2 3 8 25 5 3 2 2 0 0 0 0 0 1 0 0 0 0 0 0 1 15 2 0 0 1 0 1 2 4 5 2 4 7 100 10 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 s 1H \| 75 74 m 2H \| 74 73 m 3H \| 72 72 m 2H \| 71 71 tt 1H J 14 75 \| 70 70 m 2H \| 63 62 s 2H \| 36 35 m 4H \| 16 15 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

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