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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
Cn1cc(C(=O)c2ccc3ccccc3c2)cc1C(=O)CCl	ir: 1 1 1 2 5 2 2 2 3 2 3 17 3 2 1 1 1 1 1 1 2 4 1 1 3 2 2 6 4 3 3 3 1 3 2 11 22 4 2 4 4 14 100 51 8 10 9 2 3 3 1 0 1 6 4 5 1 3 1 0 8 4 2 2 2 1 2 2 3 3 2 3 9 3 1 2 3 4 2 2 2 1 1 1 2 1 3 2 3 4 2 1 1 1 2 1 3 6 2 2 7 9 3 11 9 3 5 2 3 4 3 3 3 2 2 2 1 9 30 5 13 12 12 7 6 3 3 18 2 5 2 2 2 1 5 13 2 3 1 1 4 7 21 8 39 55 10 47 17 2 1 1 2 7 2 2 3 30 4 2 2 2 1 1 1 0 1 1 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 0 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 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 4 3 2 1 2 2 1 2 8 15 11 7 27 25 24 30 9 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 84 83 m 1H \| 80 79 m 3H \| 79 78 dd 1H J 16 84 \| 77 76 ddd 1H J 11 68 79 \| 76 75 ddd 1H J 16 71 86 \| 74 73 d 1H J 16 \| 71 70 d 1H J 16 \| 48 47 s 2H \| 39 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCNCCc1ccccc1	ir: 3 1 2 1 0 1 1 1 1 1 1 3 5 2 0 0 0 0 0 0 1 2 2 1 3 3 1 1 1 6 7 4 1 0 1 1 2 1 2 17 9 4 3 6 10 5 3 3 5 8 7 5 5 2 1 2 3 1 1 0 1 1 2 5 2 10 4 20 13 4 2 2 2 2 31 42 6 4 3 1 1 0 0 0 0 1 0 0 1 16 1 1 3 1 2 1 2 12 8 4 6 1 0 1 2 4 4 21 100 5 9 14 11 4 4 5 5 10 5 3 1 4 3 4 2 4 2 4 3 3 3 3 9 4 5 10 4 3 2 1 0 2 10 7 24 8 11 2 1 1 1 3 3 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 9 11 10 6 12 11 5 1 1 2 2 1 1 1 1 1 0 1 1 2 2 4 33 44 14 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 m 2H \| 73 72 m 3H \| 40 39 p 1H J 48 \| 36 36 s 2H \| 30 29 m 4H \| 27 26 tt 2H J 9 54 \| 25 25 t 2H J 57	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@@]1(O)CC(=O)OCc2c1cc[nH]c2=O	ir: 17 9 2 8 17 11 0 9 15 13 3 13 15 8 11 13 18 11 4 9 16 10 15 19 16 4 6 14 11 4 3 12 11 6 23 32 20 5 6 12 10 5 13 16 40 50 84 26 29 13 9 16 8 4 11 15 8 1 7 14 8 1 8 14 7 3 9 15 9 8 16 14 7 4 16 38 60 48 29 15 11 6 24 24 20 10 16 12 5 14 16 10 8 9 17 16 9 7 14 13 4 15 22 22 9 9 13 10 3 7 13 8 0 8 14 11 6 13 16 15 17 15 14 10 9 10 15 9 23 27 22 7 5 13 13 5 6 11 14 6 10 49 37 32 35 28 33 6 5 11 10 3 5 11 9 3 7 9 18 36 51 26 8 3 6 12 7 1 6 12 7 1 6 12 6 2 7 12 6 2 7 11 5 2 8 11 5 2 8 10 5 3 9 10 4 3 9 10 4 4 9 9 4 4 10 9 3 4 10 8 3 5 10 8 2 5 11 8 2 6 11 7 2 6 11 7 1 6 12 6 1 7 11 6 2 7 11 6 2 7 11 5 3 8 10 5 3 8 10 5 3 8 9 4 4 9 9 4 4 9 9 4 5 10 9 3 5 10 8 3 6 11 8 5 7 13 11 6 8 15 10 4 8 15 34 4 9 16 27 29 17 18 11 6 28 53 13 5 10 12 7 4 10 12 6 4 10 12 6 6 18 100 74 23 10 10 7 7 13 10 6 6 10 8 4 6 10 8 3 6 10 7 3 6 11 7 2 6 10 7 2 6 11 6 2 7 10 6 3 7 10 6 3 7 10 5 3 7 9 5 3 8 9 5 4 8 9 5 4 8 8 4 4 9 8 4 5 9 8 4 5 9 8 3 5 9 7 3 6 10 7 3 6 10 7 3 6 10 6 3; 1HNMR: 78 77 dd 1H J 61 71 \| 70 70 d 1H J 70 \| 50 49 d 2H J 22 \| 44 43 s 1H \| 29 28 d 1H J 174 \| 27 26 d 1H J 174 \| 21 20 dq 1H J 77 139 \| 18 17 dq 1H J 77 138 \| 10 9 t 3H J 78	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCNC(=O)c1ccc(Nc2ccnc3ccccc23)cc1	ir: 2 2 11 4 5 6 2 3 5 3 5 3 3 4 2 7 4 9 3 6 7 9 2 6 11 9 3 2 3 2 6 2 3 5 22 1 2 5 20 28 16 7 15 12 6 1 4 2 5 4 7 1 2 1 3 1 7 7 4 2 1 2 10 1 1 0 1 1 1 0 8 2 8 3 7 4 2 4 9 2 1 1 2 1 4 2 2 1 1 2 1 1 2 2 4 4 2 0 2 3 1 1 1 1 7 6 3 3 4 3 1 5 6 17 7 5 2 5 1 7 5 4 7 2 3 7 2 2 1 1 3 2 0 1 1 1 2 4 29 2 2 7 8 70 22 29 22 20 19 11 1 5 26 10 6 5 5 0 1 4 36 10 3 6 11 35 6 0 1 2 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 3 1 2 3 1 2 1 2 2 5 7 8 18 100 9 6 4 3 2 1 2 1 0 1 1 3 1 2 2 2 1 1 3 4 6 7 29 39 100 32 12 7 4 2 2 1 1 0 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 d 1H J 42 \| 83 82 m 1H \| 80 80 dd 1H J 14 81 \| 79 78 m 2H \| 77 77 ddd 1H J 13 69 80 \| 76 75 ddd 1H J 13 68 83 \| 72 71 t 1H J 50 \| 70 70 m 3H \| 63 63 s 1H \| 33 33 q 2H J 53 \| 16 15 tt 2H J 54 71 \| 14 12 m 6H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)Nc1nnc2cc(COc3cc(Cl)cc(Cl)c3)c(C3CC3)cn12	ir: 2 2 5 9 4 3 7 3 3 6 4 2 1 3 2 3 3 1 1 1 1 1 1 4 5 3 4 4 5 12 4 2 1 2 2 2 3 2 5 4 4 7 12 5 4 8 14 13 5 2 3 19 26 17 22 12 10 5 28 14 5 6 3 7 13 21 13 16 33 3 12 4 5 9 7 1 1 2 1 0 1 1 1 3 2 3 10 42 40 3 8 15 4 2 4 3 5 13 16 72 9 4 5 11 10 8 8 4 3 6 29 19 12 2 1 1 2 2 1 3 2 6 3 7 5 6 8 6 8 5 1 2 3 12 11 1 1 5 3 3 3 11 4 1 1 2 4 32 17 2 2 5 1 7 10 3 4 9 11 13 4 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 2 12 11 40 19 21 18 28 50 28 30 7 19 2 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 3 1 5 100 9 5 3 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 92 91 d 1H J 17 \| 74 73 m 1H \| 71 71 t 1H J 22 \| 69 69 d 2H J 22 \| 52 52 d 2H J 13 \| 31 30 s 3H \| 30 29 pd 1H J 17 54 \| 14 13 m 2H \| 11 10 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Oc2ncnc3ccn(C)c23)ccc1NC(=O)Nc1cccc(C(F)(F)F)c1	ir: 0 3 4 3 7 6 5 2 0 3 5 3 0 8 16 11 3 4 5 3 1 3 3 3 3 6 8 1 1 4 5 10 7 8 2 8 10 8 22 73 55 14 69 76 8 25 9 5 41 4 6 4 7 5 26 22 14 5 8 0 3 2 2 3 9 9 4 7 6 14 7 11 13 7 3 1 3 3 2 2 2 3 2 1 3 3 2 4 3 4 4 14 13 22 14 15 14 5 11 30 9 29 16 9 9 12 2 2 3 1 1 3 10 25 12 4 4 3 5 5 6 3 1 3 4 4 2 6 12 8 4 3 3 1 1 2 13 9 2 5 6 12 1 3 3 3 2 3 4 13 51 43 38 75 41 35 31 21 9 4 2 3 14 11 4 1 2 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 2 0 1 3 1 0 1 3 1 0 1 2 1 0 2 2 1 1 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 1 3 2 1 1 4 2 1 3 5 4 3 5 9 14 47 30 15 6 15 16 9 3 2 3 4 1 0 2 3 1 1 3 3 3 3 10 18 38 100 21 7 5 3 5 6 5 3 2 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 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 0 1 2; 1HNMR: 85 85 s 1H \| 83 83 s 1H \| 81 80 s 1H \| 79 79 t 1H J 21 \| 75 74 m 2H \| 74 73 m 2H \| 72 72 ddd 1H J 13 22 102 \| 72 71 dd 1H J 21 87 \| 68 67 m 1H \| 64 64 d 1H J 49 \| 39 39 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.
CC(C)(C)OC(=O)NCC(NC(=O)OCc1ccccc1)C(=O)O	ir: 14 8 9 3 2 2 3 2 10 4 3 4 5 5 15 8 1 5 6 5 11 75 4 8 16 14 22 38 52 8 14 23 24 4 17 5 3 3 2 9 11 2 2 3 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 2 3 2 2 7 3 2 2 3 2 2 1 2 2 2 9 23 9 24 5 2 3 4 3 5 25 5 6 2 2 2 2 2 3 5 3 4 3 8 1 2 3 3 3 6 6 5 7 2 5 3 1 3 2 5 3 3 2 13 8 12 27 9 5 10 5 6 4 6 4 3 1 2 2 5 2 3 2 2 4 11 14 33 27 63 15 15 11 100 8 3 1 4 2 0 1 2 1 1 2 2 2 0 1 2 1 1 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 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 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 2 3 2 1 2 2 2 1 2 2 2 2 4 6 10 7 12 64 11 6 3 2 1 2 2 2 9 26 25 4 2 2 1 1 1 2 1 1 5 5 32 43 82 34 12 5 4 1 2 2 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 74 73 m 6H \| 71 71 d 1H J 88 \| 63 63 t 1H J 65 \| 51 51 s 2H \| 45 44 dt 1H J 44 88 \| 37 36 ddd 1H J 45 65 137 \| 35 34 ddd 1H J 44 64 136 \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1cnc2cc(Br)sc2c1Cl	ir: 2 2 1 1 2 1 1 1 2 7 8 2 4 12 3 6 15 42 1 16 51 13 7 6 4 2 3 3 2 2 5 5 3 4 12 5 6 2 2 2 10 44 8 3 4 1 2 2 2 12 18 2 1 1 1 2 2 6 1 2 1 1 1 2 2 1 1 2 1 1 2 2 1 1 3 3 2 1 3 3 4 6 5 3 13 28 3 2 1 1 2 2 1 1 16 2 2 2 2 1 1 1 1 1 0 1 2 10 1 1 2 1 0 1 1 2 1 1 1 1 0 1 2 1 1 1 2 5 6 2 2 1 0 1 2 1 2 2 2 0 0 2 2 0 0 13 1 1 0 2 13 1 0 13 100 8 3 19 58 14 9 5 3 3 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6 7 7 1 2 1 1 1 1 1 1 1 1 1 1 1 2 5 1 1 2 1 1 1 1 2 1 1 3 9 19 4 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 89 89 s 1H \| 75 75 s 2H \| 73 73 s 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]c(=O)n(C2CCCS2=O)cc1F	ir: 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 9 2 2 2 1 1 6 7 1 2 2 2 3 1 3 2 1 2 3 2 1 1 2 2 1 2 3 2 10 56 100 41 2 3 5 2 1 2 4 4 2 2 3 2 1 2 3 1 1 2 2 1 1 2 2 3 2 3 2 1 1 2 3 1 1 3 3 2 2 2 2 1 2 6 3 1 2 7 8 4 2 4 2 0 3 4 10 2 5 6 2 3 7 4 3 2 2 3 2 2 3 4 3 1 2 3 2 1 2 2 3 4 4 3 1 1 2 2 1 1 2 2 1 1 3 6 11 4 16 18 12 2 2 2 1 1 2 2 3 38 16 2 0 1 3 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 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 4 3 1 4 5 4 3 4 6 5 2 2 2 2 1 8 7 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 6 12 19 6 4 5 3 3 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 79 78 dd 1H J 18 75 \| 49 48 td 1H J 18 56 \| 29 28 m 1H \| 28 27 m 1H \| 23 22 m 1H \| 22 21 m 1H \| 21 19 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCN1C(=O)CC1CO	ir: 13 9 6 4 3 5 8 3 3 3 3 4 3 3 1 2 11 9 5 5 5 6 22 35 24 8 4 3 2 4 11 5 3 3 3 1 1 2 2 2 2 2 5 5 4 7 3 1 1 2 2 0 1 4 2 1 4 5 2 1 2 4 4 5 6 6 6 1 3 4 7 14 8 6 8 12 8 11 4 6 13 6 10 10 9 26 13 14 59 39 51 31 27 16 10 9 5 11 5 7 11 4 5 3 2 4 10 12 46 58 7 17 7 9 5 5 9 10 15 10 12 3 6 5 4 4 4 2 3 4 4 3 5 4 14 34 20 4 7 3 6 5 9 33 78 42 3 4 5 15 35 23 2 3 1 0 2 1 1 1 1 1 2 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 3 2 1 2 4 4 7 9 4 3 13 17 26 23 14 15 14 11 14 31 25 20 22 34 9 6 7 17 53 74 100 68 35 17 4 4 12 8 6 15 12 12 9 7 4 5 5 3 6 11 14 13 3 4 3 2 1 2 2 2 1 2 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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; 1HNMR: 42 41 q 2H J 66 \| 40 39 dt 1H J 65 123 \| 39 38 ddd 1H J 44 53 108 \| 38 37 tt 1H J 44 64 \| 37 36 dt 1H J 66 123 \| 36 36 ddd 1H J 45 54 108 \| 35 34 t 1H J 54 \| 30 29 dd 1H J 64 139 \| 27 26 m 2H \| 27 26 m 1H \| 13 12 t 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2c(Br)nccc12	ir: 2 3 3 3 4 25 10 6 7 6 6 5 4 12 4 6 1 3 3 6 8 4 2 3 14 3 10 100 80 30 10 11 7 19 63 84 17 21 18 8 7 13 17 2 3 8 3 16 7 17 12 0 2 4 3 3 3 5 2 1 2 5 2 2 3 4 2 3 11 18 5 2 3 7 17 7 4 9 6 4 4 4 1 2 4 7 16 2 3 4 10 35 8 11 9 7 10 4 1 3 11 12 3 4 4 4 9 14 13 6 1 5 12 4 8 4 8 9 20 12 18 13 7 9 13 4 1 5 11 32 12 23 16 6 25 26 10 4 4 14 15 5 24 26 3 9 8 22 9 24 13 13 26 9 2 3 3 2 7 4 10 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 3 3 1 1 3 3 1 2 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 1 1 3 3 2 2 3 2 1 2 3 3 2 2 3 3 2 3 4 4 2 3 7 3 3 5 5 6 4 15 9 34 42 48 8 15 17 8 10 4 3 2 5 2 1 3 3 2 1 3 3 2 2 4 3 2 13 20 14 15 10 9 5 2 2 3 4 2 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 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 2 2 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: 85 84 m 2H \| 82 82 d 1H J 45 \| 75 74 m 5H \| 43 42 dqd 1H J 29 55 114 \| 39 39 dd 1H J 30 107 \| 38 36 m 5H \| 34 34 dd 1H J 57 108 \| 14 13 d 3H J 82	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1c(Cl)cc(C(=O)O)c2nc(Cl)cn12	ir: 1 3 5 5 2 2 2 2 2 1 1 1 1 1 2 2 1 1 1 0 1 3 8 26 3 2 1 1 1 1 2 1 1 4 6 1 1 1 1 0 1 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 2 3 3 2 2 2 1 0 1 1 0 0 1 1 0 1 2 2 5 11 0 0 0 1 0 1 1 1 1 0 1 0 0 0 0 0 0 0 1 1 3 3 1 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 3 1 0 0 0 0 1 1 1 1 1 1 0 0 0 1 0 0 1 0 0 0 3 3 10 7 3 3 0 1 8 2 1 1 0 0 1 1 3 6 6 1 1 1 2 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 1 1 1 1 1 0 1 0 1 1 4 3 4 1 1 1 0 0 3 7 1 0 1 1 0 0 1 21 26 1 0 0 1 1 0 0 1 1 0 65 100 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 s 1H \| 75 75 s 1H \| 61 61 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cn([C@H]2C[C@@](O)(N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O	ir: 5 6 3 5 6 6 4 5 4 2 5 6 5 7 3 3 4 7 3 3 6 3 2 2 3 3 4 10 5 3 3 2 3 2 2 3 3 2 2 3 3 2 2 2 4 3 2 2 2 5 3 9 17 82 100 82 14 2 4 6 6 8 14 7 5 3 3 5 2 1 3 4 4 16 8 12 12 18 7 5 2 8 11 12 15 30 32 23 10 5 9 6 3 5 5 3 5 5 7 3 6 4 6 6 13 4 2 2 3 3 4 6 11 8 6 6 3 4 4 6 18 10 4 6 7 4 4 3 3 3 3 2 3 3 4 3 3 8 5 1 1 2 1 2 2 1 1 2 3 1 4 39 23 8 20 36 36 8 3 1 2 4 3 1 37 18 6 0 2 3 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 3 5 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 1 2 2 1 2 2 2 2 2 4 3 3 3 3 4 4 5 4 6 7 3 2 3 4 4 12 16 10 13 81 43 5 5 5 2 1 2 3 1 0 2 3 3 4 13 39 43 22 6 10 7 3 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 99 98 s 1H \| 75 74 p 1H J 15 \| 62 62 ddt 1H J 15 48 64 \| 42 41 t 1H J 53 \| 39 39 tt 1H J 16 36 \| 37 36 ddd 1H J 37 53 121 \| 35 34 ddd 1H J 37 53 119 \| 34 34 s 1H \| 26 25 m 2H \| 19 18 d 3H J 14	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(OCC)c1cc(SCC2CCCCC2)ccc1Br	ir: 1 2 4 4 0 1 2 2 1 4 8 1 0 1 1 0 0 1 1 1 1 13 2 1 0 1 1 1 3 3 3 0 0 1 1 4 6 7 8 5 5 3 2 1 1 2 2 2 2 2 2 7 3 11 59 21 10 11 1 1 1 3 5 3 2 6 11 19 20 9 4 5 18 8 16 11 16 58 38 16 3 1 2 2 3 2 7 3 4 20 3 4 3 2 2 6 5 2 1 3 3 3 4 5 7 6 6 6 8 7 8 19 30 31 7 11 4 9 8 12 14 9 4 3 6 2 3 10 37 20 4 2 1 1 1 3 4 1 2 31 2 1 1 1 1 1 6 36 22 3 1 2 13 3 1 3 1 0 1 16 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 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 2 6 3 2 2 3 5 3 5 7 3 3 8 5 11 21 29 20 44 100 32 6 11 6 4 5 2 1 1 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 76 75 d 1H J 84 \| 75 74 dd 1H J 7 21 \| 72 71 dd 1H J 21 85 \| 57 56 s 1H \| 37 36 dq 2H J 61 114 \| 36 35 dq 2H J 61 113 \| 28 28 d 2H J 53 \| 17 16 hept 1H J 55 \| 16 13 m 8H \| 13 12 m 1H \| 13 12 t 7H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1[nH]c(C(=O)NC2CCN(c3nccs3)CC2)cc1Br	ir: 0 7 24 9 24 16 15 5 2 5 12 13 2 13 1 2 4 7 11 13 5 8 6 3 6 6 6 5 14 15 5 2 2 3 3 1 5 27 11 6 6 5 6 26 6 4 4 5 8 20 7 6 12 15 38 21 8 7 20 26 5 4 3 4 16 28 10 9 16 12 10 9 9 12 17 9 6 6 2 1 3 4 1 3 9 23 19 10 4 7 18 18 6 4 4 13 4 8 23 100 20 11 6 19 25 28 24 48 31 44 64 17 45 24 2 10 28 17 12 11 25 8 23 20 11 6 14 10 15 15 9 12 16 7 7 8 7 31 53 11 9 46 53 43 25 1 4 8 18 18 3 7 12 33 5 5 8 2 2 3 2 0 1 3 2 1 1 3 1 1 2 3 2 0 1 3 1 1 2 3 1 1 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 1 2 1 1 1 2 1 0 1 2 2 1 1 2 1 0 1 3 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 3 2 2 2 3 2 3 3 3 3 3 5 5 11 13 11 18 20 27 18 10 10 15 37 22 22 68 27 36 76 43 78 12 4 3 4 2 2 2 3 2 2 3 3 3 3 8 5 16 20 21 20 17 40 28 34 40 49 17 11 9 6 3 3 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 73 72 d 1H J 77 \| 72 71 d 1H J 49 \| 69 69 s 1H \| 67 66 d 1H J 49 \| 40 38 m 3H \| 37 36 ddd 2H J 57 84 141 \| 24 23 s 2H \| 20 19 dddd 2H J 43 58 82 127 \| 19 18 dddd 2H J 43 58 84 129	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCNc1ccn2cc(C)nc2c1I	ir: 13 4 2 4 22 13 1 4 6 3 4 6 7 3 2 6 9 16 25 7 7 2 37 31 21 60 22 16 14 10 4 7 12 6 7 14 31 24 4 16 12 3 14 21 64 19 9 19 19 1 3 7 4 1 4 7 4 3 6 10 7 0 10 5 12 13 24 14 9 21 19 35 17 13 11 20 14 12 5 8 15 50 17 8 4 4 8 9 5 16 14 17 23 9 48 95 61 4 34 11 11 18 17 54 21 14 11 8 4 9 13 37 43 26 7 5 8 9 13 10 21 28 11 29 3 6 13 16 8 19 26 6 3 8 7 9 29 51 31 21 25 15 8 4 3 5 5 3 3 5 7 6 61 53 7 2 4 6 5 3 4 6 3 1 3 6 4 1 3 6 3 1 4 6 3 1 3 5 3 1 3 5 3 1 4 5 2 1 4 5 2 2 4 5 2 2 4 4 2 2 4 4 2 2 5 4 2 2 4 4 2 3 5 4 1 3 5 4 2 3 7 4 1 4 5 3 1 3 6 3 1 3 5 3 2 3 5 3 2 4 5 3 2 4 5 3 2 4 5 3 3 4 5 2 3 4 4 3 2 5 5 2 2 5 4 3 3 7 9 8 4 10 6 6 13 15 15 18 13 11 23 19 35 55 92 47 52 64 59 63 49 37 25 16 12 13 6 2 5 6 4 2 4 7 7 5 44 100 23 5 5 5 2 3 5 5 2 2 5 4 2 2 5 4 2 3 5 4 2 3 5 3 2 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 2 4 5 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 4 3 2 3 5 3 2 3 5 3 1 3 5 3 2; 1HNMR: 90 90 d 1H J 72 \| 78 78 d 1H J 7 \| 74 74 t 1H J 51 \| 70 69 d 1H J 70 \| 59 58 ddt 1H J 53 106 162 \| 53 53 dq 1H J 11 163 \| 53 52 m 1H \| 41 40 tt 2H J 14 52 \| 24 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC/C=C/CCCN(CC=O)C(=O)OCC1c2ccccc2-c2ccccc21	ir: 10 9 10 14 16 8 8 11 7 11 21 9 14 18 10 44 30 20 11 15 5 7 5 5 8 5 7 7 5 6 6 4 5 6 11 5 5 6 13 10 19 20 97 19 6 8 8 7 5 5 6 8 6 6 5 8 6 6 5 6 6 6 6 6 5 5 7 7 8 5 6 6 10 11 10 23 43 9 5 7 12 11 7 8 19 10 16 7 6 8 12 6 7 6 6 6 7 9 7 7 10 9 7 6 14 14 9 9 11 10 9 9 11 11 7 11 13 15 15 11 18 14 36 13 11 10 9 6 7 12 10 13 6 8 7 31 15 21 10 6 19 7 8 3 4 11 9 3 8 56 60 100 11 0 4 8 5 3 4 6 7 3 4 6 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 4 4 4 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 3 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 4 4 4 5 5 4 4 5 5 4 5 5 9 5 6 8 10 12 11 8 9 8 7 15 12 15 39 78 31 73 58 11 9 7 6 7 6 5 6 5 5 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 98 98 t 1H J 44 \| 78 77 m 2H \| 77 76 ddd 2H J 7 15 77 \| 76 75 td 2H J 12 77 \| 74 74 td 2H J 14 78 \| 55 54 m 2H \| 45 44 d 2H J 49 \| 43 42 m 1H \| 41 41 d 2H J 44 \| 33 32 t 2H J 64 \| 21 20 m 4H \| 17 16 ttd 2H J 9 64 84 \| 14 12 m 7H \| 9 9 t 3H J 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1c(Br)cc(Br)c2nccn12	ir: 0 3 5 3 3 4 7 4 1 6 4 2 1 3 5 4 3 4 5 2 3 5 7 6 7 5 4 2 2 4 5 2 2 5 4 1 2 6 5 3 3 5 8 16 100 44 29 3 4 5 6 2 3 6 4 1 3 5 3 3 4 5 3 1 3 4 2 2 4 5 2 2 6 11 24 21 5 5 3 2 3 4 2 2 3 4 11 10 4 4 2 5 13 20 6 8 18 9 2 3 5 4 2 3 5 19 9 6 6 9 5 14 8 9 1 3 6 4 3 4 6 5 3 4 5 5 4 7 5 3 2 4 9 5 3 5 4 4 13 14 27 21 2 5 8 13 17 11 10 10 9 4 4 14 20 5 3 7 5 6 4 1 2 5 3 0 2 5 3 0 3 5 3 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 1 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 1 2 4 3 1 2 4 3 1 4 6 4 4 3 4 4 3 5 8 5 2 4 7 6 7 13 11 11 10 49 28 38 40 77 13 7 7 9 6 3 2 4 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 4 3 1 2 4 2 1 2 4; 1HNMR: 78 77 d 1H J 46 \| 77 76 s 1H \| 75 74 d 1H J 46 \| 29 28 q 2H J 67 \| 12 11 t 3H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2cccnc2Cl)cc1	ir: 4 8 7 6 4 4 5 7 5 9 11 3 4 3 1 4 9 6 14 30 5 3 2 14 18 11 20 58 43 66 15 9 2 6 7 6 17 41 11 5 4 10 4 3 2 3 4 2 2 3 2 2 3 17 10 15 28 2 5 4 4 8 15 33 7 2 3 4 9 1 3 4 7 6 3 2 2 2 4 5 5 7 19 14 3 2 2 4 3 5 10 6 2 2 3 5 13 9 10 8 3 2 3 2 2 2 3 5 2 7 5 8 10 4 5 14 16 13 21 23 10 13 12 21 19 15 13 22 11 10 8 11 5 2 3 2 5 35 3 7 7 9 26 77 100 39 18 15 18 48 44 4 5 18 18 22 17 5 3 0 2 4 3 1 1 4 2 0 2 3 2 0 2 3 2 0 2 3 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 2 2 1 1 3 2 1 2 3 1 1 2 2 1 1 2 2 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 4 4 4 3 1 2 3 2 3 5 6 4 3 7 24 26 27 49 26 42 36 8 4 5 3 3 4 3 5 5 4 3 3 3 2 2 2 2 2 3 6 14 55 39 36 11 8 3 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1; 1HNMR: 84 84 dd 1H J 21 41 \| 79 78 dd 1H J 21 76 \| 76 75 m 2H \| 74 74 m 3H \| 53 53 d 1H J 74 \| 53 52 m 1H \| 16 15 d 3H J 57 \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCNC(=O)C1c2ccccc2CN1C(=O)c1cc(Cl)c(O)cc1O	ir: 2 6 5 3 1 6 8 3 2 2 1 2 1 2 2 5 6 4 9 8 1 9 10 3 6 6 5 16 5 7 4 20 12 10 20 9 9 29 14 10 8 15 37 16 13 4 7 4 6 4 2 3 1 3 2 1 2 3 2 1 2 0 2 2 2 1 3 15 22 2 6 14 10 6 3 2 1 1 1 3 1 1 15 22 8 8 36 12 14 13 55 9 5 6 4 11 4 2 1 2 3 6 1 3 20 9 9 4 5 4 3 2 13 2 1 1 4 2 1 2 4 4 5 1 3 1 1 1 2 3 3 16 11 4 1 2 4 20 3 3 11 6 10 5 11 40 38 21 21 13 57 4 3 6 1 0 1 1 5 0 1 2 16 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 1 0 0 1 0 1 1 0 1 1 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 1 0 0 0 0 1 0 1 1 1 3 1 1 0 1 1 0 1 0 0 1 0 1 1 1 1 1 1 2 1 1 1 1 2 3 4 2 6 8 4 8 30 36 8 31 100 49 22 11 29 86 6 3 1 1 1 1 1 2 1 3 6 6 18 9 33 22 7 15 8 4 3 1 2 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 s 1H \| 74 73 m 2H \| 73 73 m 1H \| 72 72 ddd 1H J 15 74 82 \| 71 71 t 1H J 49 \| 65 65 s 1H \| 59 59 s 1H \| 57 57 s 1H \| 48 48 dd 1H J 8 138 \| 47 47 m 1H \| 33 31 m 2H \| 16 15 qt 2H J 52 71 \| 9 8 t 3H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)CC1(C=O)C(C)CCC2C1C2(C)C	ir: 4 2 2 2 2 1 3 4 4 5 4 5 3 3 3 2 2 2 3 6 7 4 4 4 2 2 3 2 18 6 2 2 1 1 1 2 3 1 1 2 1 6 10 13 12 5 10 3 1 1 2 3 3 3 11 10 10 6 15 15 5 25 7 10 10 2 5 10 6 23 8 8 9 12 24 41 19 14 6 6 3 2 2 2 1 3 5 4 2 3 13 33 11 4 3 7 9 2 9 7 1 4 8 11 23 11 35 29 14 5 12 3 6 6 3 5 15 22 9 32 7 7 7 4 2 4 3 2 2 4 4 5 27 5 9 6 1 2 2 1 1 1 2 1 2 2 2 3 3 9 46 29 8 5 3 2 12 19 4 2 1 3 5 15 7 2 2 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 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 4 5 9 8 3 2 6 6 15 6 6 9 15 44 6 29 100 31 29 21 5 5 4 13 22 11 5 2 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 95 95 tt 1H J 9 18 \| 49 48 hept 1H J 15 \| 47 46 dq 1H J 11 18 \| 23 22 dq 1H J 12 148 \| 21 20 dq 1H J 12 146 \| 20 19 dh 1H J 15 64 \| 19 18 qtd 1H J 17 49 65 \| 17 17 m 3H \| 17 16 m 2H \| 15 14 m 2H \| 14 13 dddd 1H J 38 51 64 125 \| 10 10 t 6H J 16 \| 10 9 d 3H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Cn2ccc(N)n2)c(C(F)(F)F)c1	ir: 2 3 4 3 3 3 2 2 3 2 1 2 10 11 5 6 3 3 2 2 2 2 4 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 10 15 8 2 6 2 5 8 9 1 1 1 1 1 1 2 1 1 1 1 2 1 0 1 1 1 0 1 0 2 7 1 1 0 0 1 0 0 1 1 1 1 1 1 1 1 1 2 2 8 5 22 1 1 1 1 1 5 1 1 1 2 1 2 1 0 0 0 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 3 1 1 0 0 0 0 1 1 9 2 1 1 4 2 2 2 1 7 8 8 6 10 5 11 43 17 3 2 0 2 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 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 1 1 1 1 1 1 1 1 1 2 3 4 17 5 20 3 3 3 1 1 1 0 0 1 0 0 0 0 1 2 4 18 1 1 1 1 0 0 0 1 3 3 14 100 6 4 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 dt 1H J 9 29 \| 72 71 dt 1H J 9 68 \| 71 71 dq 1H J 9 19 \| 67 67 dd 1H J 22 66 \| 60 60 d 1H J 27 \| 55 55 t 2H J 9 \| 38 38 s 3H \| 35 35 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1cc(-c2cccc(C)c2C)nc(N)n1	ir: 6 9 8 3 4 2 6 5 2 6 8 7 4 4 4 6 3 2 6 5 5 7 9 14 4 3 4 5 6 2 2 2 1 3 8 14 8 21 57 53 9 7 9 9 5 6 12 5 6 3 5 3 1 2 2 2 2 1 1 1 1 1 2 5 4 14 22 9 14 11 9 5 3 2 1 1 2 1 1 1 1 2 1 1 1 1 1 2 2 1 2 4 3 3 1 1 1 1 0 1 1 1 2 6 8 2 3 2 1 1 1 2 2 2 1 5 8 12 12 3 4 2 1 3 6 6 2 2 4 3 2 2 5 1 1 2 4 7 14 22 21 26 14 35 29 59 68 100 59 17 7 4 6 7 15 42 21 4 2 7 13 1 4 4 2 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 0 1 1 0 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 0 1 2 2 3 4 7 30 33 11 18 2 3 3 1 1 1 1 1 2 2 2 3 7 8 21 14 49 14 11 13 13 50 43 23 2 3 6 31 29 12 6 2 1 1 2 2 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 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; 1HNMR: 74 74 dd 1H J 13 84 \| 73 73 dd 1H J 78 86 \| 71 71 m 1H \| 65 65 s 1H \| 59 59 q 1H J 47 \| 59 59 s 2H \| 29 29 d 3H J 48 \| 24 24 d 3H J 7 \| 23 23 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC(c1ccccc1)C(NCC1CCCO1)c1ccccc1	ir: 1 0 0 1 0 1 0 0 1 1 1 1 1 1 2 1 1 0 1 1 4 8 3 2 4 1 1 0 1 3 4 5 2 2 1 1 1 3 3 15 19 23 8 3 1 1 2 2 3 2 1 0 1 3 2 4 2 3 3 3 4 3 2 1 2 3 3 2 4 6 2 2 1 0 1 2 2 1 2 2 1 1 1 2 2 10 12 9 5 5 13 5 3 5 2 0 2 4 1 1 1 0 1 1 1 1 2 1 3 2 0 3 4 12 9 5 8 10 6 3 0 2 2 3 2 2 2 1 1 1 1 1 1 2 4 13 4 1 1 0 1 5 9 7 5 4 1 1 1 1 1 1 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 0 0 0 0 2 0 1 3 3 4 3 3 2 1 1 1 2 1 5 3 15 26 7 6 3 2 3 5 21 100 72 4 1 0 1 1 1 1 2 2 5 18 22 1 1 1 1 2 1 1 1 3 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 72 m 11H \| 47 47 m 1H \| 45 44 m 1H \| 39 38 m 2H \| 37 36 ddd 1H J 31 50 109 \| 35 34 dt 1H J 57 77 \| 32 32 d 1H J 51 \| 30 29 ddd 1H J 27 57 130 \| 28 28 ddd 1H J 27 58 130 \| 21 19 m 2H \| 19 18 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CO[C@H](CNS(C)(=O)=O)CN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1	ir: 4 3 9 5 10 3 2 6 2 3 3 3 5 4 4 19 12 17 10 6 6 8 4 6 5 5 2 2 3 2 2 3 5 4 7 13 17 9 7 5 5 8 9 7 9 5 7 4 3 2 3 6 2 2 2 4 6 6 6 12 5 4 4 4 5 11 5 6 4 10 18 17 9 8 2 5 2 4 3 5 2 1 2 6 1 2 5 3 25 2 3 3 2 4 2 3 3 3 4 6 2 3 7 9 17 9 7 12 12 5 3 3 9 8 4 2 1 2 2 2 1 2 2 2 2 5 1 1 2 2 5 1 2 2 6 2 2 4 3 4 3 4 5 6 9 40 26 38 24 15 6 5 5 11 15 5 2 3 8 13 10 12 3 2 1 1 2 1 1 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 1 0 1 1 0 0 0 1 0 0 0 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 1 1 1 0 1 1 1 1 0 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 3 4 4 5 9 8 11 4 2 1 2 2 1 1 2 1 1 2 1 3 2 2 4 10 29 18 14 89 8 2 2 8 6 4 6 14 100 8 4 0 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0; 1HNMR: 80 80 d 1H J 97 \| 80 80 d 1H J 21 \| 78 78 dd 1H J 22 97 \| 66 66 s 1H \| 59 59 s 2H \| 59 58 s 2H \| 52 51 t 1H J 84 \| 43 42 qd 1H J 24 50 \| 39 37 m 3H \| 37 36 m 2H \| 34 34 ddd 1H J 50 84 137 \| 32 31 ddd 1H J 50 83 138 \| 30 29 s 3H \| 13 13 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1NS(=O)(=O)c2c1ccc1ccccc21	ir: 8 3 3 6 6 4 4 3 3 5 11 7 20 6 5 2 6 11 2 2 1 2 3 10 8 11 4 2 3 3 2 1 1 2 2 7 55 14 3 2 2 2 7 18 4 4 2 1 3 13 2 8 4 3 19 24 2 4 6 0 2 3 2 1 14 4 2 1 3 3 2 1 2 10 6 2 2 2 2 2 2 2 26 2 6 100 7 1 3 3 0 1 8 2 0 1 3 2 5 1 3 2 0 2 3 30 3 1 6 4 3 2 6 14 5 2 3 2 1 9 31 4 1 3 4 22 3 2 3 1 1 2 4 2 5 7 3 2 2 3 3 1 1 5 5 2 2 4 8 29 10 6 8 5 8 9 4 4 2 3 2 1 1 2 2 0 2 3 2 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 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 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 2 3 7 8 17 31 20 2 1 3 3 2 1 2 2 1 2 2 4 2 1 3 3 1 1 3 4 1 55 15 6 4 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 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 1 2; 1HNMR: 87 86 m 1H \| 82 82 d 1H J 86 \| 82 81 d 1H J 87 \| 80 79 m 1H \| 76 75 td 1H J 14 74 \| 75 75 m 1H \| 66 66 s 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(=O)NCC(=O)c1cccnc1	ir: 5 3 3 9 4 5 7 6 4 3 4 2 1 3 2 1 1 1 1 1 1 1 1 2 2 2 3 3 4 6 4 4 10 13 20 17 100 49 11 5 6 11 4 2 1 3 2 0 1 3 2 0 1 3 1 1 4 11 2 2 1 5 4 3 1 2 3 4 2 3 4 4 2 3 2 2 2 2 3 3 3 5 2 1 2 2 3 15 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 2 2 3 3 3 3 38 12 26 31 3 4 3 1 2 6 7 7 3 2 2 4 34 7 4 1 2 3 13 32 10 6 10 14 4 7 5 3 12 5 3 16 30 6 3 3 2 7 12 5 6 3 2 3 2 10 3 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 2 2 3 3 2 2 1 1 2 3 16 13 2 4 21 10 3 1 1 2 2 1 1 1 1 1 1 1 3 3 2 2 4 2 2 2 2 6 19 24 22 5 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 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 92 91 t 1H J 18 \| 88 87 ddd 1H J 16 26 45 \| 83 83 m 1H \| 81 80 t 1H J 61 \| 74 74 dd 1H J 48 77 \| 48 47 d 2H J 60 \| 44 43 q 2H J 71 \| 13 12 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C#N)OCCCl	ir: 13 22 13 7 3 6 14 16 12 5 8 4 2 5 7 3 2 5 6 3 2 5 6 3 4 12 11 26 12 16 7 13 18 12 8 2 6 12 8 2 5 10 8 3 6 9 6 1 4 8 4 0 4 8 5 1 4 8 4 0 8 11 7 10 13 14 5 2 10 12 8 3 5 7 3 1 5 7 3 2 5 6 2 2 5 6 3 3 6 6 3 3 6 10 7 10 21 19 16 24 21 47 80 20 12 9 8 6 11 6 3 5 9 7 1 9 17 12 11 19 11 11 6 9 12 6 7 41 32 20 15 7 8 4 3 6 7 3 2 6 6 2 2 6 6 2 3 6 5 2 3 6 5 2 3 7 5 1 3 7 5 1 4 7 4 1 4 7 4 0 4 8 4 1 5 8 5 1 5 88 100 5 6 7 4 2 5 6 3 2 5 6 3 2 5 6 3 2 5 6 2 3 6 5 2 3 6 5 2 3 6 5 2 3 6 5 2 3 7 4 1 3 7 4 1 4 7 4 1 4 7 4 1 4 7 4 1 5 6 3 2 5 6 3 2 5 6 3 2 5 6 3 2 5 6 3 3 6 6 3 3 6 5 2 4 6 6 3 4 7 12 6 14 12 7 7 7 7 6 5 7 11 24 53 44 14 8 4 5 7 5 3 4 7 3 2 4 6 3 2 4 6 3 2 5 6 3 2 5 6 3 3 5 5 3 3 5 5 2 3 5 5 2 3 6 5 2 3 6 4 2 3 6 4 2 4 6 4 2 4 6 4 1 4 6 4 2 4 6 4 2 4 6 3 2 4 6 3 2 5 5 3 2 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 2 3 5 4 2 3 6 4 2 4 6 4 2 4 6 4 2 4 6; 1HNMR: 38 38 d 2H J 9 \| 37 37 d 2H J 7 \| 18 17 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Nc1nc(N)c(C(=O)NC#N)nc1Cl	ir: 10 5 3 6 6 5 2 4 8 6 11 6 7 4 13 20 36 8 30 12 10 4 12 3 14 17 5 14 7 5 1 5 5 1 2 5 6 1 2 5 4 1 3 5 5 6 14 21 6 11 8 5 3 0 3 4 3 0 3 4 3 2 3 5 8 4 3 5 2 1 3 5 2 1 5 4 2 1 5 8 5 3 4 4 2 2 5 6 2 2 4 3 1 2 3 3 1 1 4 3 1 7 6 3 2 2 4 4 10 3 5 3 1 3 5 4 1 5 8 9 2 3 10 4 3 27 4 3 3 5 4 4 4 5 4 41 49 6 4 2 1 10 29 13 16 6 3 3 4 15 11 6 4 23 55 10 13 38 15 2 3 4 3 1 2 4 3 1 2 4 2 0 2 4 2 1 2 4 2 1 2 4 2 1 2 3 8 8 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 4 2 1 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 2 1 3 3 1 1 3 3 2 2 3 3 2 2 4 3 1 2 4 3 2 4 4 3 2 2 4 3 1 3 5 6 2 3 4 3 1 2 4 2 1 3 4 4 1 3 3 2 2 3 4 4 100 35 9 5 15 16 48 10 11 10 6 8 6 56 14 2 3 5 3 1 2 3 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 4 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 95 95 s 1H \| 70 70 s 2H \| 61 61 d 1H J 82 \| 44 43 dp 1H J 60 82 \| 13 12 d 6H J 59	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
[O-][n+]1ccc(-c2cccc(F)c2C(F)(F)F)cc1	ir: 3 6 7 5 2 4 6 7 18 13 10 7 2 6 10 4 3 9 10 3 3 6 7 4 5 11 30 15 8 8 7 5 6 5 6 47 59 22 14 10 6 12 5 1 4 7 38 43 20 5 4 2 4 6 4 1 4 6 4 1 4 6 4 2 4 15 25 4 12 9 5 7 6 6 4 2 14 7 5 13 6 6 3 3 6 18 10 3 5 4 3 3 12 4 2 3 5 11 57 65 31 8 0 7 71 60 3 4 10 5 2 4 8 6 1 4 6 4 0 7 11 4 2 4 10 3 2 4 6 3 2 5 5 3 2 5 5 7 21 31 9 3 6 10 18 74 14 7 19 38 71 13 10 3 2 50 53 41 5 4 4 3 4 17 4 3 4 5 4 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 3 4 5 3 2 4 4 3 3 4 4 3 3 5 4 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 5 4 2 4 5 4 3 4 5 5 4 6 6 5 5 11 91 100 46 28 36 5 3 7 8 5 2 4 6 3 2 4 5 3 2 4 5 3 2 5 5 3 2 4 5 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 4 5; 1HNMR: 75 75 dd 1H J 13 69 \| 75 74 td 1H J 51 70 \| 72 72 ddd 1H J 13 70 102 \| 43 42 m 2H \| 36 36 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1C(=O)NN=C2COc3ccc(N[C@@]4(C)CCN(C(=O)OC(C)(C)C)C4)cc3N21	ir: 4 2 1 5 7 6 6 9 2 5 15 10 10 7 5 8 9 12 25 7 3 1 3 4 4 3 4 7 8 2 2 3 23 16 4 12 18 1 5 2 2 3 2 2 5 4 1 2 2 1 1 3 4 16 12 10 2 1 1 2 1 2 4 3 2 8 6 3 3 4 3 4 2 2 2 8 2 1 2 2 1 4 3 2 2 1 1 4 4 11 8 4 3 3 4 2 1 3 2 2 0 1 3 5 2 2 5 4 6 1 4 2 13 7 5 3 8 9 6 5 6 5 8 5 4 4 9 4 3 8 16 13 6 16 7 2 10 3 6 18 19 4 2 1 1 2 3 2 2 10 29 100 7 31 8 4 46 10 6 7 2 2 1 1 2 3 14 15 3 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 3 3 2 1 2 5 3 2 1 2 2 3 6 7 29 3 4 7 12 3 4 5 2 0 1 2 1 1 1 1 1 1 2 2 2 2 4 2 3 6 9 45 33 14 6 3 1 4 2 2 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 96 96 s 1H \| 68 67 d 1H J 81 \| 66 65 d 1H J 22 \| 64 64 dd 1H J 22 82 \| 51 51 s 1H \| 49 48 m 2H \| 47 47 q 1H J 62 \| 38 37 m 1H \| 36 36 m 2H \| 35 34 ddd 1H J 29 48 130 \| 21 20 ddd 1H J 29 47 131 \| 19 18 ddd 1H J 29 48 128 \| 15 14 s 8H \| 14 14 d 3H J 62 \| 13 13 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(Br)cc2)CC1	ir: 7 11 6 5 7 6 6 3 6 12 13 10 31 20 3 8 6 3 1 2 4 2 1 3 3 1 1 4 4 2 2 4 2 2 1 3 2 1 4 3 4 1 2 3 2 0 1 3 2 1 2 4 20 20 8 28 14 1 6 9 6 4 4 3 2 1 4 3 2 6 3 2 2 2 3 2 1 1 2 2 1 1 2 3 12 3 5 5 2 2 3 2 3 2 3 3 2 5 3 2 1 3 5 3 3 3 4 2 1 1 4 3 1 5 19 19 9 6 15 12 9 12 13 31 6 13 6 5 3 16 11 12 7 4 11 9 28 11 9 2 1 3 3 2 2 3 6 31 13 8 8 100 2 10 8 1 1 3 2 0 1 3 3 0 1 3 2 1 1 3 2 0 1 3 1 0 2 2 1 29 8 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 0 1 2 1 0 1 2 1 0 1 3 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 2 4 7 2 2 3 6 6 5 3 5 5 4 6 9 37 13 19 32 26 9 9 6 2 2 2 3 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 75 74 m 2H \| 74 73 m 2H \| 39 38 ddd 2H J 37 64 119 \| 34 34 ddd 2H J 37 64 119 \| 26 25 ddd 2H J 37 64 128 \| 24 23 ddd 2H J 37 64 128 \| 15 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCNCc1ccc(Oc2cnc(C(N)=O)cn2)c(F)c1	ir: 3 1 1 1 1 2 2 8 13 3 3 2 4 3 9 8 19 15 44 16 17 38 10 22 8 5 5 3 4 4 3 7 13 22 12 9 5 10 14 15 8 18 11 15 11 7 1 1 3 2 3 1 2 1 11 2 7 7 4 3 9 5 1 1 2 7 2 10 5 17 30 14 8 2 4 1 1 1 1 1 1 1 3 2 3 3 5 1 3 2 2 2 3 3 6 10 17 5 14 11 5 3 5 1 2 10 12 9 8 13 14 18 42 36 2 5 12 9 3 9 4 2 2 4 4 6 4 3 2 15 40 9 7 20 3 7 3 3 4 4 2 1 7 2 2 0 1 1 1 3 22 3 2 5 4 1 2 5 6 12 7 4 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 4 1 1 1 0 1 1 2 5 6 5 5 25 25 2 3 1 1 1 1 1 1 0 0 1 1 1 2 3 5 26 12 100 13 5 1 2 1 1 1 1 8 58 59 6 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 s 1H \| 80 80 s 1H \| 73 73 s 2H \| 71 70 m 1H \| 70 69 m 2H \| 42 41 m 1H \| 39 39 dt 2H J 8 56 \| 27 27 q 2H J 53 \| 16 15 tt 2H J 53 72 \| 14 12 m 6H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)Cc1c(C(=O)OC)ccc(OC)c1O	ir: 20 26 3 29 44 29 81 93 68 92 43 17 15 10 23 5 8 10 10 8 10 4 15 31 16 16 12 4 2 5 3 2 2 3 5 3 5 4 4 1 3 4 4 1 2 4 3 3 2 5 2 6 20 27 27 20 10 25 9 1 6 8 6 0 12 9 9 4 12 11 19 33 36 25 38 38 26 6 9 4 3 4 3 8 49 92 73 44 26 13 4 2 3 5 3 3 5 6 2 5 13 19 28 16 3 4 2 2 3 3 2 4 5 3 5 6 11 23 17 18 23 16 14 3 7 5 14 17 11 7 5 7 7 3 2 4 5 2 4 7 8 5 21 22 38 29 11 5 6 7 2 2 3 2 12 9 15 8 10 4 4 8 6 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 3 2 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 2 2 1 1 2 2 1 1 3 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 3 2 1 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 3 4 2 1 3 3 4 4 8 7 4 3 8 22 8 13 16 9 15 37 48 21 13 15 25 20 7 100 45 18 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 1 2 2 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 75 75 d 1H J 92 \| 71 71 s 1H \| 68 67 d 1H J 92 \| 49 49 hept 1H J 15 \| 47 47 dq 1H J 10 22 \| 39 39 s 2H \| 37 37 t 2H J 15 \| 37 36 s 3H \| 18 18 t 3H J 11	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)C(=O)c1ccc2nc(-c3ccccc3Cl)nc(N3CCN(C)CC3)c2c1	ir: 1 5 5 5 2 5 4 3 1 4 3 2 3 5 8 3 2 2 2 1 1 5 11 6 11 6 15 6 5 12 3 4 2 5 5 3 7 4 13 9 2 4 44 36 6 22 6 9 12 19 5 3 14 6 2 3 25 4 33 8 7 1 2 6 4 4 3 5 5 6 3 3 4 5 3 4 4 10 5 12 34 8 4 14 55 23 15 2 3 3 10 1 2 1 1 2 9 7 11 21 6 3 2 3 3 3 2 1 2 6 2 2 4 9 3 4 7 11 11 6 10 17 8 12 20 23 36 21 8 3 5 3 11 14 13 19 17 3 13 6 10 19 8 13 16 14 13 19 29 6 10 13 15 7 39 3 9 14 10 7 1 1 1 1 1 2 16 7 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 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 2 2 1 1 2 2 2 2 4 2 3 1 1 3 4 11 13 23 100 26 19 6 4 2 2 2 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 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 0 1 1 0 1 1; 1HNMR: 87 86 d 1H J 17 \| 80 79 m 2H \| 79 79 dd 1H J 15 92 \| 75 74 m 3H \| 36 36 m 4H \| 35 34 q 4H J 71 \| 31 30 m 4H \| 29 29 s 2H \| 12 12 t 6H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc2cc(S(N)(=O)=O)sc2s1	ir: 9 32 9 1 5 2 1 3 17 9 2 1 1 0 1 1 10 1 2 5 2 11 6 1 1 0 1 0 3 1 1 1 0 0 1 1 0 0 0 0 0 0 0 1 0 1 1 1 1 0 1 1 1 0 0 1 1 0 2 2 1 13 1 1 2 1 2 2 8 6 2 2 2 1 3 2 9 13 22 19 27 27 48 27 24 83 61 60 95 23 14 5 7 5 1 2 3 1 1 3 3 3 2 3 1 2 0 6 3 8 7 1 1 17 22 7 9 18 97 26 10 3 5 34 3 1 0 1 3 0 0 1 1 1 1 0 1 0 0 1 1 1 1 1 1 1 1 17 3 6 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 1 0 1 0 1 1 2 1 0 1 1 1 2 4 23 8 6 1 0 1 0 0 1 0 0 0 1 1 1 1 6 67 20 14 3 9 83 100 10 4 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 s 2H \| 80 80 d 1H J 22 \| 79 79 d 1H J 22 \| 39 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(CCc1ccc(Cl)c(Cl)c1)c1ccncc1	ir: 2 1 2 1 4 1 1 2 4 2 2 1 3 6 11 10 3 2 37 3 0 2 3 3 1 2 1 1 1 2 6 2 6 7 2 2 2 3 3 12 2 2 3 2 2 4 1 1 1 2 1 1 5 21 13 2 1 4 1 1 1 2 2 19 3 2 1 3 16 4 4 20 29 18 3 1 5 4 2 1 2 2 1 2 2 2 1 1 2 7 4 8 8 3 2 1 3 5 8 5 3 1 0 1 2 1 1 2 6 2 2 19 3 6 5 4 3 4 2 1 3 2 3 3 13 4 2 2 2 1 4 4 4 1 1 2 3 7 1 1 1 1 1 1 1 2 3 3 12 2 2 4 10 3 1 1 2 0 2 14 45 9 3 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 1 2 2 2 4 3 4 4 10 7 23 100 16 8 4 3 3 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1; 1HNMR: 86 85 m 2H \| 73 73 d 1H J 82 \| 72 71 m 3H \| 70 70 ddd 1H J 10 21 82 \| 29 27 m 2H \| 27 26 dtt 1H J 9 81 132 \| 21 19 dtd 1H J 65 81 144 \| 18 17 dtd 1H J 64 81 143 \| 12 12 d 3H J 69	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cc1cc(O)ccc1Cl	ir: 5 4 1 5 2 4 7 4 4 5 4 2 2 2 3 3 2 2 1 2 4 2 2 2 1 2 1 2 2 1 1 1 1 2 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 2 3 5 9 32 13 6 1 1 2 1 2 1 1 4 3 2 9 20 6 2 1 1 1 3 3 4 5 3 9 64 32 4 3 5 7 13 46 10 3 3 4 4 6 2 5 5 2 6 5 5 4 2 1 1 1 1 1 1 2 2 2 4 6 3 2 3 3 2 2 8 3 3 4 1 3 2 1 2 1 4 7 4 3 2 1 1 1 1 1 2 18 15 10 11 62 6 3 2 7 3 3 1 2 10 2 0 1 1 1 0 5 10 2 0 1 1 1 0 0 0 0 0 1 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 2 3 2 6 3 1 2 3 2 2 5 6 3 2 3 2 3 3 8 8 6 5 42 25 7 3 4 4 9 10 100 67 19 6 3 2 3 1 1 1 2 1 0 1 1 1 1 1 1 1 2 2 1 2 3 1 1 2 1 2 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 d 1H J 79 \| 68 67 dt 1H J 8 18 \| 67 67 dd 1H J 21 78 \| 59 59 s 1H \| 42 41 q 2H J 66 \| 37 36 d 2H J 7 \| 13 12 t 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NN1CCOCC1)c1ccc(OCc2c(-c3ccccn3)noc2CO)nc1	ir: 12 12 5 22 17 13 16 9 8 9 13 11 11 10 9 8 9 7 6 21 16 17 9 8 7 9 8 15 15 9 8 8 16 8 7 7 8 8 14 23 33 17 100 29 17 15 8 7 10 9 7 6 15 31 29 13 9 12 8 5 7 7 7 13 8 11 8 7 11 24 22 21 22 26 10 9 7 9 11 11 8 7 9 10 11 7 6 11 10 26 26 52 20 25 32 75 28 12 13 9 7 7 8 11 7 6 6 7 6 7 14 10 7 9 12 7 7 6 6 7 8 8 11 10 15 9 21 22 10 18 33 12 7 7 6 13 12 36 15 51 20 10 5 13 26 11 9 9 21 26 13 16 15 8 58 30 9 7 27 12 9 4 56 0 5 9 6 3 5 7 5 4 6 7 5 5 5 6 5 5 5 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 5 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 6 5 5 5 6 5 5 6 5 5 5 6 5 5 6 6 6 5 6 6 5 5 5 6 5 5 5 6 5 5 6 6 5 5 5 6 5 5 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 8 6 21 12 15 53 30 19 9 9 15 26 49 14 11 6 6 6 6 6 6 6 6 7 7 9 7 8 9 18 19 13 6 6 7 6 6 6 6 6 6 6 6 5 5 5 5 5 5 5 5 5 5 5 5 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; 1HNMR: 96 96 s 1H \| 87 86 dd 1H J 16 40 \| 85 85 d 1H J 19 \| 80 80 dd 1H J 19 81 \| 80 79 dd 1H J 14 84 \| 78 77 ddd 1H J 16 71 84 \| 73 73 ddd 1H J 13 40 71 \| 70 70 d 1H J 82 \| 55 55 s 2H \| 48 47 d 2H J 64 \| 42 42 t 1H J 65 \| 37 37 m 4H \| 31 30 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cccc2cnn(CCO)c12	ir: 17 11 12 17 23 25 1 7 13 12 26 22 33 64 36 62 8 28 11 25 18 19 21 25 17 4 8 11 14 6 3 8 7 7 5 20 7 11 17 12 6 2 3 9 4 0 8 27 24 16 2 4 4 1 5 5 4 3 4 4 2 0 3 8 3 4 8 14 4 3 6 7 3 2 4 6 3 8 15 11 3 2 4 6 2 4 5 6 9 6 30 24 15 8 25 49 56 24 17 11 9 5 6 5 3 11 6 6 8 11 7 3 1 5 12 3 1 8 10 12 6 10 9 12 3 7 7 8 2 3 3 2 6 7 10 4 12 22 9 2 4 9 10 5 33 34 11 11 4 5 3 2 3 5 3 1 2 4 4 3 7 6 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 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 4 2 0 2 4 2 1 3 4 2 0 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 3 1 1 3 3 1 2 3 3 2 3 6 5 1 3 4 4 2 3 12 9 13 13 49 17 15 23 37 51 100 72 13 4 2 4 4 3 1 3 3 2 2 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 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; 1HNMR: 81 80 ddd 1H J 11 18 79 \| 80 80 d 1H J 19 \| 80 79 dd 1H J 11 71 \| 74 74 m 1H \| 42 41 t 2H J 34 \| 40 40 m 2H \| 40 39 dd 1H J 50 67 \| 39 39 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(CO)ncn1C	ir: 1 7 7 3 0 4 7 5 5 6 7 21 5 18 6 4 2 3 6 2 3 6 10 3 3 4 5 6 2 8 5 2 12 24 18 15 9 9 9 14 6 19 20 8 13 9 11 12 7 5 6 1 5 6 6 1 13 8 31 16 9 9 15 23 41 16 14 10 8 8 25 8 8 11 9 3 5 9 8 15 30 16 14 12 36 42 76 6 41 32 20 16 13 8 5 31 9 24 52 20 3 4 2 3 5 5 6 8 4 6 5 23 16 9 18 26 25 26 37 12 53 23 12 15 25 12 14 10 4 11 6 12 4 1 2 4 4 3 11 6 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 3 1 1 3 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 10 17 10 18 7 19 8 10 12 16 11 17 12 24 98 71 14 28 47 85 100 19 5 10 12 6 35 7 7 4 1 3 5 2 1 3 4 2 1 4 3 1 2 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3; 1HNMR: 75 75 s 1H \| 47 46 d 2H J 51 \| 36 36 s 3H \| 34 33 t 1H J 50 \| 23 22 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)cc2)CC1	ir: 3 2 1 2 2 4 3 1 2 3 11 5 1 1 2 5 2 2 2 7 3 6 56 6 0 2 3 0 1 2 1 1 0 2 4 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 2 1 1 8 2 1 1 1 3 4 2 1 1 1 1 3 1 1 2 1 1 1 1 5 7 2 11 13 5 2 1 1 1 1 1 1 2 1 5 1 1 1 2 5 3 3 3 1 1 1 0 1 1 1 0 1 1 1 1 3 2 1 2 6 12 3 3 9 2 2 5 2 1 3 1 3 2 5 6 3 2 1 1 1 1 2 1 1 1 0 5 11 4 1 1 1 0 1 9 35 8 10 2 1 1 0 0 1 1 0 0 3 2 1 0 1 0 0 0 1 1 1 1 1 0 1 1 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 2 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 3 11 6 3 16 4 1 1 1 1 0 1 4 97 100 5 0 2 1 0 0 1 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 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 79 78 m 2H \| 69 68 m 2H \| 36 35 m 4H \| 33 33 m 4H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CON(C)C(=O)c1cc(N)n[nH]1	ir: 5 4 5 4 6 4 3 4 3 1 0 2 5 12 14 15 12 4 2 3 2 2 3 2 2 1 1 2 3 2 1 2 3 1 1 2 2 1 2 2 2 1 6 29 37 28 4 3 2 1 2 3 2 1 5 4 2 1 1 2 2 1 1 3 3 1 2 2 1 1 2 2 2 6 7 5 3 1 12 4 1 1 1 1 1 1 1 1 1 0 2 2 0 1 5 7 1 2 12 18 7 4 2 2 0 1 1 1 1 1 2 1 0 1 2 1 1 3 4 2 2 1 4 5 67 43 8 3 2 2 3 11 10 2 2 1 0 1 2 2 3 3 2 1 1 2 2 0 1 3 24 16 2 8 23 46 18 5 4 2 1 2 4 7 2 2 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 1 2 4 2 2 3 2 2 10 6 3 2 1 2 1 1 1 1 1 1 1 1 1 1 16 8 2 1 1 1 2 6 16 27 7 7 62 100 16 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 99 99 s 1H \| 62 62 s 1H \| 41 41 s 2H \| 36 36 s 3H \| 33 33 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CC(CO)CN1c1ccc(OCc2ccc(F)c(F)c2)cc1	ir: 3 3 4 2 2 3 4 2 2 4 5 4 4 4 5 2 2 3 3 5 2 8 8 7 3 3 4 1 2 3 2 1 1 3 3 1 2 6 3 1 1 3 2 1 2 3 3 2 2 4 3 6 15 18 31 13 9 6 4 5 4 3 3 0 5 7 13 8 3 12 2 1 3 3 2 1 3 3 2 2 3 9 3 3 5 4 3 4 9 25 30 17 8 3 3 3 4 8 6 4 3 3 2 2 3 4 6 3 3 3 3 4 3 2 1 2 3 3 2 3 3 4 3 5 5 8 3 6 5 5 2 2 3 2 1 2 2 2 2 3 3 18 2 2 2 2 5 5 56 100 35 10 11 7 3 3 3 1 1 2 2 2 2 2 2 1 1 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 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 2 2 3 2 2 2 3 2 3 3 3 3 2 3 5 2 5 17 10 21 59 23 12 5 2 3 4 13 58 5 4 2 2 3 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2; 1HNMR: 74 73 m 2H \| 73 72 m 2H \| 71 70 m 1H \| 69 69 m 2H \| 51 51 t 2H J 9 \| 42 41 dd 1H J 42 117 \| 40 39 dd 1H J 42 117 \| 38 37 ddd 1H J 48 60 110 \| 36 35 m 2H \| 27 26 dd 1H J 56 148 \| 25 24 dtd 1H J 11 45 89 \| 24 23 dd 1H J 55 146	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC(Cc1ccc(OCCNC(=O)c2ccc(OC)nc2)cc1)C(=O)O	ir: 0 0 0 1 1 0 0 1 1 1 0 1 1 2 1 1 1 1 1 0 1 1 3 23 6 0 0 0 1 0 0 0 0 0 0 0 1 1 1 2 5 2 1 1 1 0 0 0 1 0 1 0 0 1 2 1 1 2 1 1 0 0 1 1 0 0 1 1 1 2 1 1 0 0 1 1 0 3 7 8 2 1 0 1 0 0 0 1 0 0 1 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 0 0 0 1 1 1 1 2 1 4 2 1 1 0 1 0 0 0 0 0 0 8 2 1 0 1 2 11 10 5 3 2 12 3 1 1 1 1 2 0 0 0 0 0 0 7 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 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 1 1 0 0 0 1 0 1 3 1 1 4 9 2 1 1 1 0 0 1 3 17 100 6 2 1 1 0 0 0 0 0 0 0 1 1 3 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; 1HNMR: 85 85 d 1H J 20 \| 80 80 dd 1H J 19 81 \| 77 77 t 1H J 50 \| 71 71 dt 2H J 9 89 \| 71 70 d 1H J 81 \| 68 68 m 2H \| 43 42 t 2H J 43 \| 40 39 s 2H \| 37 36 dt 2H J 43 51 \| 30 29 ddt 1H J 10 79 136 \| 28 27 ddt 1H J 9 80 137 \| 27 26 m 1H \| 18 17 dtd 1H J 75 89 134 \| 16 12 m 6H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)N1CC(CN(C)C)N(C)c2ccccc2C1=O	ir: 5 8 2 3 6 5 1 7 9 5 6 4 7 3 3 7 5 3 2 4 5 6 3 4 4 2 1 4 5 18 4 5 12 34 12 8 6 0 3 8 14 39 49 42 8 8 7 7 6 1 3 5 4 3 6 7 4 0 5 8 5 2 3 6 3 3 7 6 14 4 6 7 3 7 7 10 7 7 14 10 5 4 8 13 5 3 15 28 11 12 33 8 9 22 19 10 8 6 8 4 3 6 7 5 1 4 6 5 2 3 6 5 2 6 10 10 7 5 6 8 5 9 19 12 4 20 27 10 7 12 8 4 3 5 8 6 7 10 11 23 6 15 13 1 3 5 6 13 20 6 4 5 100 20 4 5 18 5 4 2 29 16 3 2 2 4 3 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 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 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 3 3 2 2 3 3 2 2 4 3 1 2 4 3 2 3 4 3 2 2 5 4 2 4 6 5 4 5 9 10 9 34 78 73 5 6 8 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 4 2 1 2 4 2 1; 1HNMR: 78 77 dd 1H J 16 85 \| 74 74 td 1H J 15 78 \| 72 72 td 1H J 15 82 \| 71 70 dd 1H J 14 77 \| 42 40 hept 1H J 66 \| 40 39 dd 1H J 61 105 \| 38 37 dtdd 1H J 15 47 62 77 \| 37 36 dd 1H J 61 105 \| 30 30 d 3H J 16 \| 28 28 dd 1H J 63 103 \| 26 26 dd 1H J 62 104 \| 22 22 s 5H \| 13 13 dd 6H J 67 105	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(Nc2ccc3sc(-c4ccnc(N)n4)c(C)c3c2)c1	ir: 2 2 1 2 0 1 1 1 0 1 1 1 2 2 2 1 1 0 1 1 2 1 1 1 1 2 1 0 1 1 1 1 1 1 1 2 3 3 6 1 2 1 1 1 3 4 2 2 2 1 1 1 1 1 2 1 1 1 0 0 1 1 1 0 0 2 3 2 1 1 1 1 2 3 1 0 0 1 0 0 1 1 1 1 0 0 0 0 0 1 0 0 0 1 0 1 0 0 0 1 1 0 1 1 2 0 1 1 0 1 2 0 0 0 0 0 0 1 0 1 0 0 0 1 0 0 0 0 0 1 1 0 0 1 0 3 1 1 2 1 1 1 1 3 4 16 2 4 2 6 3 1 1 1 1 1 5 1 1 1 1 1 0 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 3 4 5 1 1 0 1 1 0 0 1 1 1 1 1 0 0 1 1 5 0 1 1 2 1 6 4 3 1 1 2 2 100 2 0 0 1 1 0 0 1 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 0; 1HNMR: 83 83 d 1H J 38 \| 79 79 d 1H J 77 \| 76 75 d 1H J 22 \| 72 72 d 1H J 40 \| 72 71 t 1H J 78 \| 71 70 dd 1H J 22 77 \| 67 67 ddd 1H J 11 21 77 \| 67 66 t 1H J 22 \| 65 65 ddd 1H J 12 22 79 \| 64 64 s 2H \| 62 61 s 1H \| 38 38 s 3H \| 26 25 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CO[C@@H]1[C@@H](C)C[C@@H](c2ccncc2N=C=S)C[C@H]1NC(=O)OC(C)(C)C	ir: 4 9 6 8 0 4 4 4 2 12 9 10 2 8 4 9 8 9 9 14 23 8 5 4 5 15 17 32 100 39 10 15 13 13 8 3 3 17 5 3 3 5 6 4 6 7 4 5 5 13 4 2 5 5 4 2 3 3 6 4 3 4 6 4 3 3 3 4 11 8 10 11 10 12 5 7 6 3 3 2 3 6 3 1 3 3 2 2 3 3 2 3 4 5 3 2 6 6 8 9 5 8 4 9 8 12 10 7 7 6 8 12 12 4 1 4 9 5 3 7 9 15 6 4 6 15 7 8 4 7 9 11 13 5 4 4 3 2 3 3 3 4 5 7 48 35 24 18 22 17 7 7 13 2 2 4 3 3 3 26 5 3 2 3 2 1 2 3 4 2 7 11 3 3 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 2 2 2 3 5 3 3 3 4 3 4 4 3 3 6 9 5 17 16 10 7 10 8 5 4 2 3 3 3 2 3 3 3 3 4 3 2 2 2 2 2 3 4 4 10 25 36 9 11 5 4 4 2 2 3 3 2 2 3 2 1 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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; 1HNMR: 84 83 dd 1H J 14 43 \| 83 83 d 1H J 14 \| 70 70 dd 1H J 7 44 \| 60 59 d 1H J 83 \| 40 39 tq 1H J 16 72 \| 38 38 m 1H \| 35 34 m 1H \| 33 33 d 3H J 14 \| 25 24 ddd 1H J 42 51 139 \| 21 20 dt 1H J 49 132 \| 20 18 m 2H \| 15 14 dt 1H J 77 132 \| 14 14 s 7H \| 9 8 d 3H J 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C)(C)Sc1nnc(N)n1-c1ccc(C2CC2)c2ccccc12	ir: 9 7 5 8 10 7 6 5 12 7 7 6 5 8 4 6 7 7 4 4 4 3 3 6 5 5 4 5 4 3 3 4 3 3 3 3 3 3 3 6 3 5 4 15 19 5 3 3 3 3 4 3 4 4 6 7 4 3 4 3 3 4 3 3 3 2 3 3 2 2 3 3 3 4 3 3 3 6 4 3 3 5 8 6 4 3 3 4 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 5 5 4 3 4 6 7 6 5 7 9 4 4 4 3 3 4 5 4 3 3 3 4 4 4 3 3 3 5 3 3 3 4 5 4 4 3 6 9 14 17 3 4 8 8 22 13 6 4 17 37 12 8 4 3 3 3 3 3 3 3 3 2 3 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 3 4 3 2 3 3 3 3 3 5 4 4 9 4 9 13 18 14 8 11 5 6 3 3 3 3 3 2 3 3 2 2 3 3 2 10 10 3 2 2 3 3 2 2 4 5 1 11 100 0 4 4 2 2 3 3 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 3 2 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 82 82 m 1H \| 80 80 m 1H \| 75 75 td 1H J 13 79 \| 74 73 m 2H \| 73 73 d 1H J 82 \| 64 63 s 2H \| 42 42 q 2H J 61 \| 31 30 m 1H \| 18 18 s 5H \| 14 13 m 2H \| 12 12 t 3H J 60 \| 11 11 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCS(=O)(=O)Nc1c(C)ccc2c1CCCC2c1c[nH]cn1	ir: 3 7 3 2 2 2 27 26 8 3 2 1 5 3 7 9 4 3 1 2 1 1 4 1 1 2 1 1 2 2 12 30 25 4 7 23 23 9 7 16 15 15 2 3 2 1 1 4 1 2 7 13 33 5 33 25 2 3 5 1 8 21 3 0 2 7 15 54 15 24 38 10 2 2 9 1 2 3 1 3 2 3 1 1 5 9 8 100 8 9 7 11 4 3 6 30 23 7 9 8 11 15 40 19 17 29 19 3 1 2 5 12 6 7 13 10 52 35 14 15 15 24 8 5 3 6 7 2 1 2 2 14 5 2 18 9 2 1 2 1 1 1 2 10 8 3 1 1 1 1 1 0 1 1 3 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 1 1 1 3 3 3 2 1 3 4 13 5 3 6 5 4 9 30 41 32 14 28 21 10 7 3 3 2 2 1 3 1 6 14 4 0 1 0 0 1 1 1 0 1 1 1 7 40 20 10 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; 1HNMR: 78 77 dd 1H J 17 59 \| 75 74 s 1H \| 72 71 m 1H \| 70 70 dq 1H J 9 86 \| 69 68 dd 1H J 7 86 \| 53 53 dd 1H J 50 60 \| 47 46 m 1H \| 34 33 q 2H J 87 \| 31 29 m 2H \| 23 23 d 3H J 11 \| 23 22 m 1H \| 21 20 m 2H \| 20 18 m 1H \| 14 13 t 3H J 87	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCCCC(N)=O	ir: 6 6 13 7 11 4 9 6 17 24 19 14 9 28 29 12 40 35 22 27 12 8 9 13 9 23 41 39 52 23 38 42 31 9 13 9 6 7 12 12 15 8 9 4 11 9 7 11 10 8 8 5 5 2 6 0 9 9 5 3 3 4 8 32 11 9 11 13 8 9 4 3 5 4 5 7 17 6 11 6 7 5 2 4 4 11 27 19 16 7 8 13 14 11 3 5 6 8 4 4 10 6 3 4 4 3 6 4 3 7 6 5 4 6 10 9 7 10 7 9 6 5 11 9 10 5 3 3 3 3 3 4 6 2 0 2 3 3 5 5 5 3 12 19 100 41 4 8 4 4 1 3 3 3 8 20 11 34 59 9 13 5 5 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 2 2 2 1 1 1 1 1 1 2 2 1 1 2 2 2 2 4 7 4 4 3 5 4 4 8 8 3 14 8 6 2 2 2 1 1 1 2 1 1 1 2 1 1 2 2 4 4 8 18 6 5 2 2 1 2 2 3 4 6 7 100 55 11 5 3 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 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 2 1 1 1 2; 1HNMR: 62 62 s 2H \| 26 25 t 2H J 59 \| 23 22 s 6H \| 23 22 d 2H J 80 \| 17 15 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(O)ccc1NC(=O)OC(C)(C)C	ir: 15 16 22 15 6 4 4 5 12 30 37 10 9 4 5 2 2 2 3 3 2 2 2 1 1 2 2 2 1 3 3 1 6 7 2 5 6 7 10 11 12 6 14 11 3 4 2 1 4 3 5 2 11 15 27 38 19 7 3 2 1 3 4 10 3 2 3 2 11 3 2 1 1 2 1 3 3 4 1 4 19 18 19 23 8 3 5 3 1 2 3 12 9 6 14 4 4 3 5 10 1 1 2 1 1 2 11 4 3 6 4 2 3 5 10 3 3 3 5 3 4 4 3 6 1 1 2 8 3 17 7 5 6 46 3 4 1 1 1 1 1 2 2 1 1 3 9 0 5 70 90 29 9 23 18 15 61 4 4 3 3 1 1 3 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 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 1 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 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 2 3 3 2 2 4 4 4 2 1 2 1 1 2 3 9 16 5 6 55 18 3 3 0 3 6 14 100 15 7 3 3 1 1 2 2 2 1 2 5 2 2 12 8 31 22 12 2 3 2 2 2 2 2 1 2 2 2 1 1 2 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 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 88 88 s 1H \| 80 80 d 1H J 87 \| 76 76 s 1H \| 74 74 d 1H J 30 \| 69 68 dd 1H J 30 87 \| 38 38 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.
O=C(c1cc(Cl)c(O)c(Cl)c1)N1CCS(=O)(=O)c2ccccc21	ir: 4 4 4 3 3 1 1 9 4 6 3 3 1 3 2 2 1 2 2 1 1 2 2 2 2 2 1 2 2 2 1 1 1 2 2 1 3 4 2 6 6 3 6 9 6 1 1 1 1 2 2 2 2 8 3 1 1 1 1 1 2 1 1 2 6 10 4 4 3 1 2 2 1 1 6 3 3 2 2 2 4 4 6 27 20 11 30 11 5 11 3 1 1 2 2 2 3 9 2 4 2 1 1 3 5 8 4 2 1 1 1 1 1 1 1 2 1 2 3 2 1 1 1 2 1 4 4 3 8 2 2 1 2 2 4 8 7 9 2 1 1 5 5 1 1 3 3 2 2 5 14 1 1 2 3 1 1 1 2 2 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 2 3 3 2 2 1 2 2 2 2 2 2 2 2 3 2 4 2 1 1 1 1 2 1 6 15 14 13 9 7 4 2 3 6 11 45 100 7 5 4 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 1 4 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 s 2H \| 79 78 dd 1H J 14 86 \| 76 75 td 1H J 14 76 \| 75 75 dd 1H J 15 75 \| 74 74 ddd 1H J 15 76 90 \| 55 55 s 1H \| 45 44 m 2H \| 35 34 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CON(C)C(=O)c1cccc(OCc2ccccc2)c1	ir: 5 2 0 3 5 6 4 4 4 4 4 4 4 2 1 4 4 3 1 3 6 3 3 9 4 3 3 3 3 6 12 14 6 6 7 5 11 21 5 53 43 3 3 6 6 2 6 19 11 9 2 3 2 0 2 5 3 0 4 10 4 1 3 7 4 11 16 14 8 11 16 12 3 4 4 4 2 2 10 4 2 2 3 3 1 1 4 6 27 14 3 3 3 3 4 5 1 3 5 3 1 4 4 3 1 2 3 4 2 2 3 2 0 2 3 2 1 4 5 4 2 3 4 2 2 19 15 12 18 16 6 2 1 4 14 50 2 4 4 3 12 32 7 8 4 6 7 25 18 6 3 3 7 6 3 15 2 3 2 1 2 5 4 1 2 4 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 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 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 4 3 3 3 3 3 3 4 5 10 11 27 100 35 11 8 5 4 2 4 4 2 2 3 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 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 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 76 75 ddd 1H J 10 21 82 \| 74 73 m 6H \| 73 73 m 1H \| 73 72 t 1H J 20 \| 70 70 ddd 1H J 10 17 80 \| 51 50 d 2H J 9 \| 36 35 s 3H \| 31 31 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1CC(C)=C(C)C1	ir: 53 26 13 9 3 3 4 9 68 26 9 6 2 14 18 13 7 6 8 7 4 3 2 3 4 9 17 14 3 2 2 1 1 2 2 1 1 2 2 1 1 2 3 2 1 4 2 1 1 2 1 1 2 3 2 0 5 4 4 4 12 6 2 0 3 15 13 8 34 12 3 1 7 13 23 26 14 6 1 2 3 3 3 13 31 16 5 4 1 2 3 2 8 12 10 17 34 31 23 3 1 3 3 2 3 14 23 10 8 5 7 19 55 58 9 20 24 18 12 14 12 8 10 6 8 9 3 14 17 8 3 17 14 10 5 3 3 3 3 3 2 3 6 22 95 25 12 5 5 3 1 3 4 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 0 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 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 10 6 4 7 4 10 11 19 9 8 13 20 35 20 15 100 32 7 1 2 4 3 2 1 2 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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: 42 41 q 2H J 63 \| 29 28 p 1H J 61 \| 25 24 ddt 2H J 10 59 145 \| 23 22 ddt 2H J 11 59 146 \| 17 17 d 6H J 10 \| 13 12 t 3H J 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)c(F)c2c1=O	ir: 4 5 6 5 3 4 5 5 4 6 8 7 8 12 7 5 6 10 8 11 39 60 14 7 5 5 6 5 5 5 5 4 5 4 4 4 6 13 8 9 13 6 5 5 6 4 5 11 13 25 8 12 18 34 9 4 8 8 5 3 5 7 4 3 21 13 21 11 27 6 4 5 7 5 5 7 36 50 11 13 4 5 3 6 5 6 9 4 8 8 3 4 5 5 4 5 6 7 13 9 6 6 16 6 10 5 4 6 6 20 32 8 4 7 8 9 11 6 5 5 6 4 4 10 7 7 2 5 8 19 10 5 5 4 3 5 5 4 8 5 4 3 3 5 11 5 5 8 5 6 33 9 5 2 9 6 5 7 4 6 8 7 20 19 6 5 4 4 4 3 4 4 4 3 4 5 5 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 5 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 5 4 3 4 5 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 5 4 3 4 5 5 3 3 5 4 3 4 9 15 3 5 7 5 7 9 12 9 5 8 9 3 0 100 19 22 7 4 3 6 6 4 4 5 21 6 4 4 4 4 4 4 4 4 4 4 3 4 4 4 4 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4; 1HNMR: 87 87 d 1H J 18 \| 72 71 d 1H J 44 \| 39 39 pd 1H J 17 62 \| 34 33 m 4H \| 29 29 m 4H \| 19 18 p 1H J 33 \| 14 14 m 2H \| 12 11 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CCCCCl)c1ccc2c(c1)OCCO2	ir: 7 5 2 4 7 5 8 11 14 7 4 10 21 7 8 7 6 7 2 6 11 13 13 8 6 6 7 11 6 8 10 18 8 16 7 5 24 21 40 67 43 14 19 22 61 38 58 36 11 2 22 16 18 22 34 34 35 5 7 10 6 2 6 14 25 6 25 55 56 27 19 13 4 1 9 21 9 7 5 5 2 2 4 4 2 2 5 7 5 12 15 11 6 6 12 17 40 6 7 5 2 4 8 19 6 6 10 13 23 23 48 54 32 13 24 5 6 16 21 12 14 28 34 16 35 15 21 42 34 38 11 12 8 11 8 40 16 7 6 11 21 31 52 51 65 70 7 6 8 6 12 55 8 10 5 5 2 6 4 1 2 5 4 1 2 5 3 1 2 5 2 0 3 5 2 0 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 4 3 2 2 3 4 2 2 4 3 2 3 5 4 3 2 5 4 3 3 5 8 11 11 17 16 7 8 9 9 9 12 52 38 43 74 100 49 35 25 12 9 5 5 7 4 2 3 4 2 2 4 4 2 2 4 4 2 1 4 4 2 2 3 3 2 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 2 1; 1HNMR: 76 76 dd 1H J 20 88 \| 74 74 d 1H J 20 \| 70 70 d 1H J 88 \| 43 42 m 4H \| 36 35 t 2H J 33 \| 31 30 t 2H J 82 \| 19 18 ttd 2H J 8 33 76 \| 18 17 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(Oc1ccc(CCC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)cc1)C(=O)O	ir: 1 1 3 2 2 2 7 3 2 3 6 6 7 10 6 15 29 14 3 12 63 79 82 14 6 9 2 4 5 3 4 3 2 3 6 5 2 2 2 5 12 4 5 4 4 5 3 4 2 2 3 9 6 25 29 10 20 7 6 5 20 3 2 2 2 2 6 2 4 19 3 0 3 4 4 7 6 17 15 41 14 9 12 5 10 7 14 9 9 4 1 1 3 2 0 7 7 5 15 50 10 1 3 2 5 3 3 2 4 6 2 7 63 14 10 3 6 6 2 7 4 2 3 3 4 5 16 3 2 2 6 4 4 2 2 7 3 4 3 8 2 5 15 47 12 0 0 8 16 25 16 5 10 1 2 2 2 0 1 2 1 0 9 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 4 3 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 2 2 1 1 5 3 3 2 4 2 0 5 4 2 17 16 15 28 73 17 8 3 2 4 5 3 1 76 100 30 13 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 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 94 94 s 1H \| 78 77 m 2H \| 77 76 dq 2H J 14 104 \| 76 76 m 2H \| 71 70 dt 2H J 9 84 \| 69 68 m 2H \| 45 45 tq 1H J 15 53 \| 33 33 t 2H J 78 \| 30 29 tt 2H J 9 78 \| 21 20 dqd 1H J 54 77 131 \| 18 17 dqd 1H J 54 77 131 \| 11 10 td 3H J 15 77	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C(N)c1ccc(Br)cc1	ir: 2 2 1 1 1 1 1 1 1 1 2 3 16 27 2 2 1 2 1 2 3 3 2 2 1 1 3 2 2 1 6 8 2 4 9 1 1 2 1 1 3 12 1 1 1 1 6 18 31 12 3 6 2 12 79 53 24 16 6 6 2 2 11 7 25 100 12 3 15 12 5 61 57 4 14 14 2 2 8 30 5 3 9 7 1 1 3 4 0 0 3 5 11 52 0 1 3 2 1 3 1 2 1 2 2 2 4 2 2 5 5 4 4 3 5 29 6 10 31 12 7 14 10 14 4 7 11 7 19 22 34 40 54 36 14 20 5 4 2 3 2 2 1 2 3 5 22 11 3 1 1 2 6 3 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 1 2 2 2 2 3 9 4 2 12 9 37 38 44 5 5 10 6 1 2 1 2 5 1 2 4 46 47 41 16 7 6 7 10 87 98 6 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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; 1HNMR: 75 74 m 2H \| 73 72 m 2H \| 39 38 m 1H \| 24 23 d 2H J 66 \| 19 18 dq 1H J 63 126 \| 9 9 dd 3H J 15 63 \| 9 9 dd 3H J 15 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(=CO)Oc1cccc(OC(=CO)C(=O)OC)c1C(=O)OC(C)(C)C	ir: 2 4 5 3 1 3 2 5 2 3 5 1 4 5 1 1 1 2 3 11 17 5 2 4 4 3 6 4 7 9 13 21 33 10 14 13 9 5 9 10 7 9 3 3 2 4 7 10 4 1 4 2 1 1 1 1 1 1 3 3 2 3 2 1 1 1 1 2 3 6 9 3 3 2 2 2 3 1 2 1 1 4 4 2 1 1 1 2 4 6 12 5 1 2 4 6 6 6 16 31 46 34 34 7 6 2 2 2 1 3 5 8 10 10 2 1 3 5 6 4 2 2 1 1 1 1 1 6 2 6 9 2 1 0 1 4 1 0 0 1 14 4 1 2 5 8 18 3 2 22 6 1 1 1 1 0 1 6 11 1 0 0 9 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 3 6 5 1 9 34 6 8 8 10 80 100 46 19 4 1 1 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 0 0 0 0 0 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 75 d 3H J 48 \| 73 73 m 1H \| 70 70 d 3H J 84 \| 39 38 s 6H \| 16 16 s 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccc(NC(N)=O)c(C#N)c1	ir: 0 0 0 0 0 1 2 0 1 0 0 1 2 1 3 12 3 8 5 1 0 1 5 1 0 0 0 1 0 0 0 1 1 1 1 3 3 3 26 6 2 8 28 10 2 1 1 1 0 0 1 1 1 7 3 11 2 1 1 0 0 0 0 0 0 0 0 1 1 0 1 1 0 0 0 0 1 3 1 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 2 6 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 1 13 12 5 6 6 22 1 1 0 1 35 100 2 1 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 3 8 5 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 3 0 2 1 1 1 7 11 4 4 2 1 3 68 17 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 89 s 1H \| 76 75 d 1H J 71 \| 74 74 dt 1H J 8 19 \| 73 72 ddt 1H J 8 19 71 \| 61 61 s 2H \| 27 26 qt 2H J 9 71 \| 13 12 t 3H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(NC(=O)OC(C)(C)C)c1ccc(Br)cc1	ir: 5 4 3 2 2 1 1 2 8 5 3 4 2 4 5 4 5 4 2 2 2 1 2 3 2 11 18 12 20 18 10 6 4 4 3 3 3 8 5 1 2 0 1 1 1 0 1 1 1 0 2 5 4 5 8 4 5 2 2 2 1 2 2 3 1 0 1 2 3 1 1 2 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 2 1 1 3 4 16 9 3 3 1 3 2 4 1 1 2 1 1 1 2 2 4 6 9 2 1 1 3 2 3 7 5 7 6 3 3 4 3 4 3 5 5 15 5 7 3 2 1 1 1 1 2 1 2 6 8 49 67 10 14 12 12 100 22 5 7 3 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 2 3 2 1 1 1 1 1 1 1 2 7 6 7 5 26 4 13 21 8 3 5 5 2 0 1 2 2 1 2 1 1 0 1 1 1 0 1 2 1 1 3 8 14 8 3 4 2 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 75 74 m 2H \| 73 72 m 2H \| 53 53 d 1H J 75 \| 53 52 m 1H \| 16 15 d 3H J 59 \| 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)C1C=Nc2c(ccc3ncccc23)N1O	ir: 3 5 3 5 6 5 12 8 11 11 2 11 31 12 10 5 6 5 2 3 2 2 2 5 2 2 2 1 2 5 3 3 3 2 2 2 5 1 2 7 13 1 1 2 3 1 1 1 1 1 2 3 1 1 6 15 73 7 5 0 1 3 2 2 4 2 1 1 3 9 4 1 2 2 3 3 4 10 2 2 2 1 4 4 6 14 19 4 7 24 7 2 5 3 2 11 11 6 21 3 4 1 1 1 4 9 2 1 1 1 1 6 3 5 5 6 2 2 2 2 2 1 1 1 2 5 2 3 4 3 1 4 6 2 1 1 2 1 2 5 6 2 2 5 28 6 7 4 20 32 3 17 7 1 1 2 17 3 2 2 1 1 1 1 1 1 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 3 4 5 2 3 4 5 11 33 13 12 3 2 4 7 4 100 5 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 88 dd 1H J 21 41 \| 85 84 dd 1H J 20 71 \| 83 82 s 1H \| 78 77 d 1H J 77 \| 77 76 d 1H J 77 \| 75 74 dd 1H J 41 70 \| 74 74 d 1H J 82 \| 46 45 d 1H J 84 \| 43 41 p 2H J 65 \| 13 12 t 3H J 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(N(Cc2ccccc2Cl)[C@H]2CCN(Cc3cccnc3)C2)cc1Cl	ir: 1 2 0 4 2 3 2 2 1 1 1 1 0 1 2 1 1 1 1 1 0 3 2 2 2 1 2 2 3 2 2 2 5 8 5 4 2 1 7 14 10 6 100 21 8 1 2 1 1 1 1 1 1 1 1 3 9 1 3 1 1 3 8 1 1 2 3 4 4 6 8 3 5 4 3 3 3 5 6 15 5 2 1 4 3 11 8 3 5 6 8 6 3 6 6 4 2 4 5 2 2 1 1 1 2 1 0 0 1 1 1 6 5 1 3 1 1 1 1 1 3 4 3 5 4 2 1 1 1 2 2 2 1 2 1 1 9 3 4 16 2 1 1 1 1 1 1 3 18 11 3 2 5 6 1 0 1 1 7 1 1 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 3 5 12 32 26 5 3 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 86 dq 1H J 10 19 \| 85 84 ddd 1H J 13 20 42 \| 77 77 dddd 1H J 8 19 29 79 \| 76 75 d 1H J 81 \| 74 74 dd 1H J 16 78 \| 74 73 ddt 1H J 9 20 77 \| 73 72 m 3H \| 70 70 d 1H J 21 \| 68 67 dd 1H J 22 82 \| 46 45 dd 1H J 8 148 \| 45 44 dd 1H J 8 148 \| 38 38 dt 1H J 9 139 \| 37 37 dt 1H J 10 139 \| 37 36 m 1H \| 30 29 m 1H \| 29 28 m 2H \| 27 26 dddd 1H J 16 40 60 118 \| 22 21 dddd 1H J 33 41 59 116 \| 20 19 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nc(N)c(Cc2cccc(Cl)c2Cl)c1O	ir: 13 8 7 6 4 3 2 2 3 2 2 3 2 4 2 4 2 6 8 7 6 6 4 4 2 3 4 3 3 4 2 4 3 3 2 2 2 3 2 2 2 1 2 2 2 2 7 10 12 6 2 2 2 2 2 2 2 3 4 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 2 1 2 3 4 1 1 1 1 1 1 6 16 8 2 2 2 2 2 4 7 6 3 3 3 3 2 2 1 1 2 2 2 2 3 5 2 1 1 1 1 1 2 2 2 2 2 2 1 2 2 1 2 2 2 1 2 3 2 1 5 4 1 2 5 8 6 2 1 2 2 1 1 4 8 5 6 5 3 5 10 68 56 11 3 2 2 2 1 2 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 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 2 1 1 1 2 1 1 1 3 2 1 2 3 2 2 3 4 5 7 8 5 3 1 1 3 3 100 63 4 1 1 2 2 1 0 6 28 27 4 1 1 2 2 1 2 1 1 7 54 77 5 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 s 1H \| 73 72 m 2H \| 71 71 ddt 1H J 9 15 75 \| 59 59 s 2H \| 39 39 d 2H J 9 \| 36 36 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCc1nn(Cc2ccc(C(=O)O)cc2)c2c1CCCC2	ir: 0 1 1 1 3 3 1 1 1 2 6 5 9 4 6 8 3 4 2 6 20 55 14 13 6 4 3 4 2 1 1 3 1 0 1 1 1 0 1 1 2 1 0 1 2 3 1 1 2 1 3 7 2 2 1 3 13 5 1 2 1 0 1 2 1 1 1 1 1 1 1 2 1 2 11 3 3 1 20 57 5 2 1 1 1 2 2 4 2 1 3 3 1 1 1 1 1 1 2 2 0 1 1 1 0 1 3 3 1 1 3 1 1 4 8 18 5 2 4 5 4 4 1 2 1 6 2 2 1 2 1 1 1 1 1 1 4 1 1 3 3 4 12 16 4 2 3 2 3 6 2 8 2 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 2 2 1 1 1 1 1 1 1 4 8 4 9 18 5 1 2 1 1 1 2 4 24 100 44 3 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 s 1H \| 79 78 m 2H \| 77 76 dt 2H J 8 73 \| 53 53 t 2H J 9 \| 29 28 m 2H \| 27 26 m 4H \| 19 18 ddt 4H J 27 44 68 \| 17 17 p 2H J 72 \| 15 14 h 2H J 72 \| 10 9 t 3H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-c2ccc(C)c(N)c2)[nH]n1	ir: 18 16 11 15 14 6 10 7 9 20 17 5 4 5 5 4 6 4 2 2 4 4 11 9 5 5 8 6 2 5 4 6 4 4 3 7 3 4 4 3 4 2 3 3 3 5 2 2 5 20 22 4 5 12 13 5 5 2 3 2 3 2 2 2 2 2 7 15 7 4 4 5 4 15 14 3 3 3 3 7 18 12 5 3 2 2 2 2 2 4 10 9 6 17 27 4 1 2 2 3 7 3 2 2 1 2 3 12 9 2 2 2 1 3 4 8 5 6 6 5 3 3 3 2 2 3 3 2 2 2 2 2 3 2 2 2 3 2 21 22 3 2 2 3 4 2 2 5 13 17 25 8 8 6 12 16 21 8 57 62 4 7 3 1 1 5 2 0 1 3 1 0 1 3 1 0 2 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 2 2 2 1 1 2 2 2 1 2 2 2 2 2 2 2 2 2 8 6 11 17 30 12 11 12 8 3 2 2 3 2 2 2 2 2 1 3 3 2 32 48 7 3 3 4 6 13 23 20 15 14 100 64 34 4 2 4 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 2 2 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 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 74 74 dd 1H J 22 81 \| 72 71 dq 1H J 10 81 \| 69 69 s 1H \| 68 68 d 1H J 22 \| 42 42 s 2H \| 23 23 s 3H \| 22 22 d 3H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(O)C#CCC1CC1	ir: 2 6 5 5 3 5 6 4 3 3 2 3 4 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 3 3 4 3 6 4 4 6 6 7 6 4 2 1 2 2 1 2 3 2 1 3 3 3 1 2 2 1 1 2 2 3 2 4 4 4 2 3 3 1 8 7 15 26 4 17 20 14 11 23 33 45 100 18 31 12 13 5 3 6 3 4 5 1 2 2 2 2 2 2 2 1 2 1 4 3 3 3 5 3 6 5 2 4 3 3 3 4 5 3 2 2 3 3 2 3 2 1 1 1 1 2 1 1 1 1 1 1 1 1 2 2 2 5 3 2 3 3 3 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 2 1 2 2 3 3 7 7 5 5 10 9 17 7 11 10 12 8 7 8 7 3 7 28 11 68 42 4 17 4 1 0 2 2 2 1 2 2 2 2 3 3 2 2 3 4 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 46 45 qdt 1H J 26 59 71 \| 26 26 d 1H J 57 \| 22 22 dd 2H J 26 48 \| 15 14 d 3H J 71 \| 14 13 m 1H \| 6 5 m 2H \| 3 3 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
S=C1Cn2c(cc3ccccc32)-c2cc(Cl)ccc2N1	ir: 1 3 1 2 5 4 1 9 6 2 1 4 7 2 5 2 4 5 1 5 4 1 1 2 2 1 1 10 9 2 5 20 9 7 8 34 2 4 9 3 2 0 44 7 5 4 5 18 19 4 3 2 2 6 25 16 2 1 2 1 3 1 2 2 1 1 5 6 15 14 4 2 2 7 2 3 1 1 2 2 3 3 2 6 3 2 2 2 1 1 4 8 3 1 2 3 2 13 9 10 3 2 1 2 3 9 6 11 2 10 2 2 1 2 2 2 1 2 3 19 8 4 2 2 2 2 4 4 17 3 2 1 1 2 2 3 1 2 3 6 4 5 3 6 14 10 2 3 19 33 3 9 100 40 3 3 2 1 2 2 2 5 2 4 3 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 3 2 2 1 2 3 3 6 8 12 32 98 31 21 9 8 3 1 4 2 2 1 2 2 2 2 2 2 2 2 3 2 1 3 6 57 33 6 5 3 2 1 2 1 1 1 1 1 1 2 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 dt 1H J 22 66 \| 76 76 d 1H J 81 \| 76 75 m 2H \| 73 72 m 4H \| 64 63 d 1H J 21 \| 50 49 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)C1CCC(c2ccc(F)cc2)CC1	ir: 1 1 0 4 1 1 0 1 1 1 1 1 1 5 5 2 1 4 6 3 10 14 2 2 3 1 0 1 1 1 1 1 2 6 1 1 1 1 2 1 1 1 1 1 2 1 1 0 1 3 3 25 8 67 100 16 6 6 1 3 1 0 1 2 1 3 1 5 7 14 3 4 3 4 1 2 1 1 2 1 0 0 1 1 0 1 1 6 2 1 2 3 1 0 2 3 2 10 9 2 1 1 2 3 1 3 7 7 5 6 20 4 9 4 2 3 3 2 3 4 10 12 5 8 5 4 4 2 1 2 2 1 1 3 3 8 7 4 5 2 5 22 5 2 4 3 5 29 16 7 1 2 8 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 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 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 1 3 7 5 3 4 3 6 4 7 4 5 18 8 7 53 26 3 4 3 2 1 2 3 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 72 72 m 2H \| 71 70 m 2H \| 27 26 m 1H \| 25 24 pq 1H J 15 64 \| 22 22 d 3H J 15 \| 20 19 m 4H \| 17 16 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Brc1cc(COCc2ccccc2)sc1C=NN=C(c1ccccc1)c1ccccc1	ir: 1 2 1 2 2 2 2 3 2 2 2 3 2 3 8 7 3 5 3 3 1 3 5 4 3 2 4 2 7 12 15 19 15 13 6 6 3 4 7 33 15 48 17 10 4 4 2 0 2 1 1 3 2 1 1 0 2 2 1 4 8 2 2 3 4 3 2 6 7 16 9 10 13 3 7 3 7 4 7 3 2 1 1 1 1 1 1 3 5 2 1 3 2 8 9 10 8 5 3 1 1 1 1 1 1 1 20 2 1 12 1 1 1 1 2 3 17 45 7 6 6 3 3 11 16 6 7 3 1 2 3 2 2 6 9 60 24 5 7 100 9 6 15 25 15 8 6 2 2 1 1 5 4 2 1 4 2 1 0 1 2 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 1 1 1 2 2 0 1 3 2 1 3 8 8 14 47 84 48 23 7 2 5 5 3 0 3 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 83 83 s 1H \| 77 76 m 2H \| 76 76 m 2H \| 75 74 m 5H \| 74 73 m 1H \| 73 73 m 2H \| 73 73 m 3H \| 73 72 d 1H J 8 \| 47 46 d 2H J 10 \| 45 45 d 2H J 9	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1nc(Nc2cc(N[C@@H]3CCOC[C@@H]3N)nnc2C(N)=O)ccc1OC	ir: 1 1 3 2 2 1 1 3 2 3 3 3 4 12 6 5 10 6 6 12 18 14 22 21 31 21 4 6 6 7 5 27 1 4 4 3 10 6 8 5 3 6 2 10 6 37 16 2 7 3 5 2 2 8 12 34 4 22 8 31 10 8 4 7 9 19 10 5 15 21 5 6 8 7 7 8 2 2 6 7 16 13 2 2 2 4 2 8 3 1 1 2 2 2 1 1 1 1 0 1 2 2 6 6 4 3 3 2 3 5 2 16 7 7 1 1 1 5 2 2 4 3 1 4 6 8 6 8 8 15 20 7 6 10 6 21 3 3 1 4 4 50 22 23 5 3 7 2 1 3 2 3 7 3 10 5 3 0 57 3 20 7 100 12 2 2 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 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 1 1 1 1 1 1 2 1 1 2 1 3 2 5 3 4 10 13 3 3 1 1 1 0 1 0 2 2 4 4 6 13 6 5 16 3 5 6 16 21 16 50 30 7 5 5 12 36 6 2 1 0 0 1 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 96 95 s 1H \| 70 69 s 2H \| 68 68 d 1H J 82 \| 68 67 d 1H J 84 \| 67 66 s 1H \| 63 63 d 1H J 86 \| 39 38 s 2H \| 38 37 m 3H \| 36 35 m 2H \| 33 32 ttd 1H J 10 38 67 \| 27 27 t 2H J 64 \| 22 21 ddt 1H J 32 62 143 \| 19 17 m 6H \| 10 10 t 3H J 80	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(C(F)(F)F)CC1=O	ir: 5 1 4 8 11 5 4 7 3 6 5 7 5 8 3 5 6 8 4 3 3 3 5 5 5 2 2 4 7 18 25 4 3 1 1 2 1 3 1 1 1 0 1 2 1 1 1 3 3 1 1 2 7 10 3 4 4 0 1 3 2 1 5 5 7 6 2 3 3 3 2 2 1 0 1 1 0 0 1 1 0 1 2 3 0 0 1 1 1 5 5 2 3 2 3 2 2 9 18 5 5 9 5 18 16 5 2 8 4 8 20 10 9 6 7 6 2 19 19 24 13 8 9 4 6 13 8 11 16 7 10 17 4 4 3 3 3 1 2 0 0 1 1 0 0 2 4 17 28 5 3 0 16 100 67 3 1 1 1 1 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 2 1 1 3 2 2 4 3 6 3 3 7 4 2 5 16 26 8 5 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 43 42 td 1H J 90 120 \| 39 38 td 1H J 90 119 \| 29 29 ddq 1H J 21 89 143 \| 27 25 m 2H \| 22 20 m 1H \| 19 18 m 1H \| 15 15 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=CCN1CCc2c(Br)cccc2C1=O	ir: 1 1 0 1 2 2 2 2 5 5 4 2 1 3 1 4 5 2 3 1 1 1 1 1 1 1 1 1 1 2 4 6 3 1 1 2 1 2 8 71 100 14 18 2 2 2 3 6 30 10 1 1 1 3 4 4 2 1 3 2 2 1 2 1 2 3 1 1 3 5 1 3 1 1 1 2 0 0 0 1 0 2 2 6 2 2 1 2 3 27 1 3 13 2 3 3 6 2 4 2 1 2 2 2 11 5 3 1 2 1 1 3 5 6 4 2 3 4 5 5 1 4 7 40 51 10 10 18 3 1 2 5 3 3 7 30 4 1 1 4 31 4 2 9 22 3 2 4 6 22 6 5 40 12 6 2 9 2 31 2 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 1 1 2 3 1 1 2 3 2 2 4 4 2 2 1 3 3 8 9 9 36 21 7 1 3 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 98 98 t 1H J 42 \| 77 77 dd 1H J 14 82 \| 76 75 dd 1H J 14 82 \| 74 73 t 1H J 82 \| 43 43 d 2H J 42 \| 38 37 t 2H J 52 \| 31 30 td 2H J 14 50	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(CC2CC2)cc1Br	ir: 13 26 22 11 11 8 7 8 6 5 2 3 4 4 4 4 3 3 3 3 2 3 3 2 2 3 2 2 2 2 3 3 3 4 7 7 7 5 4 4 6 4 4 4 3 3 3 3 4 4 5 4 4 13 6 13 5 3 2 2 2 2 2 2 3 5 3 5 3 3 3 3 2 3 3 8 10 8 3 2 2 3 3 8 7 5 4 7 6 4 4 2 3 3 2 3 3 2 3 31 18 4 1 2 3 2 2 2 3 2 2 2 3 2 4 4 5 4 3 3 5 3 2 3 3 3 3 3 3 2 2 3 3 2 2 2 2 2 2 3 3 2 3 3 3 3 4 4 4 9 5 11 5 4 14 20 35 9 10 9 10 8 43 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 3 3 2 2 2 2 2 2 3 2 2 2 6 4 4 3 4 3 2 4 6 5 3 8 5 13 16 16 15 8 3 4 5 3 2 3 4 2 1 3 4 1 0 8 27 52 10 1 1 3 3 2 3 8 5 7 86 16 100 3 3 4 3 2 2 3 2 2 2 2 2 2 2 3 2 2 3 2 3 2 2 2 2 2 2 2 2 3 2 3 2 3 2 3 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; 1HNMR: 72 72 dt 1H J 9 21 \| 70 69 ddt 1H J 9 20 77 \| 67 67 d 1H J 77 \| 39 39 s 2H \| 26 26 dt 2H J 8 64 \| 15 14 hept 1H J 61 \| 8 7 m 2H \| 6 5 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1ccc(/C=C2/C(C)=C(C(C)N(O)C3CCCCO3)c3cc(F)ccc32)cc1	ir: 3 2 2 5 12 4 14 20 5 11 16 5 4 3 2 5 2 2 6 1 1 1 1 0 1 1 1 2 3 1 0 1 1 1 2 3 1 1 1 1 1 1 1 1 1 1 2 0 1 2 5 4 3 23 29 37 18 0 5 3 3 3 5 1 1 5 14 11 10 4 8 7 3 3 2 3 3 8 4 8 3 22 17 41 15 47 5 1 6 3 7 9 1 4 3 12 5 2 14 5 5 10 2 9 3 1 1 1 0 4 7 3 10 2 3 6 11 2 3 3 1 2 5 4 4 2 1 3 1 6 2 4 4 3 3 2 2 1 1 0 0 1 1 1 3 6 17 7 3 1 3 13 13 6 4 2 1 4 5 1 0 0 3 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 0 1 1 0 1 1 1 0 1 2 1 1 2 2 2 2 2 3 6 4 3 5 27 17 65 54 34 21 6 6 3 0 22 100 24 4 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 dd 1H J 49 84 \| 75 75 m 3H \| 73 72 m 4H \| 71 71 ddd 1H J 27 84 101 \| 50 49 q 1H J 72 \| 47 46 m 1H \| 38 37 m 1H \| 36 36 m 1H \| 25 25 s 3H \| 24 24 s 3H \| 21 20 m 1H \| 18 17 m 2H \| 17 16 m 3H \| 13 13 d 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC(=O)[C@@H](N)CC1CCCCC1	ir: 0 0 1 1 3 1 1 1 1 1 4 2 0 0 1 1 1 1 1 2 0 0 1 1 0 0 0 0 0 0 0 0 0 1 4 2 1 3 2 1 1 1 0 0 1 1 1 0 3 2 13 2 2 2 2 4 5 11 8 11 7 3 2 2 2 2 1 2 3 7 1 0 2 1 2 4 3 1 2 8 7 7 9 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 3 2 1 1 1 2 1 2 2 1 4 7 7 12 28 12 3 1 1 3 2 2 1 0 0 1 1 4 1 1 31 7 17 5 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 0 0 1 1 1 4 8 2 1 1 0 0 0 0 0 0 0 0 0 1 0 1 5 13 16 5 1 1 1 2 2 7 100 18 18 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 71 s 1H \| 48 48 d 2H J 63 \| 38 37 p 1H J 63 \| 19 18 ddd 1H J 64 79 152 \| 18 17 tp 1H J 63 79 \| 17 16 ddd 1H J 63 78 152 \| 15 14 m 6H \| 14 14 s 9H \| 14 13 m 2H \| 12 11 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(Br)c(NC(=S)C2CC2)n1	ir: 5 6 22 19 11 9 9 8 17 6 5 23 11 14 9 13 11 6 6 9 5 6 5 5 52 54 14 4 7 10 11 24 11 12 12 12 18 11 15 18 21 28 5 3 3 3 3 1 11 7 3 3 9 100 61 11 5 0 2 4 2 1 7 18 2 1 2 3 2 1 2 2 1 1 2 4 4 7 5 2 3 5 8 6 6 6 9 34 20 6 4 7 45 4 2 4 14 29 4 8 19 8 4 2 4 3 2 2 3 2 3 20 8 9 4 11 18 8 13 22 45 11 1 5 3 3 1 3 3 2 1 2 3 3 2 5 13 19 4 8 25 43 15 66 83 45 41 30 80 55 18 8 18 18 7 4 3 4 4 7 4 5 2 1 1 3 2 1 2 3 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 1 2 2 1 2 2 2 3 2 2 1 1 2 2 2 4 3 3 6 9 10 10 8 9 20 72 48 4 8 9 2 5 3 2 2 2 2 4 4 7 3 2 4 6 5 12 11 22 48 83 93 61 13 5 5 2 5 3 1 2 4 2 1 2 2 2 1 2 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 81 81 d 1H J 88 \| 77 76 d 1H J 88 \| 40 40 s 3H \| 26 25 p 1H J 53 \| 13 12 m 2H \| 10 10 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)=CCn1c(C2CCNCC2)nc2c1c(=O)n(C)c(=O)n2C	ir: 11 8 3 8 5 17 11 5 2 5 2 3 1 6 5 10 7 5 4 4 22 9 6 3 2 3 5 6 11 2 2 1 2 6 3 1 2 3 3 5 2 4 6 6 6 7 12 4 3 3 7 2 4 2 17 27 11 4 6 4 4 5 11 10 7 5 29 4 8 8 9 8 8 5 62 21 17 9 6 2 3 3 3 3 3 9 5 2 3 6 6 10 7 10 3 6 9 7 6 3 5 4 3 5 9 13 20 9 8 8 22 20 26 66 100 45 47 43 13 22 31 12 18 16 32 28 38 21 7 14 21 18 10 5 9 8 6 5 3 5 3 3 1 3 2 2 8 9 3 5 12 13 5 0 2 4 3 2 5 12 2 0 2 3 2 1 1 3 2 1 1 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 3 1 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 3 3 2 3 3 12 56 10 9 8 16 3 17 10 25 22 15 19 28 74 60 59 51 24 26 24 7 7 5 8 3 0 3 2 1 1 3 3 1 1 2 3 5 36 8 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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 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: 53 53 ddp 1H J 16 46 78 \| 49 48 ddq 2H J 10 20 60 \| 35 35 d 6H J 49 \| 33 32 p 1H J 57 \| 32 31 dddd 2H J 27 38 53 134 \| 29 28 dddd 2H J 26 38 53 134 \| 24 24 p 1H J 38 \| 22 21 dtd 2H J 27 56 140 \| 19 18 dtd 2H J 26 56 141 \| 18 17 ddt 6H J 12 20 185	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1c(Cl)ccc2nnc(C(F)(F)F)n12	ir: 4 6 3 4 9 8 23 11 10 4 3 5 2 3 3 3 10 4 4 5 2 2 7 4 2 1 4 2 1 2 2 2 2 3 3 1 1 2 2 0 0 3 2 0 2 4 3 2 1 3 2 0 1 6 3 1 4 8 22 57 21 5 4 2 6 6 3 3 3 3 1 2 6 13 13 4 5 5 3 5 3 8 5 8 15 28 28 21 80 90 43 23 12 9 3 6 64 40 100 15 3 3 3 3 2 4 13 3 1 1 2 1 2 2 4 2 1 1 1 1 2 2 1 7 11 4 1 2 5 2 1 1 1 1 1 3 3 1 1 2 1 1 3 24 17 1 2 1 1 1 1 13 9 1 1 2 1 0 1 3 5 2 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 2 3 2 1 4 3 3 2 5 2 5 5 9 4 2 4 10 6 7 10 14 27 7 19 43 25 7 10 20 32 71 26 9 2 6 8 4 4 9 12 10 6 5 6 2 6 5 3 3 4 4 5 3 2 2 2 4 1 2 2 2 3 2 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 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 76 75 d 1H J 92 \| 75 75 d 1H J 93 \| 49 48 d 2H J 53 \| 43 42 t 1H J 52	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCON=C(C(=O)OC)c1nsc(NP(=O)(OCC)OCC)n1	ir: 8 10 26 22 9 10 2 5 5 5 5 9 8 14 4 21 8 8 5 5 3 12 11 5 7 7 11 6 8 7 15 14 23 14 8 15 6 8 16 5 12 4 10 10 5 6 4 3 5 2 5 3 2 3 7 7 8 7 7 10 13 13 10 3 7 5 11 17 34 10 5 4 13 20 62 30 17 55 14 25 29 43 43 78 10 4 6 5 2 4 3 2 3 4 3 3 4 3 6 4 2 2 2 3 7 4 5 1 1 1 1 1 4 3 2 4 6 12 10 8 2 3 3 3 3 3 4 14 15 40 42 100 41 23 17 24 27 22 24 11 12 7 5 2 1 3 1 2 1 0 1 2 3 5 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 2 1 0 2 2 2 2 2 3 5 7 6 4 11 8 22 6 7 7 4 5 5 4 6 5 3 4 2 2 2 1 1 2 2 3 4 6 7 6 8 8 9 30 42 48 62 36 53 13 9 5 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 84 84 s 1H \| 60 59 m 1H \| 53 52 m 2H \| 47 46 dt 2H J 14 58 \| 42 41 dq 4H J 68 86 \| 38 38 s 2H \| 13 13 td 6H J 7 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1cc(Br)ccc1F	ir: 3 2 1 2 6 7 3 4 4 2 21 16 3 2 3 3 10 10 3 4 5 3 2 3 4 1 2 5 9 10 15 24 42 28 14 4 15 29 28 11 14 8 4 17 9 2 2 3 5 8 5 8 25 19 31 22 4 2 5 8 3 4 7 13 13 27 24 29 16 56 38 8 9 3 4 5 3 2 5 4 7 6 5 3 1 1 3 6 4 3 3 3 2 1 3 7 15 12 12 5 2 38 26 3 0 2 3 3 1 2 4 3 1 4 6 5 7 8 18 13 10 7 7 5 2 4 5 2 2 4 6 1 1 6 6 9 8 60 21 4 4 9 10 13 42 100 54 40 15 5 5 23 24 62 70 25 5 4 3 3 4 22 20 6 3 2 3 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 2 2 2 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 3 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 5 5 3 2 2 3 3 1 3 2 3 4 4 8 29 41 21 25 40 54 10 8 6 4 4 3 3 4 4 5 5 4 3 3 3 5 5 6 18 28 73 64 28 24 8 6 8 5 4 3 3 2 3 2 2 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 95 95 d 1H J 31 \| 79 79 dd 1H J 22 31 \| 74 73 ddd 1H J 22 37 77 \| 72 71 dd 1H J 77 102 \| 22 22 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(c2cc3cccnc3[nH]2)CC1	ir: 1 1 1 1 0 1 1 1 0 1 2 3 7 17 36 1 3 9 4 32 7 9 4 1 39 2 1 0 0 2 2 0 0 2 3 4 3 30 61 100 10 2 6 5 9 2 4 2 3 8 11 4 5 1 2 2 1 0 1 3 2 5 15 5 4 5 2 2 1 1 2 3 1 1 2 6 16 2 3 3 4 2 1 3 30 8 2 3 11 2 2 2 7 22 3 5 6 12 6 1 2 1 1 1 1 3 3 2 1 1 1 4 1 1 1 2 4 3 2 1 2 5 4 2 3 3 17 2 2 2 2 3 4 2 1 3 19 16 21 4 2 1 1 5 2 1 3 3 11 4 2 8 4 3 32 14 35 52 4 7 4 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 7 4 3 5 3 6 19 40 30 29 7 6 3 2 2 1 2 2 1 1 1 1 1 1 1 1 2 4 5 5 11 6 22 76 11 3 3 3 2 2 1 2 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 90 89 s 1H \| 87 86 dd 1H J 16 38 \| 83 83 dt 1H J 20 73 \| 74 74 dd 1H J 39 74 \| 66 66 d 1H J 22 \| 13 13 s 3H \| 12 12 m 2H \| 10 9 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2c(-c3ccccc3)oc3ncnc(O[C@H]4CC[C@H](O)C4)c23)cc1	ir: 2 3 2 2 2 2 1 2 2 4 2 3 2 4 2 3 1 3 4 6 5 5 2 2 2 3 1 2 2 3 2 3 8 3 3 6 6 6 13 100 63 24 19 10 3 2 2 3 2 2 2 10 9 4 2 2 31 2 2 4 3 2 4 3 2 1 2 5 5 29 4 3 3 4 2 5 7 8 3 2 4 3 3 4 9 20 12 8 22 8 11 6 5 4 6 5 7 3 19 9 3 3 2 2 2 2 5 4 2 3 3 2 2 2 1 1 1 1 3 2 2 3 4 4 9 3 3 3 3 2 13 8 15 3 16 9 2 2 1 1 9 10 2 1 2 5 3 24 13 8 3 15 11 13 5 4 70 11 2 0 1 5 1 4 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 3 3 2 2 5 2 3 3 4 3 2 4 7 11 28 9 33 17 16 5 3 4 11 9 30 17 11 3 3 2 1 2 2 3 2 2 2 1 1 2 2 2 2 2 2 2 1 2 2 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 1 1 1 1 1 1; 1HNMR: 85 85 s 1H \| 78 77 m 2H \| 75 74 m 3H \| 74 74 m 2H \| 70 69 m 2H \| 51 50 m 1H \| 42 41 m 1H \| 38 38 s 2H \| 24 24 d 1H J 51 \| 23 22 dddd 1H J 8 45 68 145 \| 22 21 dddd 1H J 33 58 81 136 \| 20 20 m 1H \| 20 19 m 1H \| 19 18 m 1H \| 17 16 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=CCc1ccc(Br)cc1	ir: 3 4 5 2 2 3 1 2 5 10 8 6 10 5 13 15 11 7 5 4 2 1 2 1 2 1 1 1 1 1 2 2 3 3 2 2 1 2 1 2 2 3 2 3 2 3 3 4 3 5 7 15 12 17 40 26 18 9 6 7 5 5 6 4 9 3 7 8 12 7 4 6 4 2 1 2 1 0 2 1 2 1 1 1 1 5 4 2 2 2 4 14 100 5 2 3 0 2 2 5 2 6 6 8 12 4 6 4 1 2 3 2 1 5 6 5 3 10 3 4 2 3 7 6 5 2 3 2 1 2 2 1 0 1 1 1 0 1 1 0 1 1 3 3 4 20 54 8 11 43 22 17 7 6 2 2 1 1 1 1 4 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 4 2 1 3 5 4 3 3 2 8 11 27 26 31 48 57 11 7 6 2 2 2 2 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 97 97 t 1H J 61 \| 75 74 m 2H \| 74 73 dq 2H J 9 79 \| 38 38 dt 2H J 9 61	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(NC2CC2)C1	ir: 2 3 6 7 23 18 15 10 10 12 38 16 5 4 5 5 3 2 2 2 2 1 1 1 1 2 1 1 1 2 2 4 3 3 2 8 12 5 12 11 5 18 20 11 11 9 5 2 6 6 4 3 3 2 2 0 2 3 2 1 1 2 3 2 2 2 1 1 2 12 9 3 3 8 6 5 5 5 1 1 2 2 1 1 3 3 1 6 2 2 2 2 3 2 2 3 4 7 15 8 6 5 2 13 7 4 28 16 6 4 3 3 4 16 8 13 12 7 7 42 27 3 15 8 7 6 9 13 13 37 20 16 12 17 9 3 2 1 1 2 2 1 2 3 2 1 2 3 4 1 12 100 4 3 2 1 1 1 1 2 4 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 1 2 3 2 3 2 3 4 3 3 3 2 2 4 6 9 3 13 5 3 5 4 5 8 8 6 3 1 2 2 2 3 2 2 3 3 5 8 19 85 75 16 3 2 3 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 37 35 m 2H \| 35 34 ddd 1H J 56 75 127 \| 34 33 ddd 1H J 8 27 115 \| 33 32 dtt 1H J 27 36 71 \| 26 24 m 2H \| 21 20 dddd 1H J 35 56 75 130 \| 18 17 dddd 1H J 34 57 75 128 \| 15 14 s 7H \| 9 8 m 2H \| 6 6 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCCCc1nnn(CC(=O)O)n1	ir: 1 3 5 3 4 8 7 13 29 23 6 13 55 47 60 45 36 46 73 47 100 49 72 22 24 14 15 5 9 4 13 2 2 2 2 1 2 2 6 4 9 7 5 3 8 7 14 11 8 7 2 5 2 4 2 3 2 3 4 5 3 13 5 1 2 7 2 1 1 2 2 2 3 5 10 12 27 38 73 80 43 31 15 26 20 11 13 10 6 3 4 2 5 6 2 2 4 3 4 5 8 3 5 3 4 6 13 15 18 13 11 10 5 4 2 4 12 14 11 17 25 14 11 12 12 7 4 10 12 20 28 13 14 10 4 4 3 6 27 47 27 51 32 58 26 11 4 4 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 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 1 0 0 1 1 1 0 1 1 2 3 4 3 6 8 13 6 6 4 5 3 4 0 6 43 48 18 2 2 1 2 1 0 1 1 1 1 4 10 8 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; 1HNMR: 52 52 s 1H \| 28 28 t 2H J 78 \| 20 19 tt 2H J 78 92 \| 15 14 m 2H \| 14 12 m 17H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCCN1CCC(O)(Cc2ccccc2)CC1)c1ccc(O)cc1	ir: 4 6 3 5 3 5 4 2 4 6 10 5 7 7 6 5 5 10 2 4 4 5 6 4 4 1 2 3 9 3 7 8 12 3 4 8 12 1 6 37 52 33 15 6 3 6 3 5 4 2 2 0 3 5 6 21 8 6 4 1 1 2 2 2 3 2 1 3 7 8 4 1 2 2 14 17 8 10 15 8 11 49 6 5 6 10 5 10 11 9 10 9 3 4 7 7 5 4 9 5 3 5 3 2 2 2 4 2 2 3 2 2 6 6 8 3 2 2 3 3 5 7 3 5 6 9 19 5 4 4 4 3 3 9 7 8 8 6 3 2 3 8 20 39 32 10 14 5 5 2 8 11 12 2 3 3 1 0 1 2 1 1 5 6 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 2 3 1 2 1 2 1 4 4 6 17 27 44 24 18 5 5 9 11 100 88 30 10 3 1 1 2 1 1 1 2 2 1 2 5 13 13 30 7 3 2 2 1 1 1 1 1 1 2 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 83 82 s 1H \| 78 77 m 2H \| 76 75 t 1H J 46 \| 73 73 m 2H \| 73 72 m 3H \| 70 69 m 2H \| 35 35 td 2H J 46 53 \| 31 31 s 1H \| 29 28 ddd 2H J 35 61 124 \| 28 28 t 2H J 9 \| 28 27 t 2H J 53 \| 27 26 ddd 2H J 35 62 123 \| 19 18 ddd 2H J 35 62 132 \| 16 16 ddd 2H J 35 61 130	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCC(=O)N1CC2NC2C1	ir: 0 1 1 0 1 1 1 1 1 1 1 3 1 1 1 1 1 1 2 2 8 6 1 11 11 6 2 1 1 1 0 1 1 2 2 15 4 2 2 2 2 7 12 11 4 1 1 2 1 3 3 0 1 1 1 0 1 1 1 1 1 1 2 0 1 2 3 1 1 1 1 1 0 0 0 0 1 0 0 1 1 0 5 9 1 0 1 1 0 0 2 3 1 3 1 1 1 2 1 2 1 3 4 8 27 44 18 6 2 3 2 3 1 1 5 7 10 6 3 11 17 9 12 5 3 1 1 1 2 9 4 4 2 0 1 1 2 1 1 2 2 2 8 18 32 6 5 26 3 6 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 2 2 1 1 0 1 1 2 2 5 15 19 3 3 1 1 1 1 0 0 0 0 0 1 1 1 0 1 1 2 4 100 12 2 2 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 38 38 d 2H J 111 \| 37 36 s 3H \| 35 35 d 2H J 111 \| 32 31 d 2H J 55 \| 27 26 m 4H \| 16 15 t 1H J 56	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(NC(=O)CC(C)C)c(C)c(C)c1OCc1ccccc1	ir: 1 1 1 1 3 1 1 4 3 2 1 6 1 1 1 5 15 3 2 7 2 9 5 29 5 6 6 4 3 4 3 4 16 11 8 10 10 2 41 100 23 9 5 1 1 4 7 2 1 2 1 1 1 3 2 0 1 2 1 0 1 2 2 1 2 6 6 2 5 5 2 1 2 1 1 2 2 2 2 2 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 6 3 8 9 1 1 1 2 1 7 8 2 1 3 2 2 1 1 4 7 4 8 9 5 5 3 4 4 1 1 2 2 2 5 2 2 5 4 7 5 2 2 1 1 3 13 18 24 93 26 7 2 1 1 0 11 7 5 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 2 4 1 1 1 2 2 2 1 2 3 2 1 6 8 10 13 7 20 11 7 2 2 1 2 1 1 1 1 1 0 1 1 1 1 1 2 1 3 5 7 3 11 18 6 3 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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: 89 89 s 1H \| 74 74 dq 2H J 10 74 \| 74 73 m 2H \| 73 73 m 1H \| 51 51 t 2H J 9 \| 25 25 d 2H J 73 \| 24 24 s 2H \| 22 21 d 7H J 170 \| 10 9 d 6H J 69	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1onc(-c2cccnc2)c1COc1ccc(C(=O)NC2CC2)cn1	ir: 4 6 8 9 4 5 6 4 3 8 8 3 2 5 8 4 7 5 7 10 8 8 9 5 2 7 7 10 13 8 5 5 6 7 23 11 7 6 39 64 100 62 15 22 4 8 4 1 9 8 6 4 11 29 28 2 7 9 5 1 4 7 4 6 7 9 4 1 13 19 30 37 7 9 2 0 5 11 10 3 4 4 2 3 5 5 5 5 8 7 7 5 6 4 1 4 5 6 4 7 7 5 2 3 5 3 2 4 6 5 9 10 18 14 6 5 7 4 2 7 9 7 4 14 8 7 4 5 7 5 4 7 8 14 12 11 6 89 43 58 36 9 17 45 30 8 6 15 14 7 19 43 14 28 46 15 6 3 3 8 10 31 66 9 6 2 3 6 3 0 3 5 3 0 3 5 2 0 3 5 2 0 3 5 2 1 3 4 2 1 4 4 2 1 4 4 2 1 4 4 1 1 4 4 1 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 0 2 5 3 0 3 5 2 1 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 2 4 4 2 2 4 4 1 2 4 3 1 2 5 6 2 3 5 5 2 5 6 5 3 5 7 9 10 12 19 22 30 58 28 11 7 9 6 5 2 5 6 3 1 4 5 3 2 4 4 3 7 8 13 18 22 30 9 3 2 4 4 3 3 5 5 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4; 1HNMR: 88 88 d 1H J 20 \| 87 86 dd 1H J 17 48 \| 85 85 d 1H J 19 \| 81 80 dt 1H J 18 84 \| 80 80 dd 1H J 19 81 \| 75 74 dd 1H J 48 85 \| 73 72 d 1H J 73 \| 70 70 d 1H J 82 \| 55 55 s 2H \| 31 30 dp 1H J 47 73 \| 24 24 s 2H \| 10 9 m 2H \| 7 6 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(CCl)CN1CCN(C)CC1	ir: 1 2 4 2 0 2 2 1 0 3 2 2 0 2 2 1 0 1 2 0 0 1 2 0 1 17 3 0 0 1 1 0 0 2 1 0 1 2 2 1 2 5 2 1 1 2 2 1 1 2 6 1 7 4 2 6 7 11 5 2 2 2 2 1 2 3 23 0 14 4 3 2 3 4 2 3 3 8 10 24 100 54 10 3 44 15 40 5 3 5 5 6 2 1 2 2 38 14 50 23 24 18 6 7 3 4 2 5 8 5 9 4 4 4 1 3 3 5 3 4 6 2 1 2 2 2 1 3 3 7 2 2 5 2 1 2 4 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 1 1 1 0 1 1 1 0 1 2 1 2 1 2 3 4 3 2 2 1 2 4 3 4 11 7 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 37 37 dd 1H J 31 110 \| 35 34 dd 1H J 33 110 \| 27 27 dd 1H J 45 118 \| 26 25 m 9H \| 25 25 dd 1H J 45 118 \| 24 23 s 2H \| 21 20 ddqd 1H J 13 33 66 77 \| 11 10 d 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(OC)c(-c2cc3ccccc3s2)cc1/C=C/C(=O)c1ccc(C(=O)O)cc1	ir: 0 2 5 6 5 10 4 3 5 6 3 5 8 13 24 18 7 12 15 7 26 51 34 7 13 11 9 3 8 5 4 5 2 7 7 3 6 10 14 8 5 22 29 6 4 5 6 2 13 16 2 3 4 4 5 4 12 37 3 4 2 4 3 3 5 9 19 16 18 12 7 8 6 4 5 7 5 27 100 12 24 16 18 10 10 13 3 5 3 3 1 2 2 2 1 4 7 3 4 2 29 2 2 3 3 2 1 2 4 2 0 2 10 11 6 41 9 7 3 5 3 3 2 3 17 29 9 9 2 3 3 4 3 2 4 10 10 8 10 8 7 6 37 72 20 9 6 5 6 2 6 35 10 5 25 11 3 3 2 3 2 1 3 12 3 1 3 5 4 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 1 2 3 2 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 2 1 1 2 1 2 1 3 2 1 2 3 7 6 20 15 40 38 27 24 16 6 3 4 3 2 13 17 7 4 2 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 81 81 d 1H J 161 \| 80 80 m 2H \| 80 79 m 3H \| 79 78 m 2H \| 75 74 m 3H \| 74 74 d 1H J 21 \| 67 67 s 1H \| 39 38 d 6H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cc(N2CCN(C(=O)c3ccccc3)CC2)ccc1OC(F)(F)F	ir: 11 8 21 24 6 8 6 9 15 8 4 7 8 4 4 3 3 5 2 4 2 3 3 3 5 2 3 3 2 1 3 3 2 7 14 78 9 5 4 7 3 6 7 9 4 2 1 2 1 1 2 1 3 3 16 7 1 1 1 1 2 1 1 2 3 6 4 4 9 3 4 2 2 1 1 1 2 7 10 3 2 1 1 1 1 1 1 1 5 5 4 2 1 3 2 4 5 5 15 27 9 15 18 5 0 1 6 10 8 4 6 2 2 2 3 3 2 3 5 3 4 6 8 3 2 1 2 2 1 2 3 2 5 2 5 4 4 1 2 2 1 2 5 4 2 6 4 14 7 5 9 9 4 6 5 4 16 12 8 5 5 1 1 2 15 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 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 2 2 2 2 1 2 2 2 2 2 6 5 7 7 24 11 8 3 3 1 1 1 1 1 0 1 1 1 0 2 4 1 3 100 5 4 3 0 0 2 2 1 0 6 10 25 7 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 75 74 m 5H \| 71 70 d 1H J 79 \| 67 66 dd 1H J 22 79 \| 61 60 d 1H J 22 \| 44 44 s 2H \| 36 36 m 4H \| 34 33 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1	ir: 12 5 4 2 3 4 0 1 1 1 0 0 2 1 11 2 2 4 8 2 2 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 2 1 1 3 2 3 1 1 2 2 2 0 2 9 5 18 8 2 2 1 2 1 4 8 6 4 3 5 5 3 2 2 3 1 3 4 2 3 4 4 10 5 4 28 35 27 31 5 8 40 51 12 5 1 3 2 1 3 4 2 1 3 6 15 9 7 8 2 3 2 4 1 2 2 1 3 2 19 45 18 1 1 6 6 6 2 1 1 3 1 1 0 1 0 2 2 0 0 0 0 0 1 0 1 1 2 3 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 1 1 0 1 0 0 1 1 1 1 2 2 3 7 12 1 1 1 0 0 1 1 1 1 0 1 0 0 1 2 1 8 22 16 11 8 7 100 39 6 12 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 m 4H \| 72 72 s 2H \| 56 55 t 1H J 67 \| 30 30 q 2H J 64 \| 16 15 p 2H J 62 \| 14 13 h 2H J 65 \| 9 9 t 3H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CC(=O)NCNC1=O	ir: 1 1 0 1 1 2 2 3 1 2 2 1 1 1 1 1 2 1 5 19 6 2 2 2 1 2 1 2 17 8 13 15 21 26 24 18 4 12 13 14 100 13 11 13 5 3 4 2 2 2 3 3 5 1 2 2 2 1 2 1 1 1 1 1 6 1 2 2 1 0 1 2 2 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 0 1 3 1 2 2 1 1 3 4 3 1 1 1 1 3 3 3 16 6 4 2 2 1 1 2 1 0 2 3 5 3 9 13 15 9 5 2 1 0 1 2 1 1 2 2 1 4 4 15 44 48 13 2 6 2 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 1 1 1 2 1 1 1 2 2 1 1 0 2 2 2 3 10 2 1 1 1 1 1 1 0 0 0 0 1 1 1 1 1 1 1 1 1 2 1 1 2 6 6 39 20 10 7 17 4 5 2 2 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 76 75 t 2H J 31 \| 47 46 m 2H \| 30 29 h 1H J 73 \| 27 26 dd 1H J 77 168 \| 25 24 dd 1H J 77 170 \| 12 11 d 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cc1cccc(Cl)c1)c1ccccc1	ir: 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 5 3 0 2 3 1 3 7 2 1 1 4 3 5 18 10 19 3 3 10 12 2 2 19 9 3 3 9 7 0 4 12 9 1 1 3 4 4 2 3 1 1 0 0 1 0 1 1 1 2 5 11 10 9 2 2 1 1 1 1 1 2 4 6 1 0 1 1 1 1 9 12 1 1 1 1 2 1 1 1 3 5 2 2 2 1 1 1 0 1 1 1 4 8 3 3 2 4 2 1 1 2 6 4 10 4 3 11 13 5 4 3 7 8 8 4 2 2 21 8 3 3 4 13 35 20 39 13 11 38 15 3 1 1 1 2 1 4 16 2 1 1 1 4 6 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 4 1 1 2 1 0 4 4 8 14 44 100 36 26 10 4 3 2 1 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 80 79 dq 2H J 17 79 \| 76 75 m 1H \| 75 74 m 2H \| 74 72 m 4H \| 43 43 t 2H J 8	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C)c1ccc(NN)c(Cl)c1	ir: 7 3 3 2 5 3 1 3 4 6 7 13 1 9 5 3 3 4 2 12 40 35 22 9 11 33 54 50 39 42 27 22 19 26 47 25 86 10 14 12 9 4 5 6 7 23 17 20 14 7 7 4 6 5 20 41 16 1 4 3 3 2 2 2 1 3 11 6 3 2 2 3 3 4 6 5 3 2 15 17 3 1 2 2 3 3 4 2 7 9 3 4 2 4 3 4 6 11 16 17 30 2 4 4 1 3 1 1 1 4 6 7 20 17 4 5 1 6 14 5 8 7 14 4 2 2 3 3 12 28 28 5 27 15 8 6 5 4 5 7 15 27 48 57 63 16 12 5 9 6 38 7 40 6 19 5 2 3 1 0 1 1 3 0 0 1 1 0 1 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 3 2 3 1 2 2 1 2 1 2 3 6 6 5 13 14 4 43 20 12 5 2 2 3 1 2 3 4 1 2 2 5 33 40 6 5 7 2 2 9 17 52 100 53 61 11 8 7 3 2 2 1 1 1 1 1 1 1 1 1 2 1 1 0 0 1 0 0 0 1 1 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 dd 1H J 7 22 \| 73 72 m 1H \| 71 71 d 1H J 79 \| 63 63 t 1H J 41 \| 46 46 d 2H J 40 \| 42 41 qd 2H J 34 63 \| 38 38 m 1H \| 15 14 d 3H J 75 \| 12 12 t 3H J 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCN2C(=O)COC(c3ccccc3)(c3ccccc3)C2C1	ir: 6 7 5 5 3 10 13 6 7 12 11 20 6 3 2 2 3 2 3 1 3 3 2 2 3 4 5 3 5 2 9 22 20 19 11 6 3 1 11 9 20 38 14 7 5 0 1 1 1 0 1 1 1 1 2 2 3 0 1 2 0 1 4 2 3 3 2 7 21 9 10 2 1 2 2 2 2 5 5 6 1 0 1 2 2 0 1 1 1 4 2 1 0 1 2 2 1 2 2 1 1 1 2 3 2 2 3 1 4 2 9 8 3 3 10 12 8 7 24 17 8 6 15 14 14 8 10 8 4 4 7 10 6 17 8 33 4 1 1 3 2 2 3 33 28 9 8 3 4 57 8 100 9 6 4 1 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 1 1 3 1 2 2 4 3 2 2 2 2 5 4 9 26 8 11 79 30 3 2 1 2 2 2 1 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 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 9H \| 73 72 m 2H \| 49 48 t 1H J 51 \| 43 43 d 1H J 139 \| 43 42 m 2H \| 40 39 m 2H \| 36 35 m 3H \| 15 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Oc1ccc2c(CBr)cc(=O)oc2c1	ir: 8 3 0 5 13 4 2 9 8 3 7 22 8 4 1 4 6 7 7 6 8 2 15 6 9 4 1 4 3 1 2 4 12 7 4 3 7 2 4 5 3 2 2 4 4 1 2 5 3 2 5 5 3 0 7 42 15 1 3 5 2 1 5 6 14 33 25 40 59 16 5 6 2 1 12 4 2 1 4 5 1 1 3 4 2 1 6 4 1 2 6 6 7 84 13 4 2 3 14 8 1 13 4 3 1 3 5 4 7 23 11 5 22 4 7 4 2 17 7 2 0 4 4 8 7 3 8 4 3 5 16 3 2 4 5 3 3 45 9 1 1 4 4 8 25 7 8 2 3 11 21 14 9 41 17 2 2 5 6 49 100 9 5 17 4 5 3 1 2 4 2 0 2 4 2 0 3 5 2 1 3 4 2 1 3 4 1 1 3 4 2 1 3 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 4 3 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 3 4 2 1 3 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 2 2 3 3 1 2 4 3 1 4 5 3 1 3 8 6 2 3 6 4 2 5 12 21 11 16 42 46 22 17 13 5 3 3 4 3 2 3 3 2 1 3 3 2 2 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 75 75 d 1H J 86 \| 74 73 d 1H J 23 \| 71 71 dd 1H J 24 86 \| 62 62 t 1H J 13 \| 47 46 d 2H J 13 \| 23 23 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

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