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DeerEyeRain
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sel_dataset

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train · 715k rows

Output stringlengths 5 127	Input stringlengths 850 1.64k	Instruction stringclasses 1 value
O=C(O)c1cc(C(F)(F)F)cc(S(=O)(=O)N2CC3(COC3)C2)c1	ir: 24 7 9 6 7 7 10 3 3 2 1 2 7 3 4 17 4 27 1 4 8 19 44 30 8 1 2 3 3 2 2 2 6 19 8 7 3 2 2 2 2 2 1 4 4 2 4 4 3 1 2 3 2 1 10 8 2 1 2 3 2 1 19 4 6 17 39 22 7 6 3 3 5 7 9 4 1 5 65 7 5 5 6 5 21 8 11 28 14 6 3 8 38 7 9 3 1 3 27 29 6 13 26 2 4 2 1 11 18 3 3 2 10 20 12 3 1 2 9 2 1 1 2 4 6 3 3 11 12 16 8 6 1 2 2 2 1 2 2 2 1 2 2 1 3 28 37 3 2 2 2 1 1 3 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 4 2 1 2 2 1 2 3 2 3 6 21 8 3 3 3 1 0 2 7 100 48 6 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 85 t 1H J 22 \| 82 82 t 1H J 22 \| 81 81 t 1H J 21 \| 38 37 s 3H \| 36 35 d 4H J 16	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(C(=O)C(=O)O)c2ncccc2n1Cc1ccc(Cl)cc1	ir: 9 5 1 8 12 6 3 6 15 13 4 19 14 8 11 11 15 15 76 61 27 26 3 20 19 10 4 9 7 3 5 11 7 2 9 11 12 4 2 11 12 6 17 19 18 3 6 13 9 3 5 9 7 5 30 23 6 0 5 10 9 16 16 12 5 1 6 9 9 10 6 8 4 4 9 10 6 10 27 21 20 31 25 13 11 4 10 10 36 9 10 6 2 11 11 6 2 3 7 6 2 16 14 5 1 3 7 5 1 4 8 5 1 5 12 7 4 6 9 6 1 7 17 13 7 8 8 4 2 5 8 7 11 7 7 5 5 8 7 6 5 32 44 5 4 14 18 9 8 19 13 27 13 9 12 67 39 10 9 4 4 8 5 1 4 8 4 0 4 8 4 0 4 8 4 1 4 7 4 1 4 7 3 1 5 7 3 1 5 6 3 1 5 6 2 2 5 6 2 2 6 5 2 2 6 5 2 2 6 5 1 3 6 5 1 3 6 4 1 3 7 4 1 4 7 4 1 4 7 4 1 4 7 4 1 5 7 3 1 4 6 3 1 5 6 3 2 5 6 3 2 5 6 2 2 5 5 2 2 5 5 2 3 6 5 2 3 6 5 2 4 7 5 2 4 6 5 2 4 7 4 3 6 13 11 16 26 30 17 19 7 12 6 3 6 4 51 100 38 9 3 1 5 7 3 2 5 7 3 2 5 6 3 2 5 5 2 2 6 5 2 3 6 5 2 3 6 5 2 3 6 4 1 3 6 4 1 4 7 4 1 4 7 4 1 4 6 4 1 4 6 3 2 4 6 3 2 5 6 3 2 5 6 3 2 5 5 3 2 5 5 2 2 5 5 2 3 5 5 2 3 6 5 2 3 6 4 2 3 6 4 2 3 6 4 1 4 6 4 1; 1HNMR: 87 87 dd 1H J 21 38 \| 78 77 dd 1H J 20 64 \| 74 73 dd 1H J 37 66 \| 73 72 dt 2H J 9 77 \| 71 71 m 2H \| 56 55 t 2H J 9 \| 26 25 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(N2CN(C)CNC2=S)c(C)c1	ir: 2 2 0 5 9 3 2 3 5 2 1 1 1 1 3 1 2 3 2 2 5 8 2 2 3 23 15 17 11 22 9 4 3 2 1 3 3 1 1 2 2 1 1 3 5 1 1 2 2 1 1 3 5 8 4 2 2 2 2 2 1 1 2 7 3 2 2 2 5 1 2 3 6 3 4 3 4 3 3 2 3 7 42 7 1 1 3 21 6 1 2 2 1 1 2 2 4 10 3 10 2 8 3 1 1 1 2 8 4 1 2 1 1 2 5 2 1 2 3 4 3 10 3 2 2 3 3 3 13 8 17 7 5 1 1 1 2 1 1 2 2 3 5 48 16 53 3 3 2 11 2 2 2 30 2 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 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 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 9 10 7 7 15 13 1 3 2 2 2 2 2 2 2 2 2 1 1 1 2 2 1 1 2 3 3 11 100 36 1 2 3 1 1 2 2 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: 79 78 t 1H J 25 \| 71 70 m 2H \| 69 69 m 1H \| 48 48 s 2H \| 44 44 d 2H J 26 \| 25 25 s 3H \| 24 23 s 3H \| 22 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)N1CCC2CNC2C1	ir: 1 3 8 5 9 9 13 14 7 8 26 30 9 5 9 3 3 3 4 2 1 14 2 2 2 3 4 4 1 2 3 2 3 3 3 2 4 7 4 4 4 10 3 3 5 5 7 13 11 7 3 3 5 4 2 3 5 0 5 20 29 17 53 27 15 77 5 10 6 9 7 5 4 18 6 6 7 3 15 9 10 20 3 2 3 4 12 12 5 6 4 4 5 6 7 5 12 59 48 77 21 11 14 13 24 24 38 15 5 11 4 10 17 8 6 6 1 5 32 30 15 11 3 11 9 3 4 10 10 14 11 27 12 5 3 20 16 6 5 2 1 2 2 1 1 2 2 1 2 3 8 16 6 1 1 2 2 1 1 2 1 1 1 1 1 1 2 2 1 1 1 2 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 2 2 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 3 3 3 3 2 2 7 3 6 4 4 6 13 4 29 59 6 9 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 2 2 2 1 5 100 8 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 38 36 m 2H \| 35 35 m 2H \| 34 33 ddd 1H J 57 84 121 \| 32 31 ddd 1H J 26 40 114 \| 30 29 ddd 1H J 27 41 112 \| 21 20 qt 1H J 26 41 \| 20 19 m 1H \| 19 18 dt 1H J 40 55 \| 17 16 m 1H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)NCc1cccnc1	ir: 7 7 9 14 5 3 4 6 4 2 3 3 2 2 2 2 1 3 3 2 15 9 5 2 2 3 6 6 6 14 18 18 9 6 32 50 15 4 8 14 5 3 4 7 8 17 5 5 3 3 3 2 2 5 3 3 7 13 6 2 8 15 30 15 10 5 7 3 2 10 17 2 2 3 2 2 3 4 13 13 4 3 3 2 2 2 25 46 10 3 3 8 4 2 1 3 5 19 22 13 21 15 3 5 3 2 1 2 3 3 2 15 100 6 4 3 1 6 11 7 12 9 15 40 11 3 9 5 3 5 2 5 13 16 21 19 2 5 8 11 10 4 1 3 3 2 3 4 2 1 1 7 5 16 25 3 2 0 41 40 1 2 2 2 2 1 2 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 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 2 2 2 2 1 2 2 1 2 2 2 1 3 3 2 3 5 4 16 31 19 9 4 2 3 2 3 2 3 3 3 3 5 7 6 5 6 19 88 79 16 11 3 4 4 5 4 2 3 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 2 1 2 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 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 87 87 dq 1H J 10 21 \| 85 85 ddd 1H J 13 20 42 \| 78 77 dtt 1H J 8 19 78 \| 73 72 dd 1H J 43 78 \| 43 42 m 1H \| 41 41 dt 2H J 9 70 \| 25 25 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1=CC(NC(=O)OC(C)(C)C)CC=C1Br	ir: 9 5 3 4 6 5 16 11 8 7 2 6 6 4 5 3 2 2 2 1 1 1 1 7 6 3 6 22 19 36 61 12 4 7 4 2 4 2 3 4 2 1 1 1 1 1 1 0 1 2 7 3 2 3 1 0 1 2 1 5 5 5 2 2 3 9 15 8 4 1 1 1 1 1 3 4 3 2 3 1 2 1 1 1 1 1 1 1 1 2 2 2 2 1 1 1 2 2 2 2 1 1 1 1 2 1 1 12 31 5 10 5 5 5 10 10 6 5 2 5 3 4 6 10 7 5 4 3 4 9 14 5 7 2 1 1 1 1 1 2 2 3 2 20 100 8 2 10 27 31 54 22 3 4 2 0 1 2 4 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 2 2 4 4 8 16 21 17 6 2 2 1 1 1 2 1 1 2 2 2 1 2 1 1 1 1 1 1 1 2 5 11 31 46 13 6 4 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 68 68 dt 1H J 9 57 \| 63 62 td 1H J 17 57 \| 58 57 d 1H J 77 \| 47 46 dqd 1H J 18 55 74 \| 38 38 s 3H \| 25 24 dtd 1H J 9 56 157 \| 23 22 dtd 1H J 8 55 158 \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(COS(C)(=O)=O)N=[N+]=[N-]	ir: 3 1 4 4 15 21 18 2 2 2 3 2 1 2 2 1 1 2 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 2 8 4 1 1 1 0 1 1 1 0 1 2 1 6 4 2 2 1 1 2 3 1 1 7 15 13 1 2 1 1 2 1 1 4 39 8 3 5 25 47 39 1 2 2 1 2 2 4 1 1 2 2 5 20 22 11 1 2 1 1 1 1 2 4 3 3 9 13 3 5 2 1 1 1 1 1 0 1 1 1 1 2 3 4 2 6 7 10 6 6 4 2 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 5 10 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 1 1 1 1 1 1 1 1 2 7 4 1 1 2 2 1 1 1 1 1 1 1 3 100 30 9 4 3 5 3 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 41 41 dd 1H J 75 108 \| 39 38 dd 1H J 77 108 \| 35 34 dtdd 1H J 16 60 75 90 \| 31 30 s 2H \| 18 17 m 1H \| 16 15 ddt 1H J 68 117 137 \| 11 10 td 3H J 16 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccc(N2CCNCC2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1	ir: 4 3 1 2 2 2 1 2 2 1 1 5 2 3 1 4 10 2 2 13 8 2 1 1 3 6 2 4 1 2 7 11 6 8 5 6 10 13 2 8 4 12 26 18 15 4 3 4 6 4 9 8 9 14 26 46 100 18 13 9 20 6 2 17 2 3 5 2 8 3 4 2 6 2 2 2 2 5 1 0 1 1 1 2 4 19 3 3 2 6 9 9 5 4 9 7 12 5 0 32 47 11 1 6 41 5 7 3 4 32 19 10 42 15 11 23 9 7 4 2 1 2 2 2 2 10 19 2 2 11 3 2 1 3 7 16 3 23 0 3 3 1 6 10 2 8 15 13 14 5 3 19 38 46 15 11 5 3 2 8 2 1 1 3 2 1 1 1 1 0 1 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 1 1 0 0 1 1 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 2 1 1 1 3 2 1 5 4 17 21 40 52 48 18 12 4 5 6 2 1 2 1 1 0 1 2 2 1 3 8 32 11 3 4 1 44 16 20 3 4 2 2 1 1 0 1 1 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 s 1H \| 79 79 m 2H \| 77 77 q 1H J 13 \| 77 76 m 4H \| 76 76 m 2H \| 76 75 m 1H \| 70 69 m 2H \| 33 33 m 4H \| 30 29 m 4H \| 20 19 p 1H J 33	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(N(C(=O)CN)C(C)C)cc1	ir: 1 1 0 1 2 2 1 1 1 1 1 1 2 1 1 2 2 1 2 1 1 1 1 1 1 1 1 1 3 2 4 3 1 1 1 2 3 1 2 1 1 1 1 2 2 0 1 2 2 4 9 16 7 9 11 15 4 1 2 3 1 1 5 6 10 13 14 5 2 4 2 4 5 11 23 100 16 5 5 2 8 1 1 2 2 1 2 5 4 1 1 2 1 1 2 1 1 1 2 2 1 1 1 1 0 2 6 3 1 2 3 3 3 2 2 1 1 2 3 3 5 2 4 2 1 4 4 14 16 8 6 13 4 2 3 3 5 11 8 2 2 1 1 1 1 2 2 1 2 14 23 8 14 4 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 2 4 5 3 11 17 10 5 1 1 1 1 1 1 1 1 1 2 6 2 8 18 12 10 4 2 3 14 7 3 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 74 73 m 2H \| 69 68 m 2H \| 46 44 hept 1H J 71 \| 44 43 t 2H J 66 \| 38 38 s 2H \| 37 37 t 2H J 66 \| 13 13 d 6H J 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(Cl)c(Cl)c1	ir: 4 3 0 2 4 2 6 2 3 4 1 3 3 1 0 1 1 1 3 2 2 4 3 2 3 3 0 2 1 9 4 4 3 2 2 2 9 2 1 6 9 4 3 3 2 1 2 12 2 0 1 4 8 22 22 31 4 1 1 2 2 3 7 5 1 2 12 14 13 2 3 7 2 0 6 7 5 3 5 12 12 7 3 4 2 3 5 4 7 12 1 7 12 7 10 9 17 6 13 5 14 26 4 1 1 1 4 2 4 9 6 2 3 2 6 2 1 3 3 4 2 7 4 3 4 2 2 2 1 5 4 9 8 6 5 22 9 12 4 2 2 6 26 25 66 2 5 11 26 2 1 2 3 9 3 1 1 0 0 0 3 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 3 1 1 1 2 3 4 5 8 18 20 15 100 33 18 11 3 2 1 2 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 74 74 m 2H \| 73 72 m 5H \| 72 72 m 1H \| 37 35 m 3H \| 35 34 s 2H \| 32 31 dddd 2H J 18 26 57 112 \| 30 29 dddd 1H J 17 27 44 64 \| 29 29 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1cc2ccccc2o1	ir: 1 1 3 2 1 1 1 1 3 4 2 6 12 8 1 3 7 2 15 7 12 29 39 3 9 5 3 4 2 2 1 0 1 2 3 3 1 1 1 1 2 4 4 6 17 4 2 1 6 3 6 1 1 1 1 0 3 21 8 1 2 2 2 0 1 3 6 6 7 6 3 2 1 3 2 9 8 16 37 8 4 2 2 2 2 3 3 1 2 6 5 3 2 1 4 2 2 1 2 2 8 3 3 4 17 89 9 5 6 15 14 2 4 3 3 9 5 2 1 2 1 2 10 8 6 3 3 2 3 4 4 12 2 1 1 1 20 3 1 2 4 2 11 3 1 1 4 40 2 0 2 3 1 1 2 18 1 1 1 1 1 5 0 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 0 16 4 8 24 11 6 7 3 2 0 1 6 2 100 2 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 89 88 dd 1H J 20 88 \| 85 84 d 1H J 21 \| 82 81 d 1H J 88 \| 76 76 m 2H \| 75 75 m 1H \| 73 72 m 2H \| 41 40 m 1H \| 38 37 m 1H \| 36 36 m 1H \| 21 20 m 1H \| 19 18 m 2H \| 17 16 dddd 1H J 45 55 76 111 \| 13 12 d 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FCCOCc1cccc(Br)c1	ir: 3 5 18 6 11 5 6 10 5 7 6 4 3 4 6 4 2 4 5 3 3 4 7 11 4 5 5 3 3 9 30 11 7 5 17 4 4 5 4 3 3 4 4 4 6 11 49 54 7 13 8 4 6 7 5 1 4 8 4 0 11 10 7 18 7 10 13 14 27 7 10 8 18 18 5 6 5 7 6 5 5 5 5 5 33 11 7 4 4 5 5 6 5 9 13 38 19 7 8 4 7 4 2 3 6 5 2 4 6 9 6 5 8 5 3 5 6 9 3 6 35 9 8 15 9 12 19 12 7 9 4 5 5 3 3 5 5 5 8 62 58 4 2 5 5 4 4 6 5 3 3 29 7 8 14 5 4 3 4 7 5 3 4 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 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 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 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 4 4 3 5 6 4 4 5 5 5 4 4 5 8 9 14 17 94 100 60 22 8 10 7 10 8 2 5 5 4 3 4 5 3 3 4 5 3 3 4 5 3 3 4 5 3 3 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 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 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 5 4 2 4 5; 1HNMR: 75 74 tt 1H J 9 22 \| 74 73 ddd 1H J 16 22 77 \| 73 72 m 1H \| 73 72 t 1H J 77 \| 45 45 t 2H J 8 \| 44 44 t 1H J 32 \| 43 43 t 1H J 32 \| 38 38 t 1H J 31 \| 38 37 t 1H J 31	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1ccc(Nc2c(C(=O)NOCC3CC3)c3n(c(=O)c2F)CCC3)c(F)c1	ir: 0 1 1 2 3 2 3 2 0 1 1 1 2 2 2 2 3 12 3 2 4 2 10 6 6 8 14 5 5 7 14 3 3 5 5 5 5 3 5 15 17 11 8 5 2 4 3 4 7 7 14 29 11 3 5 9 16 17 14 11 7 5 2 1 2 3 2 7 5 4 2 0 1 1 1 1 3 2 1 2 2 5 3 1 3 2 5 2 2 2 2 1 2 11 1 2 1 1 7 1 2 4 1 2 3 3 3 2 3 10 4 4 3 2 1 3 7 8 3 1 2 3 2 1 7 39 3 6 9 1 2 1 1 1 1 1 3 1 12 4 1 4 3 11 2 3 7 2 7 14 8 6 6 1 9 1 2 12 10 4 4 19 5 100 5 1 1 1 1 0 1 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 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 2 2 2 2 3 1 2 3 5 4 7 13 2 4 38 6 4 6 7 3 2 2 1 1 1 0 0 1 1 1 1 2 4 3 2 4 4 10 13 39 38 13 5 8 3 2 2 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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: 100 100 s 1H \| 81 81 t 1H J 40 \| 74 74 dd 1H J 48 88 \| 71 70 dd 1H J 23 89 \| 69 69 dd 1H J 22 121 \| 42 41 dd 2H J 42 52 \| 36 35 d 2H J 48 \| 30 30 m 2H \| 25 25 s 2H \| 19 18 ddd 2H J 49 55 95 \| 15 14 pt 1H J 48 62 \| 7 6 m 2H \| 4 3 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1nn(-c2cccc3cccnc23)cc(OC)c1=O	ir: 9 6 2 3 3 3 12 18 3 1 2 7 3 2 2 4 1 1 2 1 3 1 1 1 2 1 2 2 2 2 1 2 2 1 5 2 3 3 2 4 3 1 1 4 5 100 10 6 3 5 10 1 3 7 2 0 7 3 1 1 2 4 11 1 3 4 3 5 2 3 2 1 6 6 3 5 4 3 2 2 2 2 1 1 2 2 1 19 3 1 2 2 1 4 4 2 2 2 2 2 1 1 1 1 1 1 1 3 6 2 1 3 2 3 2 3 5 4 2 2 8 2 6 8 3 1 1 2 2 1 1 2 3 4 7 4 3 1 3 4 13 2 1 3 2 6 14 3 8 4 2 3 3 18 2 2 3 2 5 9 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 2 1 2 2 2 4 4 6 14 30 5 12 7 3 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 87 dd 1H J 17 39 \| 81 81 dt 1H J 17 85 \| 80 79 s 1H \| 77 77 dt 1H J 13 85 \| 77 76 dd 1H J 13 77 \| 76 75 m 1H \| 75 75 dd 1H J 39 84 \| 38 38 d 6H J 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)nc(C(C)C)nc2s1	ir: 3 3 7 1 3 3 1 4 1 3 4 8 1 2 5 3 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 3 2 2 1 1 1 1 1 3 22 67 3 2 4 2 1 1 2 1 2 1 1 1 1 1 1 2 2 2 2 1 2 2 1 1 1 1 1 1 1 1 3 2 2 4 1 5 2 1 2 1 1 14 2 1 1 1 2 1 1 1 1 1 2 3 2 3 3 1 1 1 2 2 3 2 3 2 2 3 10 4 3 4 3 3 1 3 3 5 8 6 10 6 3 2 3 4 3 6 9 9 2 3 2 2 4 3 1 0 2 3 45 100 11 1 1 1 1 2 17 28 3 0 1 1 1 5 1 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 2 3 2 2 2 2 2 3 3 8 8 1 1 3 5 3 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 69 69 t 1H J 9 \| 39 38 m 4H \| 37 36 m 4H \| 34 32 hept 1H J 64 \| 29 28 qd 2H J 8 68 \| 15 14 s 7H \| 13 13 m 10H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CON(C)C(=O)c1ccccc1Nc1cc(Cl)ncc1C#N	ir: 2 2 1 2 2 2 2 3 2 2 2 2 3 3 2 2 2 2 1 2 2 2 4 3 4 2 4 3 3 3 2 2 3 2 3 4 3 2 2 3 3 6 7 2 10 3 3 2 1 1 1 1 1 1 2 2 2 2 1 1 2 2 2 1 3 3 2 4 3 3 2 2 2 1 1 2 2 1 1 1 1 1 2 2 2 1 2 1 1 1 1 1 1 1 2 2 1 1 2 2 2 1 3 2 1 2 3 2 1 1 2 1 1 1 2 2 1 2 4 3 2 1 2 1 1 4 2 2 2 2 2 6 11 2 2 2 4 2 3 4 1 2 2 2 2 3 8 1 2 4 4 2 2 6 2 1 2 2 2 0 8 5 100 5 2 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 8 6 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 4 4 6 10 7 4 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 86 s 1H \| 82 82 s 1H \| 79 78 m 1H \| 74 73 m 4H \| 70 69 s 1H \| 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.
O=C(Nc1ccncc1)c1cccn(C2CCc3c(Cl)cccc32)c1=O	ir: 2 2 4 2 1 4 3 5 5 4 5 11 6 3 6 2 2 5 4 3 2 3 3 1 1 13 4 2 2 3 3 3 11 4 3 3 5 4 4 2 2 4 3 4 8 14 35 100 18 6 3 7 2 4 3 5 14 27 5 0 2 5 5 7 7 3 3 3 3 5 5 8 8 20 4 2 3 4 3 1 3 3 2 2 5 3 2 3 4 9 4 4 3 3 5 3 5 3 1 3 3 2 4 7 4 7 3 12 9 4 2 24 4 2 0 4 3 3 1 4 13 4 2 3 4 8 4 6 4 3 2 2 4 5 3 3 3 4 8 17 9 4 6 6 3 4 23 10 4 6 8 21 8 7 5 16 4 2 11 8 7 25 59 28 4 0 2 5 2 0 2 3 2 1 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 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 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 2 3 2 1 2 3 3 2 3 3 2 2 3 4 3 2 7 3 22 36 16 18 18 4 5 4 2 3 3 3 2 1 2 4 2 1 3 3 2 4 7 3 4 6 27 12 5 8 5 6 4 2 2 2 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 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 84 83 m 2H \| 83 83 dd 1H J 13 79 \| 77 76 dt 1H J 16 77 \| 76 75 m 2H \| 73 72 m 3H \| 69 69 m 1H \| 52 51 m 1H \| 31 30 ddd 1H J 55 73 161 \| 30 29 ddd 1H J 56 75 163 \| 26 25 ddt 1H J 57 75 124 \| 22 22 ddt 1H J 55 73 123	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1ccc2[nH]cc(SC3CCN(C)CC3)c2c1	ir: 14 16 6 5 4 4 2 2 3 1 1 1 3 1 1 1 2 8 1 2 3 6 54 31 5 7 17 3 1 1 1 1 1 4 4 7 1 2 3 2 1 1 1 1 1 1 1 0 1 1 1 3 10 39 10 7 2 2 1 0 2 2 2 1 3 8 8 21 23 7 3 2 3 4 3 1 3 3 4 6 11 21 4 3 2 1 2 2 3 9 4 5 10 4 4 3 5 14 10 27 18 6 5 7 4 11 28 18 10 3 0 2 4 3 5 3 5 2 2 3 4 3 1 3 1 5 3 3 5 6 5 2 4 4 15 1 1 1 1 2 10 7 2 8 4 1 1 1 1 3 4 11 4 3 90 7 0 1 1 0 0 1 1 3 1 1 1 0 0 1 1 0 1 1 0 1 1 1 1 0 1 1 0 0 0 0 0 0 1 1 1 0 1 0 0 0 0 1 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 1 0 0 0 0 0 0 1 0 0 1 0 1 0 0 0 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 3 2 1 2 1 2 2 1 1 3 4 4 4 7 5 7 8 27 20 18 7 8 10 4 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 100 5 3 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 0 1 0 0 0 1 0 1 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 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 97 96 d 1H J 66 \| 77 77 m 1H \| 74 73 dd 2H J 69 146 \| 71 70 m 1H \| 34 33 p 1H J 43 \| 31 30 dpd 1H J 57 66 76 \| 28 27 ddd 2H J 49 77 119 \| 27 26 ddd 2H J 49 77 119 \| 23 23 s 2H \| 21 20 m 2H \| 19 18 m 2H \| 13 13 d 6H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(-c2ccccn2)nc2cccc(F)c2c1Cl	ir: 1 2 3 4 5 8 5 2 4 5 2 6 6 1 1 2 1 2 2 2 1 1 1 2 1 3 3 9 6 2 6 19 48 22 10 6 2 2 8 9 48 6 3 3 18 44 29 4 7 3 3 0 11 31 100 35 4 4 3 1 2 2 2 6 10 4 2 8 4 4 16 4 3 5 5 3 4 11 5 21 7 10 9 3 2 1 2 2 1 2 2 2 2 5 6 4 1 3 27 2 2 3 22 2 3 2 3 5 3 1 1 2 2 2 20 15 1 4 7 5 5 6 6 3 3 3 4 6 14 26 4 4 4 3 6 16 22 6 7 56 6 30 3 7 13 10 3 3 8 12 4 8 26 8 19 5 6 31 18 31 2 1 41 3 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 2 2 2 2 2 2 4 3 14 11 8 48 55 59 24 8 3 4 3 2 1 5 4 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 dd 1H J 17 41 \| 81 81 dd 1H J 13 83 \| 78 78 dd 1H J 12 73 \| 77 76 ddd 1H J 16 71 82 \| 76 75 ddd 1H J 51 73 82 \| 73 72 ddd 1H J 11 82 102 \| 72 71 ddd 1H J 14 40 73 \| 25 25 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOP(=O)(OCC)C(F)(CC)C(=O)O	ir: 3 2 1 3 2 2 1 1 1 2 3 3 5 6 11 17 11 15 9 6 100 23 9 7 10 5 2 4 2 0 1 1 1 0 1 2 6 2 3 3 6 0 1 2 1 0 2 2 1 0 0 1 1 0 0 1 1 1 2 1 1 1 1 1 1 1 6 8 3 0 2 3 2 6 10 6 14 20 15 12 22 4 5 5 8 15 4 2 2 2 1 2 2 2 2 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 2 2 1 9 9 3 3 2 0 1 1 2 1 1 1 0 0 2 2 1 1 2 1 0 0 1 1 1 1 2 3 6 29 2 3 2 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 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 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 2 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 3 6 2 1 1 1 1 1 0 1 1 1 0 49 65 24 3 1 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 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; 1HNMR: 42 41 m 5H \| 26 24 ddq 1H J 90 113 150 \| 23 22 m 1H \| 13 13 td 6H J 7 66 \| 11 10 td 3H J 37 90	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cnc2[nH]cnc(N3CCC(N)CC3)c1-2	ir: 4 4 2 1 1 1 2 1 1 2 1 1 4 4 7 10 6 4 1 1 1 1 1 2 1 1 1 1 2 6 1 4 4 3 1 0 0 3 4 12 28 6 1 2 2 2 2 4 5 3 6 1 3 6 53 33 25 16 5 10 14 34 18 3 4 2 9 2 1 2 3 9 5 7 7 10 7 2 1 4 4 10 4 10 1 1 1 1 2 7 20 14 2 2 2 2 3 4 5 7 4 3 1 2 5 5 15 13 1 1 2 1 2 5 6 4 3 4 4 6 16 6 7 10 29 71 15 11 18 16 6 9 6 15 20 30 37 14 4 1 1 3 2 2 1 3 2 3 8 5 4 2 22 54 14 3 1 1 1 1 1 10 11 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 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 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 2 4 2 2 1 2 1 3 1 2 4 7 4 1 1 3 1 3 5 3 1 2 2 1 1 1 3 12 24 29 10 10 5 5 5 9 68 100 36 24 15 35 30 6 3 6 8 4 1 2 1 1 0 0 0 0 0 0 0 1 0 0 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 93 92 d 1H J 71 \| 85 84 d 1H J 73 \| 76 75 q 1H J 15 \| 37 36 ddd 2H J 56 81 119 \| 36 35 ddd 2H J 55 82 119 \| 31 30 tp 1H J 40 55 \| 23 23 d 3H J 16 \| 21 20 dddd 2H J 39 56 82 137 \| 18 17 dddd 2H J 40 57 82 137 \| 15 15 d 2H J 56	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(C(=O)O[C@H]1CN2CCC1CC2)c1cccc(F)c1	ir: 23 10 40 13 5 3 12 6 5 7 6 6 2 3 2 2 2 7 2 1 1 10 0 5 8 15 15 38 33 31 62 39 57 19 9 9 21 20 15 8 6 3 2 5 2 13 59 51 12 6 4 9 2 4 2 0 2 2 2 2 3 14 2 1 2 1 1 4 8 3 6 15 2 4 10 3 3 2 8 11 10 45 15 4 1 2 10 24 9 1 2 2 2 3 4 8 4 27 24 14 4 3 4 5 15 3 3 7 9 10 9 8 5 2 10 11 12 13 34 24 86 17 19 14 24 18 10 19 7 7 14 7 3 2 2 1 2 3 6 26 63 11 9 19 100 64 14 5 7 56 9 3 13 0 9 5 2 2 2 3 29 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 2 2 3 6 4 4 5 7 6 10 9 13 59 15 25 75 25 6 3 7 3 3 4 2 1 3 2 4 2 1 1 1 1 1 2 2 2 4 7 28 88 42 6 3 1 1 0 1 1 1 0 1 1 0 1 0 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 m 2H \| 72 71 m 1H \| 71 70 m 1H \| 60 59 d 1H J 81 \| 52 51 dd 1H J 8 81 \| 49 49 ddd 1H J 8 36 59 \| 31 30 dd 1H J 9 117 \| 30 29 ddd 2H J 46 72 117 \| 29 28 m 3H \| 21 20 dp 1H J 49 59 \| 19 18 ddt 2H J 48 71 141 \| 17 16 ddt 2H J 48 73 143 \| 14 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCCC(O)n1c(=O)c2c(ncn2C)n(C)c1=O	ir: 0 5 5 4 7 5 4 8 12 3 9 4 2 3 3 4 6 5 5 3 3 1 1 2 7 4 3 1 1 2 2 2 2 3 2 9 9 9 24 21 15 13 10 6 4 3 3 3 2 3 3 3 6 7 4 7 2 1 4 3 2 1 5 4 12 7 4 6 5 6 6 4 3 9 5 3 4 2 4 6 10 5 3 5 3 3 5 20 19 9 5 3 2 4 4 8 26 10 5 3 4 3 5 6 6 16 26 23 37 44 18 40 10 23 31 24 16 25 2 100 27 31 8 21 15 12 12 13 5 5 10 7 6 3 3 6 3 2 2 2 2 1 1 2 3 5 31 14 5 6 16 31 5 1 1 2 1 0 1 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 4 14 6 9 34 17 27 15 12 19 7 15 27 19 31 67 70 23 28 19 23 7 4 2 2 5 6 4 2 1 0 2 2 0 1 1 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 75 75 d 1H J 9 \| 59 58 td 1H J 59 69 \| 56 55 d 1H J 60 \| 40 40 d 3H J 7 \| 37 37 s 2H \| 21 20 dtd 1H J 70 87 134 \| 18 17 dtd 1H J 69 87 134 \| 15 14 m 1H \| 14 12 m 18H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCC/C=C\[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1O	ir: 7 6 5 5 5 5 4 4 4 5 5 5 4 5 5 5 5 4 4 4 4 5 5 4 4 6 5 4 5 5 4 4 5 5 5 5 6 6 5 6 5 5 5 4 4 5 4 4 4 5 4 4 5 5 5 5 5 5 4 5 5 5 5 5 5 6 5 5 5 5 5 5 4 5 6 5 5 5 5 4 5 5 5 4 5 5 4 5 11 15 7 5 4 5 4 5 4 4 4 4 5 4 5 5 5 6 7 5 6 5 5 4 5 4 5 5 5 5 5 5 5 5 4 5 6 5 5 4 4 4 4 4 4 4 4 4 4 4 4 5 7 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 5 5 4 4 4 4 4 4 5 5 4 4 5 4 4 4 5 5 4 4 5 5 4 5 5 5 4 5 9 8 7 7 7 5 3 5 8 4 0 15 100 28 12 4 2 5 6 4 3 5 5 4 3 5 5 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 5 5 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 56 56 ddq 1H J 16 82 98 \| 55 55 m 1H \| 41 40 tddt 1H J 9 20 26 79 \| 38 37 m 3H \| 36 35 dd 1H J 29 108 \| 35 34 dddd 1H J 14 26 50 87 \| 34 33 d 3H J 15 \| 21 20 m 2H \| 20 19 m 1H \| 14 13 dtdd 2H J 8 62 69 80 \| 14 12 m 8H \| 11 10 d 3H J 78 \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)c1ccc(-c2nc(NCCc3ccccc3)c3ccccc3n2)cc1	ir: 1 2 2 4 10 2 13 6 6 5 5 1 2 1 2 2 6 3 5 2 2 1 2 21 7 6 2 1 1 3 4 1 2 1 1 0 1 1 3 2 6 2 2 11 7 3 2 5 1 2 2 11 100 2 3 4 3 7 2 2 2 1 5 6 2 1 1 2 2 6 3 5 2 2 1 1 1 2 2 1 1 1 1 2 1 7 2 1 3 4 1 2 2 2 2 3 1 2 1 1 1 1 1 1 0 1 1 1 0 0 1 1 1 2 4 1 4 4 4 1 4 3 5 5 11 8 6 3 1 1 1 1 2 5 14 5 1 2 4 13 22 2 8 23 50 9 5 5 2 6 18 11 11 46 40 4 5 37 6 1 0 0 1 2 3 34 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 1 1 1 0 0 1 0 0 0 0 0 1 1 1 1 1 1 1 1 1 2 6 5 4 20 79 15 7 4 2 3 3 3 1 1 1 1 0 1 1 1 1 2 1 4 2 2 1 20 0 10 27 5 4 2 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 dt 1H J 8 95 \| 80 79 m 2H \| 78 77 m 2H \| 75 75 ddd 1H J 17 65 97 \| 73 72 m 3H \| 73 73 s 3H \| 69 68 t 1H J 47 \| 68 68 m 2H \| 36 36 td 2H J 47 77 \| 29 29 m 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C)Cc1ccc(N(CC(C)C)CC(C)C)c(N)c1	ir: 1 5 3 11 1 8 4 4 7 5 4 7 3 2 7 1 1 1 4 2 2 3 5 5 1 1 1 0 1 2 1 1 0 1 1 0 1 1 2 1 0 1 1 1 1 3 1 1 1 1 2 1 1 2 2 1 18 2 1 1 1 2 2 4 1 16 4 11 6 11 1 1 7 2 2 2 4 6 7 2 4 2 1 1 2 7 5 2 2 1 4 2 34 5 1 2 2 2 1 2 1 1 0 0 1 1 1 4 4 6 4 1 4 6 3 2 4 3 4 3 3 5 2 2 2 1 0 2 2 1 2 1 1 1 1 2 2 0 0 1 2 1 1 4 69 6 3 1 4 55 2 2 9 6 1 4 66 19 2 1 1 1 1 22 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 2 1 1 1 1 1 3 2 2 2 2 3 3 4 4 21 6 4 8 14 6 3 0 1 1 0 0 0 1 0 0 0 1 0 0 1 2 7 1 1 1 1 0 1 1 1 1 1 6 100 5 4 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 68 68 ddt 1H J 8 20 91 \| 65 65 m 2H \| 45 44 s 2H \| 42 41 m 2H \| 32 32 d 4H J 54 \| 31 30 m 1H \| 28 27 m 2H \| 21 19 dtt 2H J 54 70 141 \| 13 12 t 3H J 63 \| 12 11 d 3H J 75 \| 9 9 d 12H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1	ir: 2 2 3 2 0 1 2 2 2 3 4 4 1 18 11 5 1 2 5 14 22 70 69 11 4 3 3 3 3 7 4 2 2 3 4 30 3 6 4 1 100 5 4 2 2 1 2 7 8 2 2 2 2 2 2 21 5 3 2 2 3 4 3 2 2 2 1 2 1 5 4 2 2 3 11 3 5 4 12 13 4 6 4 2 2 3 6 12 5 2 4 6 1 1 1 1 1 1 3 6 1 1 1 1 1 1 1 1 1 2 1 1 1 2 4 16 4 3 16 20 7 4 4 3 1 7 3 1 0 2 3 1 34 14 11 4 1 6 6 3 3 3 82 20 5 4 1 2 3 10 2 19 4 6 62 4 11 0 1 7 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 3 5 4 13 35 21 7 3 2 2 2 2 1 17 38 6 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 88 s 1H \| 79 78 m 4H \| 77 77 dd 2H J 31 50 \| 74 73 dq 2H J 10 74 \| 57 57 t 2H J 9	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)c1ccc(C2CCNCC2)cc1	ir: 0 0 0 0 0 1 0 0 1 0 0 1 1 1 1 1 0 8 14 8 1 0 0 1 1 0 0 1 0 0 0 1 0 4 6 1 1 0 0 1 1 0 0 10 10 4 1 1 1 0 1 4 2 30 34 4 4 2 2 2 3 1 0 0 1 0 1 1 1 1 1 1 1 10 2 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 1 1 1 1 1 1 10 15 4 1 1 1 1 1 1 1 1 1 1 3 46 3 7 28 37 3 1 1 2 1 1 1 6 3 2 4 12 5 3 1 1 1 3 1 1 1 0 0 0 0 0 1 0 0 0 1 1 11 1 1 1 1 1 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 2 1 1 3 3 2 7 3 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 3 4 100 4 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: 76 76 dq 2H J 13 73 \| 73 72 m 2H \| 31 31 dddd 2H J 27 38 55 134 \| 28 28 dddd 2H J 27 38 53 134 \| 28 27 m 1H \| 24 23 p 1H J 38 \| 22 21 dtd 2H J 27 57 139 \| 17 16 dtd 2H J 27 57 139	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC1OC(C(=O)OC)=CC2=C1C(=O)c1ccccc1C2=O	ir: 4 2 3 4 3 3 3 3 5 6 4 2 2 2 2 3 2 2 2 3 2 2 3 2 2 2 2 3 3 2 2 2 3 2 7 9 7 3 100 0 2 4 4 2 2 3 2 2 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 8 4 3 3 2 3 4 2 2 2 3 3 2 2 2 2 2 2 4 5 2 2 2 2 2 3 3 2 2 2 2 2 2 2 3 3 3 3 3 2 2 2 3 3 2 3 3 7 9 7 5 3 6 4 3 3 3 2 2 2 2 2 2 2 2 3 3 2 2 4 3 1 4 5 12 60 7 7 3 8 3 1 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 4 5 4 14 8 5 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 81 81 m 1H \| 80 80 m 1H \| 78 77 m 2H \| 73 73 d 1H J 9 \| 56 55 td 1H J 10 53 \| 39 38 s 2H \| 22 21 dtd 1H J 53 70 139 \| 20 19 dtd 1H J 53 69 138 \| 16 13 m 2H \| 10 9 t 3H J 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cc1c[nH]c2cc(Cl)c(Cl)cc12	ir: 8 12 6 10 1 2 5 5 8 5 5 5 2 2 2 2 1 2 2 4 17 16 8 10 9 21 70 82 14 3 2 3 4 4 4 3 3 2 2 2 1 1 2 2 2 2 1 1 2 2 1 2 2 2 1 0 2 3 2 0 2 10 72 43 33 24 37 44 5 3 2 3 5 5 6 5 3 2 1 3 11 8 3 1 3 4 1 1 1 2 4 36 6 5 2 8 4 11 14 6 26 12 14 3 4 4 5 17 43 13 1 23 26 7 15 8 6 9 17 10 13 2 4 4 7 3 9 3 4 11 4 3 3 3 12 12 6 7 5 5 5 3 80 14 30 11 4 2 2 2 1 2 4 14 23 5 2 1 1 2 2 1 4 2 1 0 1 1 3 1 2 2 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 3 3 3 1 1 3 3 4 3 4 3 3 4 2 10 18 29 13 23 76 7 22 23 26 2 2 8 2 2 2 3 1 2 2 1 1 2 1 2 1 2 3 2 1 19 100 34 5 1 1 2 1 1 1 1 1 1 1 1 1 3 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1; 1HNMR: 91 91 d 1H J 70 \| 77 76 s 1H \| 73 73 s 1H \| 73 72 m 1H \| 42 41 q 2H J 66 \| 39 39 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.
N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O	ir: 6 3 4 2 4 3 4 8 11 8 6 5 16 13 13 8 9 9 10 70 93 77 18 7 7 6 8 6 4 3 4 3 3 7 16 12 6 14 6 4 3 3 3 5 4 3 2 2 3 2 3 1 2 3 7 8 18 50 25 5 8 12 36 10 31 7 6 3 3 3 5 12 3 5 6 9 8 42 69 28 8 8 3 10 13 12 7 8 7 6 5 4 3 8 4 17 4 4 11 4 4 7 5 7 7 8 6 17 6 6 4 4 5 2 3 3 4 4 5 6 6 5 6 7 5 8 10 9 12 23 27 11 3 10 7 12 7 26 24 2 3 5 17 86 13 12 46 100 9 0 1 3 2 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 2 1 2 2 4 3 2 3 4 2 3 5 6 3 3 15 4 5 2 1 1 2 2 2 2 4 7 78 50 4 11 9 21 20 9 6 5 4 3 3 26 12 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 49 49 d 2H J 66 \| 46 45 ddt 1H J 17 40 57 \| 44 43 m 1H \| 38 37 p 1H J 62 \| 37 36 dddd 1H J 14 24 57 118 \| 36 35 m 2H \| 35 35 m 1H \| 24 23 m 2H \| 23 22 dt 1H J 91 159 \| 22 21 m 1H \| 21 20 m 3H \| 20 19 m 3H \| 19 17 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1nc(Nc2ccc(C(F)(F)F)cc2)nc(OCc2ccccc2C(F)(F)F)n1	ir: 1 1 0 0 1 1 3 2 1 1 1 1 1 1 1 2 6 1 1 1 1 1 1 2 2 2 2 6 5 3 3 2 1 1 3 1 1 0 1 1 0 1 13 3 1 0 0 1 1 0 1 2 3 2 4 37 8 11 29 4 13 9 4 1 2 2 1 1 1 2 1 1 2 3 1 2 3 2 1 1 1 1 0 0 1 1 1 1 1 1 1 3 1 1 1 2 1 1 7 20 6 2 0 2 31 2 1 2 2 3 5 3 11 4 1 1 1 1 2 2 2 1 1 3 2 2 1 2 2 2 1 1 0 0 1 1 1 8 2 3 3 1 3 6 5 7 100 9 30 5 5 10 27 14 18 2 1 0 0 1 1 0 0 2 3 3 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 1 1 1 1 1 1 2 3 4 3 37 8 3 3 2 1 1 0 0 1 1 0 0 1 2 1 0 1 1 0 1 1 1 1 2 13 21 11 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 91 s 1H \| 77 76 dq 2H J 14 73 \| 76 75 dp 1H J 13 107 \| 74 74 m 2H \| 73 73 m 2H \| 72 72 td 1H J 13 70 \| 54 53 d 2H J 8 \| 44 43 q 2H J 71 \| 14 14 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cccc(C(C)=O)n1	ir: 2 1 1 4 7 3 1 1 1 2 1 2 1 1 1 1 1 1 1 1 3 4 2 1 3 16 3 4 1 2 2 1 1 1 3 1 1 1 1 1 1 2 2 0 1 5 7 100 13 0 1 4 2 1 2 3 1 0 1 2 1 0 1 3 3 5 2 3 3 7 2 2 2 2 3 16 11 3 2 2 3 4 7 3 1 1 2 2 1 1 2 1 1 1 2 4 1 1 2 1 1 1 2 1 1 1 2 4 2 1 3 2 1 2 4 3 2 4 4 2 1 2 3 3 1 11 12 9 2 2 2 1 1 2 3 4 10 45 9 3 2 2 1 1 1 1 1 2 8 2 2 1 1 2 3 30 7 3 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 1 1 2 1 1 2 2 2 2 2 6 4 3 3 7 24 6 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 76 m 2H \| 68 67 dd 1H J 20 71 \| 38 37 q 2H J 67 \| 26 26 s 3H \| 14 14 t 3H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCCCC1OCCO1	ir: 8 7 4 3 1 1 2 3 3 5 4 7 3 12 10 18 5 4 45 21 14 5 4 4 2 3 1 2 2 2 1 1 1 1 1 2 1 2 3 3 6 3 2 3 5 1 2 1 2 4 3 7 3 2 2 6 3 7 13 14 24 8 9 4 8 5 5 7 4 6 6 1 13 6 11 43 34 33 45 33 36 11 12 4 29 24 52 76 100 56 64 33 22 24 15 8 5 6 6 4 1 2 3 4 4 4 5 5 14 10 12 9 3 2 7 3 3 4 9 6 10 6 6 6 3 6 4 2 3 2 2 1 0 1 2 1 1 2 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 2 1 1 2 3 4 8 5 11 5 3 7 3 6 3 9 13 10 12 8 3 3 2 4 3 5 5 31 30 26 14 7 3 2 1 2 3 1 2 2 2 2 1 2 2 3 2 2 3 1 1 2 1 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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: 49 48 t 1H J 32 \| 40 39 m 2H \| 38 38 m 2H \| 36 36 q 2H J 56 \| 27 27 t 1H J 59 \| 17 16 tdd 2H J 8 32 85 \| 16 14 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCNS(=O)(=O)Cc1cccc(Nc2cc(-c3ccccc3OC)ncn2)c1	ir: 8 6 10 4 9 9 8 7 8 4 4 6 6 2 7 5 7 3 2 3 3 6 3 6 7 4 3 2 4 2 2 5 5 1 4 13 13 66 31 13 4 13 17 13 15 7 6 12 9 4 10 35 15 6 7 1 6 22 3 3 2 4 5 6 14 10 16 19 15 12 21 20 6 13 17 7 5 4 3 2 2 3 3 4 9 19 20 14 17 33 10 7 5 2 4 3 6 7 9 4 3 3 5 9 9 8 8 14 41 72 60 30 20 9 3 6 0 5 6 5 3 4 3 5 7 5 7 4 1 3 3 1 3 4 8 5 7 10 19 2 3 4 3 3 6 1 2 65 40 14 2 3 4 4 9 14 50 7 18 5 4 32 57 36 5 7 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 1 1 2 2 1 2 1 2 3 5 2 1 1 2 4 5 4 7 9 17 100 42 9 5 4 3 2 2 2 4 1 2 2 2 1 1 2 2 3 8 17 99 83 60 32 55 24 14 17 6 2 2 2 1 1 2 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 91 91 s 1H \| 86 85 d 1H J 14 \| 77 77 dd 1H J 13 86 \| 75 74 m 2H \| 74 73 t 1H J 78 \| 72 72 m 1H \| 72 71 m 2H \| 71 70 d 1H J 14 \| 69 69 dd 1H J 12 77 \| 50 50 t 1H J 62 \| 44 44 t 2H J 8 \| 39 39 s 2H \| 29 29 q 2H J 64 \| 17 16 h 2H J 67 \| 10 9 t 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1[nH]c2cc(OC)ccc2c1C=O	ir: 4 5 8 8 5 3 7 12 13 15 13 12 18 19 6 10 7 7 31 18 17 8 9 5 8 25 80 19 8 4 7 9 7 5 3 17 26 4 3 16 16 2 1 1 1 2 1 0 2 5 5 2 2 17 58 40 8 6 3 4 2 0 3 3 11 23 23 14 12 3 7 7 11 5 2 7 12 11 26 19 5 3 3 2 1 1 2 2 0 1 2 3 0 2 14 22 100 8 2 2 3 2 0 1 2 3 4 5 4 4 5 25 12 11 34 14 12 6 5 6 4 3 7 5 3 1 3 3 6 2 2 1 1 1 1 3 2 7 61 4 1 3 2 4 66 7 3 3 4 2 21 83 10 6 5 3 12 2 1 2 3 17 3 11 11 2 1 2 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 1 1 1 2 2 1 2 4 3 1 12 8 11 64 87 1 3 2 1 2 1 3 2 2 1 2 2 1 2 2 2 1 3 3 3 2 5 6 18 39 47 22 9 1 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 82 d 1H J 80 \| 72 72 d 1H J 24 \| 71 70 dd 1H J 22 81 \| 39 39 s 3H \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CN(c2ccc(C#N)c3ncccc23)[C@@H](C)CN1	ir: 2 3 4 3 7 6 11 10 3 4 4 4 3 8 7 8 4 8 5 4 7 7 6 2 2 3 3 2 2 4 4 4 2 6 3 3 6 4 7 5 3 24 20 2 6 12 14 46 14 2 4 11 16 100 18 0 13 11 5 5 5 20 6 3 11 8 6 14 3 6 6 3 6 5 3 8 31 9 3 6 12 5 3 7 10 8 10 10 13 8 10 7 6 3 3 5 10 9 6 8 5 3 3 5 11 18 11 6 9 10 17 20 73 10 5 7 8 24 3 15 13 7 7 5 5 4 5 15 10 8 17 15 9 4 2 4 5 3 3 2 4 11 69 11 6 4 2 5 17 7 10 6 3 5 7 61 4 2 3 4 32 8 3 14 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 38 1 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 1 2 2 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 2 2 1 2 2 2 1 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 2 2 2 3 4 2 2 4 3 3 3 3 3 2 4 4 6 12 13 4 6 18 50 8 5 3 4 4 3 2 3 3 2 2 5 4 4 8 8 14 50 49 19 8 9 2 3 2 1 1 2 2 2 1 2 2 1 2 3 2 1 2 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 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3; 1HNMR: 89 89 dd 1H J 21 41 \| 85 84 dd 1H J 20 81 \| 79 79 d 1H J 86 \| 75 75 dd 1H J 40 81 \| 72 71 d 1H J 85 \| 38 37 dd 1H J 14 115 \| 37 36 qdd 1H J 22 49 71 \| 35 34 dd 1H J 44 115 \| 32 31 ddd 1H J 22 44 115 \| 30 30 m 1H \| 30 29 dt 1H J 47 115 \| 22 21 dt 1H J 44 66 \| 13 13 d 3H J 71 \| 12 11 d 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2nccc(Oc3ccc(NC(=O)OC4CCOCC4)c(C)c3C)c2cc1OC	ir: 13 11 5 10 2 3 2 3 1 3 5 8 4 3 9 16 15 22 8 3 7 4 3 3 8 6 6 10 15 25 13 17 19 47 18 3 17 8 8 5 5 4 5 3 3 2 2 2 3 5 35 4 7 13 37 46 20 10 3 2 10 5 5 2 6 6 9 37 85 41 6 5 12 28 36 15 8 7 10 10 4 2 4 2 1 0 2 2 0 1 7 5 4 7 4 4 1 26 8 2 0 3 6 17 6 6 6 6 4 5 17 43 15 8 7 7 16 5 5 5 5 2 3 2 7 7 7 6 12 5 8 2 2 4 3 1 11 20 8 8 9 4 5 4 2 8 17 16 17 22 57 21 8 6 25 24 8 6 18 61 17 8 3 6 2 1 3 9 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 2 1 1 2 3 2 2 3 4 2 4 2 5 3 6 8 18 17 16 23 82 90 24 5 6 2 3 2 2 2 1 2 2 1 2 1 3 3 3 4 2 3 15 14 44 100 15 4 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 1 1 1 1 1 1 1; 1HNMR: 86 85 d 1H J 49 \| 77 76 s 1H \| 74 73 m 2H \| 70 69 d 1H J 49 \| 68 68 d 2H J 87 \| 51 50 p 1H J 51 \| 39 39 s 2H \| 39 38 s 2H \| 38 37 ddd 2H J 38 65 110 \| 37 36 ddd 2H J 38 65 112 \| 22 22 s 2H \| 21 20 m 6H \| 19 18 dddd 2H J 38 50 66 143	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2ncc3c(N)c(C#N)sc3c2cc1OC	ir: 87 59 59 41 31 30 32 16 12 15 12 18 10 15 13 7 6 7 7 25 14 19 7 6 4 10 7 5 4 9 26 19 27 27 13 7 11 5 13 8 10 9 7 3 7 11 6 5 5 33 30 3 4 6 8 13 8 8 16 12 10 8 6 4 7 17 13 28 54 46 11 5 16 15 8 3 4 7 3 2 5 6 3 2 6 8 15 59 65 12 7 4 6 6 3 7 6 5 2 15 12 5 1 4 7 4 2 4 45 28 1 4 6 4 1 3 6 4 3 6 6 3 2 6 7 4 2 7 8 2 1 4 7 12 4 5 4 2 2 4 18 12 4 15 11 3 3 4 4 2 3 8 7 6 20 40 31 18 47 73 15 5 5 6 4 1 27 29 5 1 3 6 3 0 3 6 3 1 3 5 3 1 16 4 2 2 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 4 2 3 4 3 1 2 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 3 4 4 2 3 4 4 2 3 5 4 2 3 6 4 1 4 5 6 4 7 8 10 27 42 18 6 2 4 5 3 1 4 6 3 1 4 6 2 0 7 83 100 7 3 3 4 3 4 4 3 4 5 54 42 5 5 4 2 3 4 4 2 3 4 4 2 3 4 3 2 3 4 4 1 3 4 3 1 3 4 3 2 4 5 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4; 1HNMR: 91 91 s 1H \| 78 78 s 1H \| 74 74 s 1H \| 54 53 s 2H \| 39 39 s 3H \| 39 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(N)ccc1CCc1ccc(F)cc1	ir: 17 18 13 9 2 4 3 3 4 2 2 3 4 13 7 2 1 1 3 1 1 8 6 2 1 1 1 1 0 2 3 2 1 1 4 1 1 3 1 1 1 2 1 0 1 3 2 0 1 2 1 0 2 4 16 18 4 2 2 1 1 1 1 4 1 1 2 11 6 3 0 0 2 2 1 7 1 1 5 14 9 3 1 1 1 1 3 1 5 1 1 1 2 3 1 1 2 10 2 1 1 2 0 1 2 4 14 1 2 1 1 2 4 10 4 2 3 4 7 6 2 2 2 1 4 5 2 2 2 1 0 1 1 0 0 1 1 0 0 1 1 1 0 5 4 3 30 9 5 3 2 4 3 1 13 9 14 100 3 2 1 4 2 3 15 4 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 2 2 2 1 1 1 1 2 4 2 4 8 7 24 43 22 3 3 3 3 2 1 1 1 1 1 0 1 1 1 1 1 4 6 1 1 1 1 0 1 1 1 2 1 98 36 1 2 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 72 72 d 1H J 21 \| 72 71 ddt 2H J 9 35 82 \| 71 70 m 3H \| 67 66 dd 1H J 22 82 \| 45 44 s 2H \| 39 39 s 2H \| 32 32 td 2H J 10 83 \| 29 29 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1cc(Cl)ccc1-n1cncn1	ir: 3 2 1 2 2 2 1 2 3 4 10 45 19 2 0 4 45 12 3 2 3 2 1 3 2 1 2 2 4 8 35 13 12 5 10 9 13 1 4 13 7 3 2 5 3 80 14 4 2 1 2 3 3 3 28 10 10 6 4 4 2 2 17 34 6 3 4 10 16 2 2 3 20 8 2 2 2 2 3 3 2 1 3 5 28 9 14 71 96 9 7 9 41 11 7 3 3 54 81 12 2 3 2 2 2 2 2 2 2 2 2 3 3 2 2 9 2 2 2 12 9 3 2 5 6 4 3 6 2 7 7 5 1 2 2 2 1 2 2 2 2 3 23 8 3 2 2 3 8 63 3 2 21 12 3 2 2 2 2 1 3 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 3 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 3 2 2 2 2 2 1 2 2 2 2 2 3 2 2 2 3 10 2 2 3 2 2 3 8 17 7 8 100 36 87 31 4 5 6 9 68 4 2 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1; 1HNMR: 89 89 d 1H J 18 \| 83 83 d 1H J 16 \| 76 75 d 1H J 87 \| 75 74 dt 1H J 9 23 \| 73 73 dd 1H J 24 86 \| 48 48 dd 2H J 8 52 \| 35 35 t 1H J 53	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C1(c2ccc(OC(F)(F)F)cc2)CC1	ir: 3 4 3 4 3 2 4 2 4 3 3 3 3 2 5 6 9 13 26 35 25 30 29 7 5 4 4 5 4 2 2 2 2 3 2 3 2 2 3 2 1 2 6 12 3 1 1 2 2 1 4 4 2 1 16 26 13 5 2 2 2 2 3 6 2 2 1 1 2 4 2 1 2 3 4 2 3 4 32 8 5 3 3 3 3 3 2 1 6 4 3 1 4 15 39 21 6 11 8 20 26 100 18 4 0 1 3 2 1 3 4 2 1 2 2 2 1 3 3 3 5 4 9 8 6 8 6 3 2 2 2 1 1 1 2 1 1 2 2 2 2 1 1 5 10 8 3 3 12 17 11 8 12 13 3 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 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 8 25 3 3 5 4 11 36 23 12 10 4 4 3 3 4 92 29 2 2 2 3 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 72 72 m 2H \| 72 71 m 2H \| 17 16 m 2H \| 14 14 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CSCCNC(=O)CCl)cc1	ir: 2 2 1 3 4 6 2 3 3 2 2 3 4 3 5 7 9 10 4 3 2 2 3 7 11 8 6 19 36 40 39 24 17 18 12 14 9 4 6 25 18 19 5 9 17 14 22 3 6 5 2 5 4 2 15 89 10 6 3 1 4 3 4 6 3 1 1 0 2 15 3 4 1 1 2 1 1 2 1 1 1 0 1 1 2 3 15 16 5 7 3 1 1 2 2 2 2 5 2 2 2 1 9 6 1 1 4 3 2 11 15 10 4 4 4 3 0 5 4 5 4 9 9 14 7 11 3 5 1 2 2 0 0 1 1 0 0 1 2 1 0 5 6 35 17 46 100 41 65 5 3 7 11 2 1 2 1 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 2 2 4 15 4 1 5 3 2 5 5 29 20 2 19 42 16 4 3 3 1 2 1 1 0 1 1 1 0 1 0 1 1 3 6 2 15 6 26 54 51 14 5 3 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 dt 2H J 9 78 \| 69 68 m 3H \| 41 40 s 2H \| 38 38 s 3H \| 37 37 d 2H J 9 \| 34 34 q 2H J 41 \| 28 27 t 2H J 41	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOCOc1cc(C(O)C(=O)OCC)c2c(c1C)OCO2	ir: 30 19 15 11 13 6 6 3 6 6 4 3 1 4 3 2 1 3 4 1 1 3 5 4 3 4 3 4 5 9 4 1 1 2 3 1 1 2 2 1 2 2 3 1 1 3 2 0 2 3 3 2 6 3 2 0 2 2 2 1 3 4 5 8 8 3 8 10 14 10 4 1 3 4 5 4 8 7 2 3 5 10 7 3 3 3 5 18 45 51 48 11 4 5 3 2 5 3 2 3 5 6 2 5 8 3 0 1 3 3 1 3 8 8 3 5 3 3 3 3 5 3 4 4 5 5 2 2 6 3 1 3 3 1 0 2 2 1 1 5 11 2 1 2 4 10 16 5 3 3 1 2 2 1 1 2 1 0 1 2 2 5 2 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 0 0 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 5 3 2 2 3 3 2 2 4 3 3 6 6 5 6 5 5 10 8 7 6 3 0 5 25 100 38 43 12 3 3 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 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 68 68 d 1H J 7 \| 59 59 d 1H J 27 \| 59 59 d 1H J 26 \| 51 51 m 1H \| 51 51 s 2H \| 45 45 d 1H J 62 \| 42 41 qd 2H J 37 63 \| 37 36 q 2H J 74 \| 23 23 s 2H \| 13 13 t 3H J 64 \| 12 11 t 3H J 75	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(CN1CCOCC1)=NO	ir: 2 2 1 1 2 2 3 10 21 6 2 3 1 3 5 4 4 2 3 2 3 2 5 3 4 5 4 8 5 2 3 2 7 6 7 8 10 7 4 3 2 2 2 2 2 1 2 1 4 9 3 6 4 2 3 6 3 2 2 1 1 1 1 1 1 1 1 1 1 6 7 4 6 11 1 2 0 0 1 10 2 6 10 2 1 3 2 1 0 0 1 1 1 1 4 1 1 17 34 5 3 3 0 1 1 1 1 1 0 1 2 2 1 1 1 1 0 1 1 1 1 1 0 1 1 2 1 1 1 1 1 1 3 1 0 1 1 2 1 3 8 16 28 11 2 2 5 4 7 16 11 8 2 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 1 0 0 0 0 1 1 0 1 1 60 55 4 1 1 1 1 1 1 3 37 17 18 3 2 1 0 1 1 0 0 1 18 100 5 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 55 54 s 2H \| 37 36 m 5H \| 34 33 s 2H \| 26 26 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(-c2ccnn2C)co1	ir: 6 3 6 10 20 62 11 3 18 22 36 34 16 2 1 1 1 4 2 1 1 1 2 3 8 41 18 3 2 1 1 1 2 2 1 1 1 0 1 2 14 5 1 1 1 2 4 3 1 1 2 9 14 11 2 1 1 2 10 7 3 1 1 1 1 1 1 4 2 1 3 22 25 13 28 19 11 3 3 16 5 3 4 6 12 18 9 12 4 5 21 19 44 9 2 7 32 50 52 19 12 2 2 2 1 1 2 2 1 3 2 2 2 7 57 100 7 13 21 22 11 4 5 4 2 2 6 18 17 21 10 3 3 8 11 6 2 3 15 15 4 2 2 15 25 82 100 10 4 20 24 36 26 7 4 28 31 8 3 0 2 2 1 0 4 3 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 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 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 2 2 2 3 2 2 1 1 2 2 1 3 4 5 4 8 15 15 7 12 12 31 71 87 31 8 4 2 2 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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; 1HNMR: 77 77 d 1H J 18 \| 76 75 d 1H J 33 \| 73 73 d 1H J 16 \| 64 64 d 1H J 33 \| 40 40 s 3H \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC[C@H](NC(=O)c1nc2ccccc2cc1NC(=O)Nc1c(Cl)cccc1Cl)C(=O)OC	ir: 2 4 2 1 2 7 2 1 6 2 17 5 3 2 1 2 1 1 1 1 4 3 2 1 2 7 3 2 1 1 2 5 6 3 25 17 3 1 4 3 4 3 17 19 10 36 39 64 63 10 4 3 4 4 2 6 2 0 3 4 11 5 1 1 1 1 3 2 4 3 2 5 4 3 4 4 4 2 1 2 1 2 0 1 1 6 1 1 1 1 6 1 1 1 0 1 7 8 2 2 0 1 1 2 8 3 1 2 1 9 5 2 3 8 7 1 1 1 5 11 4 7 14 6 6 2 1 2 8 23 16 1 1 4 8 6 13 19 9 17 3 2 3 6 11 41 30 16 9 11 5 47 1 3 20 5 5 7 100 3 2 1 1 1 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 2 1 1 1 2 3 2 3 4 4 4 5 50 37 8 1 2 1 1 1 1 1 1 1 2 1 0 1 3 2 2 7 5 3 9 17 77 42 15 5 2 3 2 0 1 2 3 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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; 1HNMR: 94 94 s 1H \| 85 84 s 1H \| 80 80 m 1H \| 80 79 dt 1H J 10 83 \| 77 77 td 2H J 12 81 \| 76 76 d 1H J 97 \| 75 74 m 3H \| 74 73 dd 1H J 75 86 \| 44 43 dt 1H J 61 97 \| 37 37 s 2H \| 19 18 dtd 1H J 61 88 138 \| 17 16 dtd 1H J 61 88 138 \| 15 12 m 4H \| 9 8 t 3H J 69	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1=C(CN2CCOC(C(=O)O)C2)NC(c2nncs2)=NC1c1ccc(F)cc1Cl	ir: 7 3 6 5 1 9 3 3 5 7 3 3 5 7 4 6 3 4 7 7 9 20 41 11 14 10 7 15 13 20 9 13 7 19 37 22 15 6 6 4 3 4 3 2 2 4 6 4 3 4 14 4 8 10 13 10 6 1 2 3 1 4 4 5 3 5 14 9 3 5 3 2 2 1 3 3 6 4 18 34 28 9 12 48 7 10 32 15 9 3 2 2 3 2 5 4 7 4 4 2 1 1 3 5 3 3 4 8 10 11 7 7 4 8 11 4 3 5 5 4 4 3 2 3 3 2 4 4 3 7 7 8 2 4 4 3 2 2 2 2 4 2 7 9 4 2 3 7 3 21 3 9 38 85 21 9 100 3 3 1 9 4 2 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 1 1 2 2 3 2 2 2 1 4 3 3 6 9 4 3 10 11 1 2 2 1 2 1 6 25 31 7 3 2 1 2 2 2 4 3 2 4 8 16 30 33 90 19 9 10 5 4 3 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0; 1HNMR: 97 97 s 1H \| 97 96 s 1H \| 93 93 s 1H \| 75 75 ddd 1H J 6 46 79 \| 73 73 dd 1H J 21 121 \| 71 71 ddd 1H J 22 80 102 \| 58 57 q 1H J 8 \| 44 44 t 1H J 38 \| 42 41 q 2H J 70 \| 39 39 ddd 1H J 36 61 106 \| 38 38 ddd 1H J 37 62 106 \| 37 36 m 2H \| 34 33 dd 1H J 38 121 \| 31 31 dd 1H J 39 122 \| 29 28 ddd 1H J 37 62 128 \| 28 27 ddd 1H J 37 62 128 \| 12 12 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C)(C)Cc1cn(C(=O)OC(C)(C)C)c(C(N)Cc2ccc(-c3ccc(F)cn3)cc2)n1	ir: 2 6 3 3 3 3 9 3 2 1 1 5 3 4 1 1 5 5 1 1 4 1 5 5 1 1 0 1 2 1 3 2 1 5 2 0 2 2 3 1 1 1 1 1 3 6 3 3 1 4 5 0 2 7 18 19 16 19 18 8 7 25 13 7 17 13 11 3 5 5 3 22 14 4 5 24 4 1 5 13 3 3 12 5 7 15 29 22 14 15 35 19 20 14 21 19 12 6 20 5 5 3 1 1 1 1 25 4 4 32 19 21 10 6 6 4 4 14 21 35 22 26 9 9 26 21 16 15 15 38 28 13 18 10 13 3 2 3 3 10 37 27 17 4 11 9 23 8 4 2 1 2 4 3 1 1 0 1 1 0 0 1 0 2 5 5 1 1 8 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 0 1 0 1 1 1 1 1 1 0 1 1 2 1 1 2 4 3 9 8 8 6 5 10 5 10 5 5 12 25 18 42 100 14 71 26 68 32 16 17 4 3 3 2 1 1 2 3 5 2 10 8 1 2 1 2 0 19 15 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 83 dd 1H J 19 141 \| 79 78 dd 1H J 46 82 \| 78 77 m 2H \| 74 74 ddd 1H J 20 82 101 \| 74 73 dq 2H J 9 85 \| 71 71 d 1H J 9 \| 51 51 p 1H J 58 \| 32 31 ddt 1H J 9 59 155 \| 30 29 ddt 1H J 9 57 154 \| 28 28 d 2H J 60 \| 26 26 d 2H J 7 \| 16 16 s 8H \| 14 13 q 2H J 79 \| 10 10 d 6H J 9 \| 9 8 t 3H J 79	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N=C(NO)c1cc(-c2ccnc(/C=C/c3ccccc3)c2)[nH]c1N1CCNCC1	ir: 2 3 4 4 3 5 7 8 4 5 7 13 6 3 5 6 1 2 4 0 2 2 3 1 0 4 4 1 3 3 9 14 7 2 5 9 5 5 3 8 5 4 5 10 39 6 6 2 2 3 3 0 27 8 9 9 3 2 2 3 1 1 4 2 1 1 12 22 7 4 6 2 10 7 7 8 5 3 3 13 2 3 5 3 5 3 3 4 9 2 2 3 5 20 75 12 8 4 5 4 3 4 1 1 1 1 2 2 1 5 2 2 4 2 1 12 4 6 5 1 0 2 2 1 1 1 1 1 2 5 9 4 3 6 1 4 5 3 8 4 9 1 6 6 10 11 4 9 6 4 3 27 16 3 1 20 5 4 2 3 1 1 1 1 1 0 0 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 3 1 5 5 5 5 14 15 9 4 1 2 3 1 15 7 1 1 2 1 1 2 7 17 3 6 5 2 3 4 6 100 9 11 4 2 4 2 2 1 1 1 1 0 1 0 1 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 92 d 2H J 20 \| 89 89 s 1H \| 86 86 d 1H J 47 \| 79 79 d 1H J 21 \| 77 76 ddt 2H J 14 42 62 \| 75 74 dd 1H J 21 47 \| 74 73 m 3H \| 73 72 m 2H \| 72 71 d 1H J 154 \| 70 69 d 1H J 24 \| 36 35 m 4H \| 30 29 m 4H \| 20 19 p 1H J 32	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)Cc1ccc(Oc2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)cc1	ir: 2 1 0 2 2 2 2 4 5 6 5 7 7 11 28 4 5 4 6 10 77 100 18 36 17 11 10 9 10 4 11 11 4 10 2 4 4 2 6 25 28 23 18 7 13 5 7 5 5 2 2 3 5 4 7 28 38 26 6 4 3 1 2 2 2 0 1 2 6 23 3 3 2 1 2 7 6 11 28 46 9 6 5 3 2 8 19 9 5 7 3 6 6 8 4 8 5 4 7 5 3 9 3 1 1 2 1 1 1 2 3 5 3 8 5 3 1 3 5 7 15 8 15 17 6 10 13 6 6 5 3 2 1 2 2 1 0 2 3 2 3 22 44 53 32 9 40 29 28 12 7 11 22 6 3 2 1 2 1 1 1 0 2 19 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 2 1 2 2 4 6 16 16 13 77 60 33 8 15 9 4 4 4 12 97 79 23 14 4 3 2 2 2 2 5 5 3 5 4 13 25 4 4 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0; 1HNMR: 79 79 m 2H \| 76 76 t 1H J 50 \| 73 73 m 2H \| 73 72 ddt 4H J 8 57 85 \| 72 71 m 2H \| 70 69 m 2H \| 35 34 m 4H \| 29 28 tt 2H J 8 53	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1ccc(OCCN(CC(F)(F)F)c2ccc(C#N)cc2C(F)(F)F)cc1	ir: 7 4 6 4 3 3 5 4 2 5 6 5 5 9 23 5 16 36 15 2 3 4 4 2 1 5 3 4 2 12 24 16 23 17 75 18 8 12 3 5 7 6 7 2 3 4 5 4 4 4 12 20 9 5 11 10 26 6 5 4 3 4 4 2 3 4 7 11 14 26 26 12 5 6 4 2 2 3 2 3 2 3 3 2 6 46 87 14 8 10 17 7 8 6 16 9 8 11 20 100 34 18 15 8 28 41 16 13 8 5 1 3 6 5 5 3 7 5 5 6 5 7 9 11 7 3 13 7 3 3 1 2 3 2 1 2 3 2 3 3 2 7 22 26 13 82 31 11 12 22 58 47 29 34 18 15 6 0 2 4 3 4 3 8 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 1 0 6 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 4 2 2 4 4 3 3 4 3 3 5 4 7 10 13 25 28 33 52 12 8 2 4 4 4 3 4 5 1 1 3 3 1 2 2 3 2 1 14 11 13 15 12 6 3 3 3 3 1 2 3 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 2 2 1 2 3 2 1 2 3 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 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 94 93 s 1H \| 77 77 dq 1H J 9 19 \| 75 75 dd 1H J 22 70 \| 75 74 m 2H \| 70 69 d 1H J 69 \| 69 68 m 2H \| 42 42 t 2H J 54 \| 40 40 d 1H J 128 \| 40 39 d 1H J 128 \| 38 37 t 2H J 55 \| 22 21 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)C(=O)Oc1ccccn1	ir: 1 2 2 26 3 2 2 3 2 3 7 8 2 2 2 1 1 2 5 1 0 1 1 0 0 3 2 0 1 2 3 4 6 14 6 1 25 56 25 8 6 14 7 2 1 12 10 1 1 1 1 3 4 31 32 8 5 3 1 1 2 7 3 3 14 4 1 0 3 17 12 2 1 1 1 1 1 2 7 3 4 24 14 22 5 2 1 1 1 1 1 1 1 1 3 2 2 1 1 1 1 1 0 1 1 1 0 1 2 2 1 1 1 1 1 1 10 10 6 8 13 8 5 2 2 2 2 7 4 16 4 3 2 10 39 100 48 7 2 1 2 3 2 3 4 64 7 8 20 7 2 3 2 7 6 3 35 28 5 2 1 1 3 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 0 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 1 1 0 1 1 2 2 3 3 4 4 13 4 10 64 23 2 3 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 84 83 dd 1H J 17 41 \| 76 75 td 1H J 17 74 \| 74 74 ddd 1H J 15 42 73 \| 70 69 dd 1H J 14 77 \| 13 12 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1ccc(N(C(C)C(C)C)S(=O)(=O)c2ccc(F)cc2)nc1	ir: 2 1 1 3 4 2 7 23 39 5 2 2 8 20 3 2 2 2 5 1 11 2 8 21 4 2 1 5 2 3 3 5 4 7 3 1 15 25 3 4 3 1 2 3 4 3 2 3 5 1 2 3 7 45 100 9 5 1 2 4 16 5 3 4 5 21 9 14 21 6 9 14 8 6 4 3 2 3 2 3 3 30 8 23 58 2 3 21 4 7 6 13 41 19 26 14 15 12 6 7 3 2 4 3 2 3 8 2 2 4 3 2 2 6 6 4 2 6 13 5 5 5 5 24 35 5 8 4 3 9 6 2 3 4 7 3 6 24 56 5 1 3 3 2 2 4 27 19 17 17 8 8 9 4 3 2 1 2 1 4 13 24 2 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 4 3 2 1 1 2 1 2 2 2 3 3 5 9 15 7 21 36 28 7 5 4 4 6 3 3 1 1 4 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1; 1HNMR: 81 80 m 1H \| 78 78 m 2H \| 74 73 ddd 1H J 7 19 82 \| 73 72 m 2H \| 71 70 d 1H J 80 \| 42 41 ddtt 1H J 15 32 77 124 \| 31 31 tt 1H J 66 78 \| 19 19 dtt 1H J 55 69 81 \| 14 13 d 6H J 71 \| 13 13 dd 3H J 14 91 \| 10 9 dd 3H J 16 69 \| 9 9 dd 3H J 15 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]c2ccccc2cc1S(=O)(=O)Nc1ccc(Br)cc1	ir: 2 3 3 4 5 4 15 5 10 42 9 25 5 4 4 3 3 4 4 6 7 52 12 9 4 2 5 6 3 4 4 3 3 5 10 14 10 8 10 10 10 11 17 68 49 7 6 2 4 5 4 2 8 13 22 44 24 4 5 5 3 3 3 6 7 5 5 2 5 5 3 3 3 2 4 7 46 11 3 3 3 3 6 3 22 33 22 10 6 4 1 3 5 5 1 20 10 3 7 5 6 38 65 21 4 3 2 2 3 6 3 2 3 3 2 2 3 3 2 4 7 5 11 8 4 2 1 3 4 17 8 11 17 22 10 5 4 3 3 3 3 4 2 4 5 2 23 40 4 7 6 2 20 13 13 10 6 2 3 3 3 3 7 2 42 0 3 4 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 3 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 1 2 3 2 1 2 2 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 2 1 2 2 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 3 3 7 8 13 98 22 7 10 4 5 4 3 2 3 2 3 2 4 2 2 2 3 3 3 3 6 5 12 27 52 100 54 17 6 3 2 2 4 3 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 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 3; 1HNMR: 91 90 s 1H \| 84 84 s 1H \| 78 78 dd 1H J 14 81 \| 74 73 m 4H \| 73 72 m 3H \| 72 71 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12	ir: 8 3 22 13 4 16 23 6 18 3 4 5 8 14 8 6 2 5 10 7 9 5 5 11 5 8 11 10 7 3 4 7 7 26 5 19 4 15 19 13 36 10 38 15 11 4 4 25 22 15 14 9 13 8 14 15 17 5 12 9 6 5 11 4 6 10 11 7 17 11 22 50 23 6 3 6 4 4 6 10 7 5 6 10 20 62 36 100 29 66 7 3 5 7 1 9 6 5 23 3 5 42 35 32 5 17 3 4 9 8 21 8 48 36 16 11 12 10 19 9 4 24 5 46 22 3 27 3 5 6 3 15 10 5 16 5 10 5 3 4 5 24 7 5 10 2 2 3 2 1 2 3 13 5 6 12 18 5 1 2 2 2 10 2 38 0 2 3 2 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 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 2 1 1 3 5 3 1 2 3 2 2 4 3 1 2 6 5 14 13 16 16 41 41 19 8 2 3 4 3 8 5 5 3 2 2 3 2 2 6 10 23 38 17 9 8 5 16 23 36 38 9 3 3 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 1 1 1 1 1 1 1 1 1 1 1 1 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 0 1 2; 1HNMR: 78 77 d 1H J 91 \| 74 73 m 2H \| 73 72 m 2H \| 72 71 ddt 1H J 9 20 78 \| 71 71 td 1H J 8 22 \| 69 68 dd 1H J 24 90 \| 57 56 tt 1H J 48 64 \| 48 47 m 1H \| 46 45 d 1H J 53 \| 42 41 t 2H J 46 \| 35 33 qd 2H J 26 47 \| 33 32 ddd 1H J 43 63 134 \| 31 30 ddd 1H J 44 64 135 \| 29 29 s 3H \| 28 27 q 2H J 72 \| 15 14 t 3H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1c2ccccc2nn1-c1ccccc1	ir: 2 4 1 2 3 14 13 3 2 2 3 3 3 2 2 2 2 2 2 2 3 3 4 9 13 2 2 3 3 2 2 3 3 3 4 4 4 3 3 3 2 2 9 21 24 0 2 3 2 1 2 3 2 1 3 3 2 1 2 2 2 2 2 3 2 2 2 2 9 6 3 4 2 2 4 5 3 4 5 2 2 2 2 4 2 2 3 4 2 2 2 2 2 2 6 4 2 4 3 3 2 2 2 2 2 4 9 6 3 3 3 2 1 2 2 4 2 2 3 2 2 3 3 2 2 2 3 2 1 2 3 2 1 3 8 3 20 2 16 10 3 4 50 100 4 3 3 3 6 11 3 3 11 2 2 2 2 2 2 2 2 4 5 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 5 7 3 17 32 18 8 5 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 85 85 dd 1H J 15 80 \| 76 76 dd 1H J 14 66 \| 76 75 m 4H \| 75 75 td 1H J 14 67 \| 74 74 m 2H \| 39 39 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Cn2cnc3ccccc32)cc1-c1ccc2nonc2c1	ir: 0 10 8 3 9 6 2 1 2 7 5 3 2 2 4 2 7 1 1 1 2 2 2 3 2 2 8 2 1 2 2 1 7 4 3 3 2 3 5 3 5 6 9 8 4 8 4 2 6 13 5 8 10 20 28 56 39 3 2 2 3 5 6 46 3 3 2 2 7 12 21 9 12 12 3 5 3 3 3 1 1 2 1 2 2 2 2 2 8 4 5 8 4 3 2 8 37 3 6 32 35 8 0 9 5 2 1 1 14 3 1 2 2 9 8 3 3 3 11 27 8 2 4 7 5 2 2 2 3 3 3 2 2 1 0 1 2 1 18 7 4 9 5 3 16 16 9 6 4 12 27 29 8 11 6 4 1 1 1 1 2 2 1 1 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 2 1 1 2 1 1 1 3 2 0 2 3 6 8 10 20 46 100 79 7 11 8 5 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 85 84 d 1H J 23 \| 81 81 t 1H J 9 \| 80 79 d 1H J 84 \| 78 77 dd 1H J 14 66 \| 76 75 m 2H \| 75 75 dd 1H J 21 83 \| 74 74 td 1H J 13 72 \| 74 73 td 1H J 15 69 \| 72 71 m 1H \| 69 69 d 1H J 75 \| 55 55 q 2H J 9 \| 39 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(CCO)C(=O)c1ncc(F)cc1F	ir: 2 1 1 2 4 1 0 2 2 2 5 3 5 1 1 1 1 0 0 1 3 1 0 1 1 0 0 1 1 0 0 1 3 7 10 3 10 22 3 1 1 2 10 1 0 1 1 1 0 1 2 2 0 0 1 1 0 0 1 1 2 1 0 1 1 2 1 3 7 0 1 2 0 0 1 1 1 0 0 0 1 1 3 3 5 2 100 18 6 4 3 4 9 2 3 2 3 1 1 1 0 0 0 0 0 0 1 1 2 1 1 0 1 1 3 14 10 4 3 3 1 1 1 1 0 1 1 1 2 1 4 1 3 1 1 2 10 1 0 0 0 0 0 0 2 3 1 0 1 5 1 1 2 4 2 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 1 1 2 10 3 1 1 1 2 1 3 46 18 3 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 83 dd 1H J 18 140 \| 75 74 td 1H J 16 121 \| 40 40 t 1H J 59 \| 38 37 q 2H J 61 \| 36 35 t 2H J 62 \| 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)c1ccc(O)nn1	ir: 6 5 8 22 11 12 5 5 11 6 2 4 3 1 1 2 4 2 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 2 2 5 2 2 2 2 1 1 1 2 2 1 1 1 1 1 1 2 4 12 5 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 3 9 18 32 8 1 1 2 2 2 1 1 1 1 1 4 5 3 2 2 1 1 1 1 1 0 1 1 1 0 26 3 1 1 1 1 2 2 2 2 3 9 3 4 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 1 1 1 1 1 29 26 4 1 2 1 1 1 1 2 4 8 5 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 3 1 4 8 11 3 1 2 3 1 9 100 27 31 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 96 96 s 1H \| 82 82 d 1H J 86 \| 70 70 d 1H J 86 \| 44 44 q 2H J 64 \| 14 13 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccc(C(=O)O)cc3)nc21	ir: 5 4 4 4 4 5 4 5 4 5 4 5 7 17 5 6 8 8 15 12 13 15 27 10 5 4 5 4 4 4 4 4 5 11 9 11 42 15 14 23 7 8 5 30 7 4 4 4 4 4 4 4 4 8 4 20 15 5 4 4 4 4 4 4 4 4 4 4 5 6 7 5 4 5 5 4 13 8 6 35 4 4 6 5 6 4 4 4 4 4 4 4 4 4 4 4 4 5 3 5 4 4 5 5 5 4 4 4 4 4 4 4 4 4 3 8 4 5 6 5 5 4 5 5 5 4 4 4 5 5 5 4 38 4 4 4 4 6 5 4 6 14 5 7 65 6 8 5 6 5 13 4 6 33 17 7 4 5 20 1 9 0 3 8 5 2 3 5 4 2 3 5 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 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 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 4 4 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 5 6 22 7 4 4 4 4 5 5 7 59 100 7 4 6 6 4 4 8 12 4 5 5 4 4 7 27 8 5 4 3 6 58 5 5 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4; 1HNMR: 81 80 m 2H \| 80 80 m 2H \| 75 74 dd 1H J 14 73 \| 72 72 td 1H J 12 75 \| 72 72 s 2H \| 71 70 m 1H \| 69 69 dd 1H J 12 83 \| 39 39 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC1CCN(c2nc3c(cc2F)c(=O)n(N)c(=O)n3C2CC2)C1	ir: 24 12 4 6 3 4 4 4 16 9 2 2 1 1 2 2 2 2 4 5 3 5 4 5 8 8 10 10 19 18 15 12 8 10 13 10 10 15 6 10 11 8 6 5 2 3 11 11 18 21 14 45 25 11 4 3 3 3 4 2 4 17 3 4 18 5 6 4 5 3 3 2 2 4 3 2 2 2 1 1 1 1 1 3 2 1 2 6 7 3 6 7 2 3 3 3 4 4 10 6 2 4 18 3 11 8 2 2 3 10 5 4 2 2 3 2 2 2 6 6 16 9 2 5 8 5 4 15 14 19 5 5 2 2 5 20 4 7 52 2 1 4 4 2 30 38 100 17 33 30 20 19 8 5 3 2 2 7 31 54 15 51 7 3 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 2 1 3 2 2 2 1 1 2 2 2 3 9 7 8 16 11 7 11 5 4 3 3 3 3 1 1 1 1 2 2 1 1 3 2 2 4 15 4 2 5 14 60 12 5 2 1 3 14 40 9 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 80 79 d 1H J 121 \| 54 53 s 2H \| 44 43 d 1H J 68 \| 43 42 m 2H \| 40 40 m 1H \| 37 36 m 2H \| 36 35 ddd 1H J 55 75 142 \| 22 21 m 1H \| 19 18 m 1H \| 14 14 s 8H \| 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.
CC1(C)CC[C@H](O)C(=O)O1	ir: 14 8 4 5 7 5 5 7 9 4 3 3 5 5 5 7 5 7 7 4 4 2 1 3 4 4 1 4 3 2 1 3 3 2 2 4 6 11 6 3 3 2 3 4 4 1 2 3 3 4 8 8 6 0 1 4 2 2 3 5 2 0 4 6 4 2 2 4 4 2 3 3 2 4 4 4 1 1 3 3 1 1 4 5 1 2 10 41 100 100 79 12 9 3 2 2 2 2 3 4 3 6 11 10 1 3 3 3 3 2 4 2 1 4 10 3 7 10 8 13 8 10 7 3 5 9 9 4 2 3 7 5 16 3 3 1 2 3 3 2 2 2 7 12 15 14 4 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 2 2 4 3 2 4 7 3 1 3 5 4 2 5 16 7 5 3 3 2 1 2 2 2 2 11 11 9 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1; 1HNMR: 43 42 m 1H \| 39 38 d 1H J 60 \| 21 20 dddd 1H J 42 75 104 137 \| 19 18 m 2H \| 17 16 ddd 1H J 75 103 137 \| 14 13 d 6H J 86	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(C)C(N)=C(C#N)C#N	ir: 9 9 7 6 2 6 12 8 1 6 8 3 3 6 9 8 4 6 7 3 3 7 12 6 6 6 8 3 4 9 7 3 4 6 5 2 4 6 5 1 6 9 7 2 4 7 5 2 4 6 5 1 4 6 3 0 3 7 3 1 6 7 3 0 3 6 3 0 4 6 3 1 4 6 2 1 4 5 2 1 4 5 4 8 8 9 3 5 7 8 4 4 5 5 4 3 7 4 1 2 6 4 2 3 5 4 0 3 5 3 2 3 6 3 2 3 5 3 1 4 5 3 0 4 6 3 3 6 6 2 1 4 7 4 1 4 5 1 1 4 4 2 1 4 5 1 6 19 49 48 3 6 7 4 50 16 13 3 3 5 4 1 3 5 4 0 2 5 3 0 2 5 3 0 3 5 2 0 3 4 5 4 3 8 5 0 3 5 2 1 3 4 2 1 4 4 1 1 4 4 1 1 4 4 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 0 2 5 3 0 2 5 2 0 2 5 2 0 3 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 4 4 1 2 4 3 1 1 4 3 1 2 5 3 1 2 5 3 1 2 5 3 1 3 6 3 2 6 4 3 2 3 5 2 0 3 5 2 1 3 5 2 1 3 5 3 2 6 28 11 2 4 5 1 1 5 5 0 0 11 100 31 21 4 3 3 3 3 3 2 2 3 3 2 2 3 3 1 3 4 3 1 2 4 2 1 3 4 3 1 3 4 3 2 3 4 3 1 3 4 2 1 3 3 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; 1HNMR: 52 52 s 2H \| 34 33 q 2H J 83 \| 29 28 s 3H \| 12 11 t 3H J 83	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(C(=O)Cc2csc(-c3cnn(C(C)(C)C)c3-c3ccc(F)cc3)n2)CC1	ir: 1 1 2 1 1 1 2 1 3 2 3 4 6 2 2 6 3 1 2 1 1 1 1 3 1 2 1 2 1 2 1 1 1 1 1 2 1 1 2 1 1 1 1 0 1 1 2 0 1 1 3 1 9 1 31 30 46 25 6 4 3 8 6 5 7 7 5 2 6 4 20 3 4 2 1 4 2 3 5 4 5 2 6 6 6 3 0 2 2 2 4 4 6 5 2 2 4 4 0 3 9 10 6 5 7 3 8 3 8 5 1 2 3 5 5 8 10 4 13 14 17 14 4 15 57 9 32 14 5 17 11 12 5 5 10 7 4 3 4 5 9 8 22 3 5 3 1 2 2 2 14 9 5 1 1 1 1 1 1 2 5 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 2 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 0 2 2 4 6 6 5 6 9 9 12 4 4 4 5 29 16 41 51 31 100 17 16 6 10 2 1 1 2 2 2 1 1 1 0 1 1 1 1 1 1 1 0 1 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 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 0 1; 1HNMR: 80 80 s 1H \| 76 76 m 2H \| 74 73 d 1H J 9 \| 72 71 m 2H \| 35 34 m 7H \| 25 25 s 3H \| 25 24 m 4H \| 17 16 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(C23CC4CC(CC(C4)C2)C3)c(=O)[nH]n1C(C)C	ir: 3 3 5 6 5 10 12 11 8 20 13 21 2 17 31 12 10 7 5 8 3 5 5 3 3 5 5 3 2 7 4 7 13 18 49 18 83 47 23 10 7 7 5 3 5 5 4 3 6 7 4 2 3 6 4 3 5 9 11 3 4 5 5 5 4 7 3 5 7 6 4 2 3 6 11 5 5 8 3 3 6 11 8 7 3 4 2 3 6 5 3 4 7 5 9 18 7 7 3 12 51 38 23 8 15 17 15 32 24 15 8 10 15 15 10 8 5 5 9 7 9 14 24 11 5 9 11 13 22 27 8 8 7 3 4 4 8 9 4 4 5 14 59 18 7 2 2 7 10 2 1 4 3 2 3 6 8 25 35 22 8 5 5 5 3 1 4 5 3 1 3 5 3 1 2 4 2 0 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 2 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 3 2 1 3 3 2 2 3 3 2 2 4 4 2 2 3 4 2 2 4 4 3 4 8 7 8 7 7 10 6 8 17 9 15 7 14 11 9 52 37 14 9 7 5 5 3 4 4 4 2 4 4 3 3 3 4 3 3 5 4 3 6 12 10 53 100 95 20 25 13 8 4 2 3 4 4 2 3 4 3 1 2 4 3 2 3 3 3 2 2 4 3 1 3 4 3 2 4 4 2 1 3 4 3 1 3 3 2 2 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 89 89 s 1H \| 40 39 hept 1H J 67 \| 21 20 qd 3H J 48 56 \| 21 20 s 3H \| 20 20 d 6H J 52 \| 18 17 m 6H \| 13 12 d 6H J 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1ccc2nc(CN3CCCC3)ccc2c1	ir: 1 1 3 2 1 1 1 1 1 1 1 4 2 2 3 5 7 2 10 9 2 3 6 4 1 2 1 1 2 5 4 9 8 19 36 13 3 4 4 1 1 2 1 1 1 3 3 2 3 2 3 1 6 6 8 22 35 13 3 1 3 2 1 1 3 4 5 10 9 2 5 2 2 1 1 1 2 3 20 13 6 3 1 4 4 2 4 10 8 4 14 5 9 9 11 4 4 2 1 2 5 35 5 4 6 6 16 13 3 2 2 4 4 1 1 1 1 4 3 2 4 3 4 2 2 3 3 3 8 6 2 1 1 1 1 1 2 4 1 8 4 6 6 10 4 11 12 11 21 5 3 5 45 100 27 22 7 13 9 2 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 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 2 1 1 2 1 1 2 2 1 0 2 1 4 7 5 10 13 48 24 9 10 3 5 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 10 12 16 26 7 3 2 2 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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; 1HNMR: 92 91 s 1H \| 82 81 dd 1H J 22 82 \| 80 80 t 1H J 21 \| 79 79 d 1H J 85 \| 78 77 dd 1H J 22 82 \| 74 74 dd 1H J 11 82 \| 37 36 d 2H J 7 \| 30 29 m 4H \| 22 21 s 3H \| 19 18 p 4H J 19	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
ClCc1ccc(Oc2ccccn2)cc1	ir: 1 2 8 11 5 2 1 2 5 5 2 1 1 1 1 2 2 1 1 0 1 2 2 2 3 2 3 2 2 3 8 6 9 7 7 3 5 6 11 41 33 27 6 20 8 4 4 1 1 3 2 4 8 24 39 40 31 6 3 4 2 0 1 2 2 1 1 2 4 14 3 1 1 1 1 1 2 2 5 4 14 9 11 5 2 9 3 2 4 3 1 1 3 4 1 2 4 7 1 1 1 1 1 2 7 6 1 2 5 2 2 1 2 2 0 1 1 1 1 1 1 1 0 2 2 5 6 3 3 1 1 2 4 6 7 52 75 12 7 3 1 1 1 1 1 2 15 15 44 18 4 4 9 5 4 40 100 40 16 1 1 4 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 2 1 3 2 1 2 0 1 4 3 9 4 8 25 97 27 15 7 5 3 5 2 2 1 0 1 1 0 0 1 1 0 0 0 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 83 dd 1H J 17 41 \| 76 75 td 1H J 17 74 \| 74 74 ddd 1H J 15 42 73 \| 73 73 dt 2H J 9 82 \| 70 69 m 2H \| 68 68 dd 1H J 14 75 \| 46 46 t 2H J 8	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCC(c2c[nH]c3ccc(C=O)cc23)CC1	ir: 2 2 6 5 3 1 1 1 0 1 1 1 2 2 2 1 3 1 4 2 36 5 1 1 2 16 21 2 0 1 1 1 1 2 1 1 2 2 1 1 1 2 6 4 1 7 1 1 1 1 2 2 10 37 6 3 1 1 1 2 5 4 4 0 4 4 9 6 6 10 4 0 2 2 5 6 2 3 10 6 20 2 1 1 2 2 3 2 4 9 2 2 2 1 1 2 3 3 9 2 5 10 24 6 9 10 2 8 9 5 5 1 1 2 2 1 1 1 0 2 4 7 4 2 3 3 1 4 1 2 2 1 5 1 0 2 2 3 2 1 8 8 5 5 2 1 1 3 9 1 2 1 1 1 13 3 9 15 5 1 1 1 1 2 2 1 1 0 0 1 1 1 0 1 1 0 1 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 7 1 1 1 1 2 1 1 1 2 2 1 3 1 5 4 2 52 7 3 5 10 2 2 2 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 100 2 1 3 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 95 94 d 1H J 73 \| 83 82 d 1H J 27 \| 78 77 dd 1H J 22 71 \| 75 75 d 1H J 71 \| 74 73 m 1H \| 30 29 m 3H \| 26 26 ddd 2H J 58 86 119 \| 24 23 s 3H \| 22 21 ddt 2H J 56 84 123 \| 20 19 ddt 2H J 57 86 125	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@H](COc2ccc(Cl)c(C(N)=O)c2)C1	ir: 4 3 1 4 3 6 8 2 8 4 28 29 12 14 1 4 9 9 18 35 26 7 4 3 0 1 1 1 2 13 18 9 3 3 2 1 4 2 2 1 4 18 76 7 6 0 2 1 1 5 1 3 3 30 16 7 2 1 2 1 1 2 1 1 0 2 3 3 9 4 8 4 1 5 4 2 1 1 1 1 2 3 1 1 1 3 0 1 1 0 0 1 1 0 1 1 2 1 1 1 0 1 3 11 4 9 15 4 4 4 1 2 8 2 0 1 2 2 9 3 8 10 13 10 5 5 1 11 4 4 3 7 2 3 21 2 1 3 5 1 2 0 1 0 1 1 7 7 1 1 7 78 6 1 1 1 2 11 100 4 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 3 1 1 2 2 2 2 1 2 1 2 3 4 12 8 8 24 10 2 1 1 0 1 0 0 0 0 0 0 0 0 1 1 2 25 2 1 1 0 0 0 0 0 1 1 0 7 86 7 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: 74 74 d 1H J 90 \| 74 73 d 1H J 27 \| 69 68 dd 1H J 27 90 \| 68 67 s 2H \| 42 41 dd 1H J 67 116 \| 40 39 dd 1H J 68 115 \| 37 36 dd 1H J 37 117 \| 35 34 m 2H \| 33 32 m 1H \| 23 22 m 1H \| 19 18 m 2H \| 18 16 ddtd 1H J 38 65 89 127 \| 16 15 m 1H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)=NNc1cc2c(nn1)CCN(C(=O)c1ccc(Cl)cc1)C2	ir: 7 2 4 4 2 4 3 2 5 3 6 4 2 5 4 3 11 10 9 5 6 4 12 12 8 4 3 13 30 31 17 26 31 21 24 6 19 61 13 13 12 6 5 2 3 3 3 3 8 5 13 16 9 8 23 13 25 6 4 2 4 4 3 4 8 8 24 35 24 9 7 4 7 3 3 3 2 3 2 2 5 2 2 2 3 5 5 8 6 6 9 7 5 5 4 5 4 3 6 7 7 11 14 8 7 5 6 8 9 6 3 4 7 11 9 15 6 6 8 17 12 16 11 24 38 6 7 6 12 11 14 9 10 8 3 8 4 13 94 69 39 8 12 10 13 31 17 18 15 19 18 7 10 5 3 4 15 13 4 0 6 92 7 7 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 3 3 3 2 6 7 4 4 6 5 4 4 5 6 4 11 27 41 100 18 12 5 11 7 3 3 5 4 2 2 3 2 2 2 3 4 4 4 9 7 6 18 26 47 39 73 14 8 4 3 3 3 2 2 2 3 2 1 2 3 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 80 80 s 1H \| 78 78 m 2H \| 76 75 m 2H \| 66 65 t 1H J 9 \| 47 46 d 2H J 7 \| 39 39 m 2H \| 29 29 m 2H \| 20 19 q 3H J 13 \| 19 19 q 3H J 13	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1=C(CN2CCOC[C@H]2C(=O)O)NC(c2nccs2)=NC1c1ccc(Cl)cc1Cl	ir: 4 6 5 2 5 5 3 2 3 1 1 4 5 5 4 5 4 3 3 2 2 1 4 4 2 2 2 1 1 9 3 1 2 3 3 6 27 13 4 2 1 3 1 1 3 4 3 2 1 2 1 0 2 3 15 7 2 4 2 2 2 2 3 11 6 1 10 6 6 2 11 0 1 2 16 0 2 3 1 1 2 4 1 22 13 5 5 8 11 5 2 7 8 2 2 5 3 3 2 2 2 2 1 1 1 1 2 8 8 3 2 1 3 5 1 3 2 3 7 16 4 2 2 5 15 8 2 2 3 13 2 2 1 1 1 2 1 1 1 4 3 1 2 3 2 4 2 2 46 1 0 5 2 0 1 1 1 0 2 4 8 2 0 2 6 1 1 1 1 0 12 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 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 1 1 1 1 1 2 1 2 2 2 5 8 5 6 5 5 10 5 7 21 5 8 100 4 9 3 1 2 3 2 13 19 3 2 1 1 1 1 1 3 5 6 20 4 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 88 88 s 1H \| 80 79 d 1H J 46 \| 75 75 m 2H \| 75 75 d 1H J 46 \| 74 73 dd 1H J 21 80 \| 57 57 q 1H J 8 \| 41 40 dd 1H J 32 105 \| 39 38 dd 1H J 9 139 \| 38 37 m 2H \| 37 36 m 2H \| 37 37 s 3H \| 36 36 dd 1H J 33 60 \| 31 30 ddd 1H J 37 60 130 \| 29 28 ddd 1H J 37 59 130	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1c2ccccc2NC(=S)c2cscc21	ir: 2 1 0 2 12 2 0 2 3 7 3 2 5 2 5 2 3 1 1 3 3 18 5 2 3 4 2 3 2 2 8 2 2 2 3 22 65 17 6 3 3 13 72 16 12 1 2 2 2 2 7 2 2 2 18 11 4 3 5 17 8 1 2 2 1 1 2 5 3 3 3 3 3 4 23 32 6 2 2 2 1 1 2 3 2 14 2 3 1 1 3 2 1 6 3 1 1 3 12 6 15 42 5 3 5 11 13 3 3 4 6 8 1 2 3 2 2 26 38 3 1 2 2 2 1 2 2 1 1 2 2 2 1 4 7 12 36 5 6 15 13 8 13 24 8 46 22 21 3 8 79 1 31 4 3 13 6 3 2 0 1 4 2 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 2 1 1 1 2 2 0 1 2 2 1 1 2 2 0 1 2 2 1 3 5 2 2 2 6 7 3 19 47 52 33 85 10 5 5 3 2 1 2 2 1 2 1 5 2 1 2 3 3 6 5 9 100 15 3 2 8 5 2 1 2 2 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 75 d 1H J 18 \| 74 74 dd 1H J 15 81 \| 73 73 d 1H J 16 \| 72 71 m 2H \| 71 70 dd 1H J 17 73 \| 35 35 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(C)c1CNc1cc(CO)cc2c1nc(C)n2C	ir: 0 8 17 8 4 12 15 10 1 11 15 8 4 11 17 15 11 16 26 8 4 13 14 11 8 11 17 4 9 16 13 8 7 15 12 7 7 15 21 6 10 17 18 13 35 37 54 14 7 17 9 2 8 16 10 1 10 15 8 3 11 16 7 7 9 16 16 18 25 32 14 8 11 20 6 6 14 14 6 4 15 15 10 11 18 62 34 36 37 47 20 12 31 15 11 6 17 26 27 37 19 15 4 7 18 15 4 20 22 11 6 24 20 23 13 16 21 19 21 20 36 21 24 13 19 13 9 19 34 13 18 20 29 6 4 12 18 29 27 43 29 39 6 10 10 5 5 10 10 3 6 11 10 3 5 12 14 8 9 16 10 2 6 12 11 3 9 12 7 2 7 10 7 6 24 16 6 0 7 12 6 1 8 11 5 2 8 11 4 2 8 10 4 3 9 10 4 3 9 10 3 4 9 9 3 4 10 8 3 4 10 8 2 5 10 8 2 6 11 7 2 6 11 7 1 6 12 7 1 6 11 6 2 7 12 6 2 7 11 5 2 8 10 5 3 8 10 5 3 8 9 4 4 9 9 4 4 9 9 4 5 9 10 4 5 11 10 9 16 22 17 12 16 17 16 11 15 19 17 16 20 20 58 42 80 51 100 89 71 29 21 9 12 22 48 39 73 21 19 10 15 15 8 9 17 19 16 17 24 18 8 13 13 14 7 6 10 9 5 7 10 9 4 6 10 9 4 6 10 7 3 6 10 7 2 6 10 7 2 6 10 6 2 6 10 6 2 7 10 6 2 7 10 5 3 7 9 5 3 7 9 5 3 8 9 4 4 8 8 4 4 8 8 4 4 8 8 4 5 9 7 3 5 9 7 3 5 9 7 3 5 9 7 3 6 10 6 2 6 10; 1HNMR: 71 71 dd 1H J 72 80 \| 71 70 dt 1H J 8 19 \| 70 69 d 2H J 77 \| 68 68 dt 1H J 8 19 \| 67 66 t 1H J 61 \| 48 47 d 2H J 60 \| 46 46 dt 2H J 9 56 \| 38 37 s 3H \| 31 31 t 1H J 56 \| 25 25 s 3H \| 23 22 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCC(O)CO)c1c(I)c(CO)c(I)c(N(CCO)C(=O)C(O)CO)c1I	ir: 4 5 3 9 8 9 9 5 7 3 4 2 6 6 4 4 11 2 4 3 1 3 7 7 2 2 4 1 1 2 2 2 1 2 1 1 3 2 1 1 2 4 2 3 5 2 1 0 1 1 1 2 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 3 1 0 1 1 4 0 1 1 2 1 1 0 2 4 2 2 1 2 6 10 18 2 27 21 18 5 5 8 6 9 11 18 2 3 1 1 1 1 1 1 1 2 1 2 1 1 1 0 0 0 1 1 1 1 2 1 1 1 1 3 1 1 0 1 0 1 0 1 1 0 0 0 0 0 1 4 11 4 15 2 1 1 1 2 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 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 1 1 1 1 2 1 3 12 4 13 40 100 18 4 1 1 1 0 1 0 0 0 1 2 4 4 2 2 4 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 t 1H J 68 \| 51 50 d 2H J 55 \| 47 46 d 1H J 60 \| 45 44 t 1H J 62 \| 44 43 m 2H \| 41 38 m 9H \| 38 37 ddd 1H J 48 55 126 \| 36 36 ddd 1H J 48 68 134 \| 35 34 ddd 1H J 48 55 126 \| 34 33 ddd 1H J 48 68 132 \| 25 24 t 1H J 54	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCCCCCN(C)C(=O)[C@@H]1C[C@@H](O)CN1	ir: 3 6 5 3 5 6 6 5 3 2 1 4 5 3 1 3 3 3 2 3 4 6 12 3 6 3 3 2 5 5 6 31 24 58 10 22 23 7 4 5 7 11 10 6 6 7 8 6 4 3 6 3 2 1 3 3 4 1 2 7 2 1 11 5 9 9 9 7 12 17 9 9 8 7 4 9 5 4 4 3 3 5 10 7 16 9 22 22 16 4 12 10 10 17 10 7 3 4 4 2 2 3 4 3 5 4 12 9 13 19 32 15 3 15 33 38 26 16 9 11 22 9 3 8 11 5 8 3 3 13 7 3 5 5 14 8 7 4 3 3 4 2 1 1 1 2 1 3 16 9 2 1 1 2 1 0 1 2 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 2 2 1 1 2 3 3 5 12 5 5 5 2 8 3 7 30 31 11 12 5 6 2 7 2 4 7 9 57 5 3 3 3 2 1 2 5 2 5 100 60 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 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 0 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: 59 57 m 1H \| 51 51 m 1H \| 50 49 ddt 1H J 13 24 172 \| 42 41 m 1H \| 39 38 tddd 1H J 9 18 42 59 \| 33 31 m 2H \| 31 30 m 2H \| 29 29 s 2H \| 28 27 m 2H \| 23 22 ddd 1H J 43 67 137 \| 21 20 m 3H \| 16 15 m 2H J 63 \| 14 13 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC(c1ccccc1)c1ccc(Cl)nc1	ir: 9 6 13 16 9 5 3 5 5 3 3 5 7 10 3 4 4 3 2 3 4 2 2 3 5 2 6 5 6 10 25 7 24 10 10 9 33 15 6 6 18 55 16 22 19 3 5 5 5 6 8 11 7 24 18 7 5 2 3 4 3 2 3 6 4 4 8 5 9 25 33 10 3 2 4 5 4 2 11 6 3 8 9 35 45 94 41 13 11 24 13 8 2 2 7 6 2 3 5 3 1 2 6 4 4 20 8 3 0 3 6 3 1 6 8 4 4 3 6 6 4 5 8 3 4 5 37 26 9 7 16 26 100 10 17 45 14 3 4 3 2 4 10 10 4 6 5 11 13 19 6 4 11 16 6 1 3 5 10 12 18 8 3 0 2 5 3 2 3 4 2 0 2 4 2 0 3 4 2 0 3 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 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 1 2 4 3 1 2 4 3 1 2 4 4 2 5 7 8 5 5 8 6 5 5 10 9 8 19 69 62 8 6 10 6 4 11 71 40 10 6 4 3 3 3 3 2 2 3 3 2 2 3 4 3 5 8 5 5 5 4 4 2 3 4 3 2 2 3 3 2 2 3 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 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 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 85 84 d 1H J 18 \| 77 76 m 1H \| 74 73 m 0H \| 74 73 s 0H \| 73 73 s 5H \| 60 60 d 1H J 56 \| 34 33 d 1H J 57	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	ir: 0 1 0 0 0 0 1 0 0 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 0 0 0 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 3 2 1 0 0 0 0 0 0 0 0 1 1 1 0 0 1 1 1 1 1 1 0 2 0 0 2 1 2 1 1 0 0 0 0 1 1 2 2 1 2 5 1 1 0 0 0 0 0 1 0 1 1 1 1 0 0 1 0 0 0 0 1 0 0 1 1 0 0 0 1 2 3 1 0 1 0 1 0 0 0 1 1 0 1 0 1 0 0 0 2 6 1 1 3 0 0 0 0 0 0 0 3 0 0 2 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 2 1 1 1 2 3 2 3 6 4 2 1 2 1 0 1 5 7 100 7 4 2 1 1 0 1 1 0 1 1 0 1 1 2 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 71 ddq 1H J 10 20 104 \| 64 64 dd 1H J 14 103 \| 63 63 d 1H J 13 \| 60 59 dt 1H J 17 80 \| 49 48 d 1H J 147 \| 47 47 d 1H J 145 \| 42 41 dddt 1H J 37 46 64 74 \| 26 26 d 1H J 44 \| 25 24 m 2H \| 21 21 s 2H \| 21 20 m 1H \| 20 19 dd 1H J 37 136 \| 17 16 m 3H \| 16 15 tdt 1H J 17 33 88 \| 15 14 m 1H \| 13 13 t 3H J 13 \| 9 9 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)c1cc(Br)cc(F)c1N	ir: 1 1 1 1 1 3 1 1 0 1 1 1 2 1 1 2 4 2 3 6 4 5 5 2 1 0 2 1 1 1 2 2 3 4 1 2 1 1 0 1 1 1 1 3 10 9 2 1 1 1 1 1 0 0 1 0 1 1 0 0 1 1 1 2 1 0 3 1 1 1 0 0 0 0 0 0 0 0 0 1 1 2 1 1 1 0 1 2 0 0 0 0 0 0 0 2 1 1 0 1 5 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 1 1 1 3 1 1 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 2 7 10 2 7 0 1 1 15 1 1 2 2 12 4 29 11 2 1 1 8 1 1 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 1 0 0 0 0 1 1 1 2 2 4 2 1 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 20 3 1 1 1 7 3 3 2 2 2 0 12 100 2 2 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 d 1H J 22 \| 74 74 dd 1H J 21 122 \| 67 66 q 1H J 51 \| 61 61 d 2H J 35 \| 29 29 d 3H J 51	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2nccc(Oc3ccc4ncccc4c3)c2cc1OC	ir: 2 2 3 3 3 3 2 2 2 2 3 4 4 3 2 4 3 3 6 4 4 2 2 2 2 3 3 3 3 3 2 3 7 3 2 3 3 2 3 5 10 3 3 2 2 2 3 6 3 5 25 4 4 2 5 18 57 14 4 2 8 4 4 8 3 4 3 2 23 44 6 7 6 10 3 3 3 2 5 4 3 2 2 2 2 3 3 2 2 2 9 8 2 2 2 3 4 23 3 9 2 2 2 2 2 2 2 3 4 4 2 2 2 2 2 3 5 3 3 2 2 3 3 2 2 3 4 3 2 2 2 2 2 2 2 2 2 8 5 2 2 2 2 3 2 4 4 9 6 9 49 6 3 6 5 2 21 7 8 100 5 0 2 4 2 1 5 10 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 4 4 4 5 6 10 50 57 7 4 5 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 89 88 dd 1H J 17 41 \| 86 86 d 1H J 49 \| 81 80 dt 1H J 20 84 \| 80 80 d 1H J 82 \| 77 76 s 1H \| 75 74 dd 1H J 41 84 \| 74 74 s 1H \| 72 72 t 1H J 24 \| 72 72 dd 1H J 24 81 \| 69 69 d 1H J 49 \| 39 39 s 3H \| 39 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)N1C(=O)C(=NNc2ccc(S(N)(=O)=O)cc2)c2cc(O)ccc21	ir: 7 7 5 16 4 4 14 10 1 10 1 5 31 10 4 3 3 9 10 3 3 2 2 4 6 2 3 2 2 1 1 2 2 1 1 3 2 3 5 4 1 1 1 0 2 2 2 1 1 2 2 1 3 12 15 10 25 5 2 2 2 2 22 4 2 1 2 2 2 3 4 3 2 4 5 3 2 7 7 19 12 26 36 16 36 44 32 47 14 14 10 3 3 4 3 3 6 8 11 10 4 3 3 1 4 2 2 5 3 7 18 7 2 9 4 8 13 27 15 30 19 10 1 3 2 5 3 2 1 1 2 1 1 1 6 5 1 1 1 1 1 1 3 10 1 1 2 1 7 15 4 3 4 4 2 23 4 3 1 1 1 1 2 21 2 0 1 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 3 0 2 2 1 1 1 2 2 2 2 2 3 2 4 4 9 53 5 14 3 5 2 3 5 66 9 5 1 1 1 1 1 2 2 15 53 6 7 4 11 73 100 19 6 5 1 3 2 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 s 1H \| 79 78 m 2H \| 76 76 m 2H \| 74 74 d 1H J 84 \| 72 72 s 2H \| 72 71 d 1H J 21 \| 70 69 dd 1H J 21 83 \| 48 47 p 1H J 45 \| 14 13 d 7H J 46	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1nc(=O)c(-c2cccc(Cl)c2)nn1C	ir: 9 9 4 5 9 5 4 11 9 7 8 13 7 5 3 4 6 6 9 27 6 4 4 4 3 4 19 4 4 8 7 6 24 19 6 5 4 3 4 6 3 4 4 3 3 7 10 18 8 100 4 10 5 0 3 6 3 1 6 6 5 2 3 5 4 2 8 12 24 7 4 5 4 3 4 4 4 6 5 6 5 4 8 9 4 3 5 4 9 20 9 4 3 4 4 4 4 5 11 8 3 11 16 34 59 6 6 4 4 4 4 5 3 4 10 9 8 8 11 8 7 5 5 52 63 18 7 14 8 6 5 5 4 12 15 5 4 5 87 4 7 56 26 4 4 4 4 3 3 4 4 4 44 18 4 5 12 9 4 2 3 7 14 4 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 4 3 3 3 3 3 3 4 3 3 3 3 3 3 4 4 4 3 4 5 4 3 3 5 4 3 4 5 7 4 5 8 22 10 23 39 38 7 6 4 4 4 4 7 6 4 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 80 80 ddd 1H J 12 21 75 \| 78 78 t 1H J 21 \| 75 74 dd 1H J 74 81 \| 74 74 ddd 1H J 13 22 81 \| 36 36 s 3H \| 26 26 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)C1(CCCCI)CC1	ir: 7 8 5 3 1 3 12 12 6 8 8 5 7 9 8 37 5 10 3 3 4 6 3 2 2 17 9 2 2 3 3 2 2 3 4 7 12 6 8 9 7 10 11 4 3 11 6 5 7 11 4 1 4 4 3 0 2 2 5 4 5 17 13 9 2 4 3 2 6 4 3 1 2 4 4 13 5 3 2 1 2 3 1 2 3 5 8 8 13 4 3 12 11 12 7 13 5 13 3 4 8 9 3 6 16 35 9 23 15 8 4 5 7 5 4 4 6 6 7 47 13 20 6 8 14 38 28 14 17 27 15 25 8 6 4 3 3 2 2 4 4 4 4 8 18 53 31 9 10 5 5 13 7 2 2 6 3 1 2 6 4 1 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 3 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 3 2 2 3 2 2 2 3 2 1 1 3 2 2 2 4 6 4 8 10 12 11 6 6 4 5 11 38 9 28 100 18 8 5 4 13 4 14 10 4 2 2 3 4 2 2 2 3 2 2 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 32 31 t 2H J 50 \| 19 17 m 5H \| 15 15 p 2H J 70 \| 15 14 s 8H \| 14 13 m 2H \| 11 11 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(C=CCCCc1cncnc1)N1CCN(c2ccc(Br)cc2)CC1	ir: 12 23 27 12 11 7 4 11 14 5 4 8 8 4 8 8 13 8 6 4 2 1 4 4 7 34 26 12 4 4 6 4 4 3 3 20 61 31 17 12 48 22 6 7 7 15 6 2 3 8 4 5 12 47 34 13 9 11 9 4 8 9 10 9 24 16 19 8 8 39 9 6 5 4 5 4 6 27 42 58 20 9 18 36 15 31 43 72 26 7 9 5 7 3 3 4 3 4 6 13 8 16 5 2 1 2 3 2 1 6 11 100 19 10 15 9 1 9 5 7 5 4 16 31 13 9 2 6 3 19 15 32 13 11 3 1 1 1 1 1 1 1 3 1 2 7 9 50 25 10 7 12 11 6 12 47 8 15 72 14 3 3 12 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 2 1 2 3 3 6 3 3 3 1 2 4 6 64 60 45 21 55 20 4 6 3 3 2 2 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 90 t 1H J 17 \| 84 84 dt 2H J 9 19 \| 74 73 m 2H \| 69 68 m 2H \| 66 66 dt 1H J 14 174 \| 64 63 dtt 1H J 9 67 173 \| 34 33 m 4H \| 32 31 m 4H \| 29 28 tt 2H J 8 97 \| 24 23 tdd 2H J 13 66 80 \| 19 18 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1c(CO)c2sc3ccccc3n2c1-c1ccc(Cl)cc1	ir: 5 5 12 10 7 7 8 7 8 16 13 8 3 5 18 8 11 9 4 4 3 3 4 2 3 2 2 1 2 2 2 3 2 3 3 3 2 3 4 3 14 24 59 4 2 3 6 1 2 4 3 0 5 25 100 11 3 3 5 9 7 2 3 5 4 3 3 3 8 11 4 2 2 2 2 3 1 1 3 4 3 5 4 7 3 9 28 20 32 10 13 11 44 46 8 12 8 5 2 2 3 2 1 4 2 2 2 3 3 2 1 2 3 2 2 2 2 2 1 2 3 5 2 3 3 10 2 2 2 1 2 3 14 1 1 2 8 5 19 2 3 5 5 2 5 6 2 2 14 7 9 9 4 1 2 2 2 1 2 4 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 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 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 2 2 2 1 2 2 2 2 2 3 2 3 6 5 19 20 54 17 7 6 19 8 8 13 17 5 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 82 82 dd 1H J 19 61 \| 80 79 dd 1H J 15 61 \| 76 75 m 2H \| 75 74 m 1H \| 74 74 m 2H \| 74 73 td 1H J 14 63 \| 50 49 d 2H J 55 \| 49 49 d 2H J 54 \| 39 38 t 1H J 55 \| 37 36 t 1H J 54	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Ic1ccc(N2CCCCC2)cc1	ir: 2 1 1 2 2 3 1 3 2 2 2 3 2 2 5 4 2 1 1 2 2 1 1 2 2 2 1 2 2 5 2 2 2 2 1 1 1 1 1 2 1 1 1 2 1 2 3 2 2 4 6 5 8 100 14 4 19 4 2 8 8 3 2 2 1 1 2 3 19 7 2 5 4 2 1 2 2 1 2 2 3 3 3 17 4 2 1 6 4 1 2 8 1 4 5 2 3 2 3 16 6 2 3 2 1 2 2 2 4 15 11 3 2 2 4 4 18 2 2 4 3 2 2 2 2 2 2 2 1 2 2 2 2 1 1 1 1 1 1 1 1 1 2 3 3 8 18 25 13 4 3 3 40 5 2 0 1 2 1 1 1 0 13 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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 1 2 2 1 1 2 2 2 3 4 3 3 2 2 3 2 2 6 14 11 33 39 15 6 8 4 3 2 4 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 76 75 m 2H \| 68 68 m 2H \| 34 34 m 4H \| 17 15 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1	ir: 0 3 6 5 14 10 6 3 1 3 4 2 2 21 7 2 0 3 4 2 1 3 3 1 1 3 3 2 2 4 6 16 5 4 3 1 2 3 3 1 2 3 2 1 2 7 5 7 11 11 2 0 2 4 2 1 6 4 2 3 5 5 2 3 14 12 5 6 8 5 2 1 3 4 3 4 4 14 36 35 8 3 23 21 100 23 16 10 11 4 1 2 5 7 1 2 6 6 3 15 9 3 1 3 4 2 1 2 4 2 0 2 4 2 0 2 4 3 3 3 4 2 4 7 5 2 1 3 4 3 1 3 3 1 1 3 3 2 3 13 4 1 1 3 3 1 1 3 3 1 1 5 3 1 2 3 2 1 2 3 2 1 2 3 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 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 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4 2 2 4 5 6 10 10 9 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 78 77 m 2H \| 76 76 m 1H \| 76 75 m 1H \| 32 31 m 4H \| 26 25 m 4H \| 23 23 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(c1cccc2cc(C3=NCCS3)[nH]c12)S(=O)(=O)c1cccs1	ir: 1 1 1 0 0 1 5 7 8 4 11 2 12 24 18 2 1 2 0 7 1 1 11 2 3 1 1 1 1 1 0 1 1 1 0 2 8 1 1 41 12 5 21 8 4 1 3 1 2 2 3 9 7 0 0 1 0 0 0 1 1 0 3 25 2 4 1 3 4 15 2 3 2 1 2 3 7 1 1 2 4 12 10 12 9 11 15 100 7 3 1 0 0 14 2 17 1 1 2 35 0 2 6 4 1 3 32 2 1 2 9 28 3 1 1 1 1 1 2 2 1 3 2 2 4 2 1 1 0 3 7 5 19 13 3 1 1 5 8 40 4 1 0 2 18 15 2 1 1 1 3 1 1 1 0 1 0 1 1 1 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 1 2 2 4 4 3 2 41 17 17 36 47 8 0 1 1 1 0 0 0 0 1 0 1 1 0 1 1 1 2 3 3 5 7 10 11 21 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 96 96 s 1H \| 76 75 dt 1H J 20 71 \| 75 75 dd 1H J 17 70 \| 74 73 m 3H \| 73 73 d 1H J 21 \| 72 71 dd 1H J 51 71 \| 41 40 m 2H \| 36 36 dd 2H J 43 52 \| 35 35 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C(=O)N2CC3CCN3C(=O)C2C)cc2nc(NCc3cc(Cl)ccn3)oc12	ir: 5 8 11 9 9 8 10 9 7 13 32 22 15 21 31 24 5 20 12 8 12 8 7 10 7 7 9 5 3 9 9 9 7 11 11 4 9 11 5 3 11 7 13 3 3 9 4 1 3 8 17 3 8 11 9 4 3 6 3 3 5 5 8 10 12 10 32 19 26 12 7 7 6 6 9 4 8 6 3 6 6 8 2 2 5 4 2 4 8 9 3 2 5 4 1 3 6 7 4 7 9 10 2 5 7 5 3 5 12 6 13 8 9 6 2 3 6 15 9 12 4 5 10 13 18 21 11 5 12 8 9 10 17 6 10 12 13 8 7 7 17 11 5 15 26 45 17 81 12 35 3 5 6 1 2 6 4 2 8 21 5 1 6 5 3 0 3 5 3 0 3 6 2 0 3 5 3 0 3 5 2 0 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 1 1 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 1 2 5 3 0 3 5 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 4 3 1 2 4 3 2 2 4 3 1 2 4 4 2 3 5 4 2 4 9 8 3 5 7 5 4 10 12 11 22 35 14 4 2 4 6 3 1 3 5 2 2 4 5 3 2 4 4 2 2 4 7 4 8 18 100 17 7 5 5 2 2 4 4 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4; 1HNMR: 84 84 d 1H J 35 \| 79 79 d 1H J 22 \| 75 75 d 1H J 22 \| 73 72 dt 1H J 9 21 \| 71 71 dd 1H J 20 35 \| 61 60 t 1H J 52 \| 49 48 m 3H \| 41 40 tt 1H J 38 51 \| 40 39 dd 1H J 37 107 \| 39 38 s 2H \| 37 36 m 2H \| 36 35 dt 1H J 85 110 \| 22 21 m 1H \| 19 18 dtd 1H J 51 84 113 \| 13 13 d 3H J 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1	ir: 5 10 5 10 2 2 1 3 4 9 7 2 2 3 9 56 1 3 2 1 1 1 5 2 2 5 28 3 70 11 7 4 5 3 3 2 4 11 4 22 5 11 5 12 25 12 17 8 6 4 37 5 3 6 7 29 31 10 5 3 4 3 4 2 1 1 1 1 1 0 8 2 1 2 1 1 1 1 3 1 1 1 1 1 1 1 1 1 2 4 1 1 3 1 1 1 4 18 5 4 1 1 1 2 1 48 1 1 1 6 2 5 2 2 4 6 16 56 4 5 5 6 6 2 2 6 12 7 4 10 11 7 3 1 0 2 2 1 0 3 4 0 17 65 12 6 4 3 8 12 8 7 20 28 12 15 2 2 1 1 1 1 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 2 2 6 2 1 1 1 2 2 6 38 15 3 12 17 7 3 1 1 2 1 1 1 1 3 1 1 1 1 1 2 2 1 2 2 2 2 8 20 100 18 18 4 3 2 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 99 99 s 1H \| 80 79 m 2H \| 76 76 m 2H \| 63 62 d 1H J 77 \| 46 45 dt 1H J 43 77 \| 30 29 dd 1H J 42 117 \| 28 27 dd 1H J 42 117 \| 16 16 s 8H \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1NCCn2c(Br)nnc21	ir: 6 28 38 26 13 29 43 21 10 35 39 32 61 65 98 16 9 29 33 18 10 28 32 15 12 31 41 25 27 34 29 12 14 31 28 11 15 32 27 9 16 35 37 0 47 60 39 49 32 76 39 14 32 38 29 8 25 36 22 7 25 38 22 9 24 35 22 17 32 49 26 15 31 38 18 12 36 38 29 14 27 32 17 14 28 28 14 14 29 27 13 16 31 28 16 19 31 25 11 18 34 27 10 20 43 30 24 22 36 25 32 35 57 30 34 45 60 98 62 90 68 26 21 23 42 38 29 45 41 28 19 46 33 20 14 27 30 19 16 28 28 15 16 29 37 17 20 29 26 12 16 29 25 12 17 30 24 11 18 31 23 10 19 32 22 9 20 33 21 8 20 33 20 8 21 33 20 9 22 32 19 10 23 30 18 11 24 30 17 12 25 29 16 13 26 28 15 14 26 27 14 15 27 26 14 16 28 25 13 17 29 24 12 18 30 23 11 19 30 23 11 19 31 22 10 20 32 21 9 21 32 20 10 21 31 19 11 23 30 18 12 23 29 18 12 24 28 17 13 25 28 16 14 26 27 15 15 26 26 15 16 27 25 14 17 28 24 14 18 31 24 13 19 31 24 14 20 31 23 14 23 34 23 11 24 41 21 13 23 31 21 13 22 30 20 14 24 29 20 15 24 33 20 16 25 30 92 100 82 35 17 15 26 27 15 15 27 25 14 16 27 25 14 17 28 24 13 18 28 23 13 19 29 22 12 19 30 21 11 20 30 21 11 21 30 20 11 21 29 19 12 22 29 19 13 23 28 18 14 23 27 17 15 24 26 17 15 25 26 16 16 25 25 16 17 26 24 15 17 26 24 14 18 27 23 14 19 28 22 13 19 28 22 13 20 29 21 12 21 29; 1HNMR: 46 45 dq 1H J 52 61 \| 44 42 m 2H \| 33 33 m 1H \| 32 31 m 2H \| 17 17 d 3H J 51	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1ccc2c(-c3ccc(F)cc3)cc(C(=O)O)cc21	ir: 1 1 1 1 1 1 1 1 2 3 2 2 3 8 1 4 5 4 2 3 6 5 14 40 7 2 2 2 4 1 1 32 46 3 2 1 1 1 6 1 2 16 18 2 1 1 1 1 1 0 1 2 1 0 3 29 72 5 2 0 1 2 2 1 1 1 3 12 20 4 2 2 2 1 2 3 2 24 24 2 2 2 13 2 3 4 5 1 1 1 1 2 2 2 3 2 1 1 2 4 8 3 2 1 1 1 1 1 1 1 1 1 1 23 31 2 2 2 2 1 1 3 3 5 3 2 1 1 1 1 6 1 1 2 7 1 1 1 1 1 1 2 3 4 37 11 2 2 2 5 6 4 2 3 3 2 2 4 5 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 4 4 5 23 43 19 9 10 9 4 1 4 4 100 9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 82 m 2H \| 75 75 m 2H \| 73 73 dd 1H J 8 51 \| 73 72 m 2H \| 70 69 d 1H J 51 \| 38 37 d 3H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(O)Cn1ccc2c1-c1cc(Cl)ccc1C2	ir: 6 6 8 7 8 6 2 4 6 7 4 3 4 2 1 1 1 1 3 2 3 5 2 2 1 4 3 1 2 7 2 2 1 3 3 1 2 2 4 2 2 3 1 1 2 3 1 1 3 28 38 14 19 33 6 1 1 3 1 8 10 0 1 1 4 5 4 6 17 27 12 3 5 5 1 2 3 5 1 0 3 3 0 0 1 4 3 8 13 100 65 35 9 7 8 3 2 3 9 2 0 0 2 2 1 3 3 3 2 1 1 1 1 3 2 1 2 6 8 1 2 4 3 8 9 2 2 1 0 0 2 5 4 1 1 10 2 0 0 0 1 4 1 11 17 2 2 2 11 1 13 22 5 12 3 4 2 2 0 0 0 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 5 7 3 2 2 1 4 4 5 28 11 14 45 74 8 20 24 22 7 22 35 3 3 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 dd 1H J 9 20 \| 73 72 m 2H \| 69 69 dt 1H J 9 51 \| 62 62 dt 1H J 8 52 \| 41 40 m 3H \| 39 38 ddd 1H J 8 45 126 \| 37 37 ddd 1H J 8 45 126 \| 32 32 d 1H J 49 \| 13 12 d 3H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nccn1CCCC1CCN(C=O)CC1	ir: 4 3 2 3 3 2 1 1 3 2 1 2 2 2 4 2 8 1 1 2 2 1 1 1 3 2 1 2 1 1 1 1 1 2 2 9 13 65 14 13 11 5 2 6 4 5 7 7 3 0 2 7 4 2 8 14 4 5 6 4 2 2 3 3 3 3 5 3 3 1 4 4 1 6 2 2 2 1 5 8 7 7 17 4 4 9 3 5 1 8 40 6 21 5 5 12 9 4 16 21 15 18 51 47 18 51 19 21 11 35 14 16 8 15 12 27 17 26 13 24 17 12 15 12 10 10 5 5 6 21 8 8 23 8 7 3 3 3 3 1 3 3 2 2 1 2 2 1 1 2 1 1 1 2 3 0 1 1 1 0 1 1 1 0 1 1 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 2 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 2 1 0 1 1 1 0 1 2 1 0 1 1 0 0 1 1 1 1 1 2 1 1 2 2 1 1 3 3 3 4 12 7 24 17 19 21 15 17 12 20 7 23 46 100 79 31 26 33 27 36 9 8 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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: 80 80 p 1H J 9 \| 70 69 dt 1H J 8 39 \| 69 69 d 1H J 40 \| 40 39 td 2H J 8 71 \| 36 35 dddd 2H J 9 59 86 121 \| 33 32 dddd 2H J 9 59 86 119 \| 25 24 s 2H \| 19 18 m 2H \| 18 17 tt 2H J 71 82 \| 16 15 m 4H \| 14 13 td 2H J 55 81	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(=O)n(CC=O)c2cc(-c3ccccc3)ccc12	ir: 10 9 5 4 3 4 2 3 4 3 4 7 3 2 3 3 10 4 3 3 5 3 2 3 3 3 2 5 4 6 22 11 7 3 3 5 4 3 5 6 9 74 21 7 4 5 5 5 2 4 4 3 4 21 49 15 4 0 4 3 4 3 4 5 15 6 12 5 10 25 74 6 5 5 3 4 4 11 5 5 7 3 3 3 2 2 2 2 2 3 3 3 3 2 2 3 3 2 3 3 4 2 5 9 21 9 5 4 4 3 2 5 6 13 3 7 11 11 2 7 4 5 11 10 4 4 5 5 3 3 9 3 4 5 6 9 5 3 4 3 9 13 11 19 4 6 5 1 26 7 20 16 8 2 4 5 7 3 49 3 5 100 10 4 3 5 9 8 4 2 2 3 3 2 2 3 2 2 2 3 2 2 2 2 2 2 2 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 5 2 3 3 3 4 5 3 3 4 4 3 6 13 14 8 23 39 37 12 14 7 8 5 3 3 2 4 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 98 98 t 1H J 45 \| 77 77 d 1H J 89 \| 77 76 d 1H J 22 \| 75 75 m 2H \| 75 74 m 3H \| 74 73 m 1H \| 65 64 q 1H J 14 \| 47 47 d 2H J 44 \| 25 24 d 3H J 13	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)CCNC(=O)c1c[nH]c(C=C2C(=O)Nc3cccc(-c4ccc(Br)cc4)c32)c1C	ir: 8 5 3 5 6 2 1 3 6 10 17 7 4 2 4 4 9 7 1 4 6 8 10 13 6 6 3 4 4 2 1 3 3 1 1 3 3 0 2 12 24 11 12 21 31 15 14 24 20 12 4 9 4 6 20 14 5 3 2 3 2 1 2 3 2 1 2 4 7 2 3 3 2 3 2 4 2 1 2 3 3 2 3 8 16 13 8 3 1 1 3 3 1 8 5 5 2 4 8 2 2 3 3 3 1 8 5 4 7 8 5 3 6 3 10 10 3 4 4 4 3 9 7 10 1 4 4 3 2 4 9 7 0 8 19 13 8 5 6 2 4 22 13 16 13 23 26 6 5 10 10 2 10 4 3 4 8 7 2 11 100 8 4 3 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 2 1 2 3 2 2 2 3 2 1 3 7 8 8 10 17 23 4 7 13 3 2 2 3 2 1 2 3 1 1 2 2 1 5 3 11 8 8 9 14 49 62 19 14 9 4 3 2 0 1 2 2 1 1 2 2 1 1 2 1 0 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 81 80 t 1H J 46 \| 77 76 m 6H \| 75 75 m 2H \| 75 74 m 2H \| 36 36 q 2H J 46 \| 31 31 s 3H \| 29 28 t 2H J 46 \| 25 25 q 4H J 69 \| 11 11 t 6H J 69	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccc2c(c1)sc(=NC(=O)c1ccc(C)cc1)n2C(C)C(=O)O	ir: 3 2 2 3 3 4 2 2 2 3 7 3 5 6 7 9 14 15 14 26 83 97 19 13 25 15 12 7 5 3 2 3 3 2 4 20 6 6 3 6 9 8 11 12 4 3 4 4 5 2 2 1 3 7 17 24 11 8 2 3 1 1 2 2 1 1 5 4 3 4 7 4 3 4 6 6 11 20 52 46 19 6 10 13 15 9 9 6 2 3 6 3 3 2 3 3 1 3 6 2 3 2 4 9 3 1 2 1 0 2 4 3 3 6 12 24 35 20 8 8 6 7 9 4 6 18 7 6 4 4 6 5 2 2 2 1 1 2 3 4 20 56 12 15 25 37 16 3 5 19 6 8 6 7 4 1 1 1 1 0 1 2 5 1 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 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 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 1 2 1 1 0 1 1 1 2 2 5 4 3 3 6 8 8 28 23 13 7 3 5 1 2 4 8 44 100 21 9 3 2 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 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; 1HNMR: 78 78 m 2H \| 75 75 dt 1H J 9 20 \| 74 74 dd 2H J 9 77 \| 73 72 d 1H J 83 \| 71 70 ddt 1H J 9 19 82 \| 47 46 q 1H J 70 \| 27 26 qt 2H J 9 73 \| 23 23 d 3H J 9 \| 13 12 t 3H J 72 \| 12 11 d 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(c2ccnc(-c3ccsc3)c2)CC1	ir: 5 3 0 2 4 1 1 2 3 2 1 2 3 2 3 9 4 2 2 4 9 3 3 4 6 4 3 7 7 4 7 16 12 6 12 3 4 2 1 5 7 7 21 5 6 22 15 18 4 3 1 3 2 0 3 5 9 29 8 19 13 1 5 7 8 2 4 7 2 26 20 2 3 6 2 3 14 3 3 5 7 3 3 4 8 4 10 18 16 7 3 11 47 12 5 6 4 14 6 18 17 10 6 7 7 3 3 3 4 6 17 12 10 18 41 4 2 6 10 9 7 7 6 13 20 8 11 9 7 8 10 3 4 6 8 4 4 13 19 11 7 5 6 12 10 4 3 4 2 4 4 7 45 11 3 1 2 2 16 36 2 2 2 0 1 2 2 10 2 3 1 0 6 3 1 0 2 2 1 0 1 3 20 2 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 1 1 2 2 0 1 2 1 0 1 3 1 0 2 3 1 1 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 2 3 2 3 4 9 4 7 9 18 12 4 5 8 7 1 12 100 36 40 79 36 35 15 10 6 4 2 3 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 0 1 2 1 0; 1HNMR: 85 84 d 1H J 49 \| 78 78 t 1H J 17 \| 76 76 dd 1H J 16 58 \| 74 74 dd 1H J 16 59 \| 71 70 d 1H J 22 \| 66 66 dd 1H J 22 49 \| 33 32 t 4H J 46 \| 32 32 dt 2H J 48 112 \| 29 28 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CCC2(CC1(CCCCCCCCCCCCCCO)S(=O)(=O)c1ccccc1)OCCO2	ir: 0 4 6 2 9 13 6 4 12 11 16 12 4 10 8 12 10 5 12 15 4 9 6 1 1 3 4 1 1 9 8 17 42 8 5 3 3 10 11 10 14 48 3 3 4 3 2 3 4 3 3 1 2 3 2 1 2 6 5 2 4 10 6 27 24 8 3 8 8 9 4 3 3 4 2 7 16 9 3 7 8 9 3 2 95 38 23 54 22 11 6 9 6 11 11 7 5 6 4 19 9 5 6 4 5 3 8 9 10 8 7 6 6 7 5 6 9 9 5 25 9 16 18 7 14 4 1 5 7 4 2 6 6 4 45 24 3 3 3 3 4 3 11 5 4 13 8 5 2 1 1 2 3 1 1 2 2 0 2 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 4 3 3 4 2 7 10 19 6 9 1 9 5 4 9 12 49 66 40 21 58 23 26 14 5 14 43 56 100 17 16 11 4 3 5 3 4 6 6 3 5 4 3 2 2 3 4 3 3 3 3 2 2 3 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 78 78 m 2H \| 77 76 m 1H \| 76 75 m 2H \| 40 39 m 2H \| 39 38 m 2H \| 36 35 q 2H J 58 \| 27 27 t 1H J 59 \| 25 25 s 1H \| 21 20 m 1H \| 20 18 m 2H \| 18 17 m 2H \| 17 16 dt 1H J 74 143 \| 16 14 m 4H \| 14 12 m 22H \| 10 9 d 2H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)CCCNc1ccc(C#N)cn1	ir: 7 5 5 7 10 5 3 7 9 6 7 10 11 6 10 6 10 9 6 11 7 6 4 9 11 5 8 16 10 7 5 7 4 2 5 7 10 34 30 24 11 11 5 5 4 1 2 4 3 1 3 5 7 6 13 12 5 3 4 5 3 1 4 6 3 2 4 4 6 3 5 7 2 1 3 4 2 2 4 4 2 1 3 3 2 2 4 5 3 6 12 6 3 3 5 3 2 4 7 7 5 3 4 3 1 4 8 6 3 4 11 18 13 15 12 6 4 7 9 7 9 14 24 17 9 13 7 8 12 13 9 6 6 4 5 4 4 2 4 6 10 6 30 95 100 92 41 15 24 13 12 6 3 5 4 1 4 7 8 8 9 4 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 27 33 19 4 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 4 2 0 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 1 3 3 2 2 3 3 2 3 8 4 2 5 7 5 3 2 5 3 7 5 12 16 7 16 17 8 12 5 5 3 1 3 4 3 2 3 4 2 2 3 4 3 2 4 7 10 9 11 27 46 20 29 22 20 8 9 9 4 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 87 87 d 1H J 19 \| 81 80 dd 1H J 19 80 \| 69 69 d 1H J 80 \| 57 57 t 1H J 48 \| 35 34 td 2H J 47 65 \| 24 23 t 2H J 73 \| 20 19 m 2H \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

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