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DeerEyeRain
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train · 715k rows

Output stringlengths 5 127	Input stringlengths 850 1.64k	Instruction stringclasses 1 value
O=C(C=Cc1cccnc1)NCCCOC1CCN(Cc2ccccc2)CC1	ir: 4 4 4 6 2 6 5 11 1 2 3 4 3 4 5 3 1 3 3 2 5 9 5 8 5 41 21 32 69 34 25 17 17 22 8 3 9 22 30 23 24 2 10 4 7 12 8 14 37 69 42 20 14 11 7 4 5 8 5 10 5 5 5 8 16 10 8 8 13 11 9 10 11 8 5 10 12 8 11 10 31 12 5 5 3 9 7 35 10 26 3 3 4 4 3 6 5 7 3 17 10 5 3 2 7 6 12 4 6 5 7 20 17 12 14 5 10 8 2 8 13 21 13 12 5 6 4 8 7 6 5 7 4 5 38 26 27 11 6 37 16 11 10 20 22 25 22 100 54 6 2 36 8 12 3 22 26 14 4 6 3 0 15 6 4 1 2 4 2 1 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 2 0 1 3 1 0 1 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 1 1 3 3 0 3 5 5 2 3 5 3 3 2 4 6 9 30 44 30 80 44 14 12 9 3 2 3 2 2 3 2 1 2 2 2 4 4 4 3 5 16 19 20 21 31 24 11 5 3 3 2 2 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 88 88 t 1H J 16 \| 86 85 ddd 1H J 14 21 37 \| 80 79 m 1H \| 77 76 m 1H \| 75 74 t 1H J 49 \| 74 73 dd 1H J 38 78 \| 73 72 m 5H \| 67 66 d 1H J 167 \| 37 37 p 1H J 43 \| 35 35 d 2H J 8 \| 35 34 t 2H J 61 \| 33 32 td 2H J 50 60 \| 28 27 ddd 2H J 55 82 121 \| 26 26 ddd 2H J 55 82 121 \| 20 18 m 4H \| 18 17 dddd 2H J 43 55 82 127	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C2CCC2)c(C(=O)NN)cc1C#N	ir: 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 3 1 0 2 1 0 0 1 1 0 1 3 3 1 1 6 20 5 2 2 2 8 3 7 4 17 5 3 1 2 3 2 1 0 0 1 1 0 0 2 1 0 1 1 2 2 4 8 10 7 6 9 17 6 6 6 5 1 1 1 0 0 1 1 1 2 4 5 1 3 3 2 1 8 14 2 0 1 2 1 1 1 1 1 2 6 3 5 1 1 1 1 1 2 2 1 0 1 1 0 1 1 1 1 1 0 1 2 4 2 3 2 0 2 1 5 15 100 14 4 2 1 1 0 1 4 5 1 7 18 3 6 3 4 6 22 3 1 2 4 1 1 1 0 0 1 2 0 1 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 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 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 2 3 1 2 2 2 4 3 4 4 25 4 4 1 2 1 0 1 1 1 1 1 1 3 39 92 16 4 2 4 2 3 17 59 25 29 6 5 2 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0; 1HNMR: 91 90 t 1H J 41 \| 80 80 s 1H \| 73 73 m 1H \| 44 44 d 2H J 40 \| 33 32 m 1H \| 24 24 s 2H \| 20 19 m 2H \| 18 17 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CC(O)c1c(-c2ccc(F)cc2)nn2cc(C(F)(F)F)ccc12	ir: 5 11 5 5 2 2 3 3 3 2 3 3 8 16 7 3 10 10 7 3 16 41 12 13 5 2 3 3 2 3 3 5 3 4 2 12 5 3 2 3 2 2 2 3 3 1 2 4 2 6 3 8 5 3 7 15 21 20 13 20 48 3 5 3 5 21 37 8 12 14 5 2 6 4 11 13 3 11 4 4 4 7 11 15 77 53 27 16 22 13 5 5 3 4 3 2 4 3 18 97 19 5 0 2 3 2 1 2 3 8 39 90 18 6 8 5 9 5 6 7 5 2 6 6 7 7 13 2 3 2 9 97 94 9 16 34 3 16 3 2 2 2 2 2 18 11 5 3 9 27 7 10 8 5 14 2 2 1 1 1 1 5 24 19 2 1 2 2 1 1 1 2 1 1 1 2 5 4 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 2 2 1 1 2 3 3 5 4 4 3 4 4 3 4 8 9 10 29 100 30 33 26 27 14 6 15 62 25 8 8 3 5 5 4 38 12 3 4 4 3 4 2 3 4 3 2 3 3 2 1 2 2 2 1 1 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 92 91 p 1H J 13 \| 80 80 d 1H J 119 \| 78 77 m 2H \| 72 71 m 1H \| 72 71 m 1H \| 71 71 dp 1H J 13 119 \| 59 58 dd 1H J 30 43 \| 48 48 d 1H J 42 \| 25 25 d 1H J 29	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1c2c(cncc2-c2ccc(OCCOC3CCOCC3)cc2)C=CC1C(=O)O	ir: 2 1 1 1 1 1 2 2 2 2 1 8 3 4 4 3 3 5 3 7 8 4 36 10 8 3 1 1 1 1 1 1 1 1 2 4 1 1 1 2 2 1 2 3 1 1 1 1 1 1 1 0 2 3 11 1 3 7 7 4 1 0 2 3 2 2 2 2 4 1 2 1 3 2 3 6 4 3 11 9 4 3 3 4 3 2 1 1 8 2 2 1 1 2 3 2 1 2 1 0 0 0 1 0 0 1 1 1 1 1 1 2 5 5 3 4 2 3 4 3 4 4 3 3 3 3 1 2 1 1 0 1 0 0 0 1 2 10 3 1 2 4 3 8 2 2 7 2 1 1 1 6 10 1 1 3 16 3 1 0 0 2 2 3 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 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 1 2 1 1 1 3 4 2 28 19 7 4 2 1 2 2 2 4 100 37 11 4 2 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 d 1H J 18 \| 85 84 d 1H J 16 \| 74 74 m 2H \| 70 69 m 2H \| 69 69 dd 1H J 19 102 \| 62 61 dd 1H J 73 101 \| 46 46 dp 1H J 15 73 \| 41 41 t 2H J 51 \| 40 39 p 1H J 49 \| 38 38 t 2H J 51 \| 38 37 ddd 2H J 38 65 112 \| 36 36 ddd 2H J 38 65 110 \| 31 31 d 3H J 15 \| 19 18 dddd 2H J 38 49 64 141 \| 17 16 dddd 2H J 38 49 64 141	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCC(=O)OC1=CC(=O)C(C)(C)c2ccc(Br)cc21	ir: 3 1 3 2 2 2 1 2 3 2 2 1 2 2 1 8 2 3 1 1 6 6 1 1 1 3 2 1 0 2 1 2 1 1 6 3 6 3 2 6 3 3 3 1 1 1 1 1 1 1 1 1 1 9 7 22 3 1 1 2 2 6 4 5 6 5 9 2 2 1 1 1 1 3 3 6 23 20 6 2 2 2 4 1 1 1 1 1 2 2 1 2 8 5 2 2 5 3 5 5 5 3 2 3 1 21 2 1 2 2 2 3 7 4 6 7 6 10 13 6 8 16 17 6 3 2 1 2 4 3 8 6 3 4 2 2 2 15 2 3 3 2 14 37 44 16 12 4 2 15 4 4 3 3 4 3 2 1 13 100 3 5 1 3 5 2 2 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 0 0 0 0 0 0 0 0 0 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 2 5 2 3 2 3 3 2 2 3 1 5 8 14 24 31 14 32 7 5 2 5 1 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 d 1H J 24 \| 76 76 dd 1H J 26 81 \| 74 73 d 1H J 81 \| 64 64 s 1H \| 37 36 s 3H \| 28 27 m 2H \| 27 26 m 2H \| 15 15 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#Cc1cc(CNC(=O)C=Cc2ccc(C(F)(F)F)nc2OCC(C)C)cc(F)c1NS(C)(=O)=O	ir: 3 5 8 7 1 2 3 2 3 1 1 2 2 3 1 1 2 2 3 2 3 6 4 5 5 2 2 2 4 6 3 2 4 4 8 15 15 8 4 11 9 6 8 11 4 3 3 6 7 2 2 2 2 5 8 6 4 4 3 2 7 1 3 5 5 3 5 12 6 7 20 2 4 5 13 2 2 3 3 2 4 4 5 4 5 6 5 74 96 10 10 4 5 10 9 8 19 26 10 10 8 3 3 6 5 3 2 3 2 3 3 4 1 2 31 77 3 3 10 4 4 3 5 6 5 11 3 2 1 1 1 1 1 1 1 1 2 5 18 4 8 100 6 2 12 15 12 33 40 2 5 6 2 2 2 2 2 4 4 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 1 1 1 1 2 2 2 5 5 18 3 17 28 19 8 2 2 2 1 1 1 1 2 2 1 2 2 0 5 3 2 2 3 5 5 12 14 18 27 34 26 9 5 3 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 78 d 1H J 108 \| 78 77 t 1H J 57 \| 77 75 m 3H \| 72 72 dt 1H J 9 20 \| 71 71 ddt 1H J 9 20 122 \| 66 66 d 1H J 167 \| 45 44 dt 2H J 9 57 \| 40 40 d 2H J 59 \| 33 32 s 1H \| 31 30 s 2H \| 21 20 dtt 1H J 59 72 145 \| 10 10 d 6H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCNC(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	ir: 1 3 2 4 3 3 4 9 11 4 6 5 6 7 10 6 8 6 16 12 9 8 7 4 4 3 1 4 1 2 1 2 2 2 3 1 4 10 4 7 8 4 10 41 4 8 7 3 5 5 1 1 2 1 1 1 1 1 1 2 1 1 1 2 2 2 0 0 1 0 2 1 2 1 1 1 1 2 2 2 2 1 1 0 1 2 3 6 15 49 30 17 12 5 6 38 16 6 6 6 10 3 1 2 1 3 14 7 3 3 3 6 5 3 2 1 1 2 2 3 3 2 1 1 3 4 2 2 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 2 2 3 3 5 15 8 3 3 12 2 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 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 1 1 1 1 2 1 1 2 2 1 1 1 1 5 5 3 2 3 9 29 30 42 8 5 18 100 17 7 1 2 1 2 1 0 1 1 1 2 3 6 9 8 6 5 4 1 1 1 1 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 63 62 t 1H J 50 \| 46 45 d 1H J 54 \| 43 42 d 1H J 51 \| 41 40 t 1H J 54 \| 40 39 m 2H \| 39 38 dt 1H J 53 115 \| 38 38 d 1H J 48 \| 36 35 qtd 4H J 11 49 92 \| 35 34 dd 1H J 53 126 \| 33 32 dd 1H J 51 126 \| 32 31 td 2H J 50 59 \| 29 28 s 2H \| 15 15 ddt 2H J 56 72 79 \| 13 12 m 10H \| 9 9 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1CCN(c2nc3ccc(NC(=O)c4c(C(=O)N5CCOCC5)cnn4C)cn3n2)C1	ir: 10 2 2 5 7 3 4 3 3 9 2 2 2 3 3 3 1 2 3 3 1 3 4 3 3 2 1 3 3 3 2 4 4 1 6 1 2 3 5 1 3 4 10 11 10 17 4 0 2 5 5 3 7 7 2 4 13 3 1 3 4 13 8 3 9 3 4 2 3 14 5 7 7 18 12 4 8 2 3 2 2 1 1 1 3 3 14 6 3 3 3 11 7 2 5 6 4 9 24 3 2 4 4 3 6 5 7 11 2 63 8 46 11 6 4 3 9 12 6 6 20 8 17 21 12 20 6 8 6 7 7 7 3 2 5 2 2 2 7 6 3 2 18 20 11 25 3 2 1 3 34 6 4 2 1 5 3 1 2 2 1 1 1 1 1 1 1 0 5 1 1 4 8 0 2 6 1 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 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 2 1 1 1 2 1 1 2 2 2 3 4 5 5 2 6 8 5 12 6 4 3 5 8 9 10 100 48 30 19 7 8 4 7 3 1 1 2 1 2 2 1 2 1 1 1 1 2 4 1 2 6 7 23 5 2 4 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 1; 1HNMR: 97 96 s 1H \| 89 89 d 1H J 15 \| 78 78 m 2H \| 77 77 d 1H J 91 \| 41 41 s 2H \| 40 39 m 3H \| 38 37 m 2H \| 37 36 m 8H \| 33 32 d 3H J 15 \| 23 22 dddd 1H J 35 62 81 126 \| 20 19 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)N1CCC(c2cccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)c2)C1	ir: 10 10 6 10 13 23 53 42 0 9 17 13 14 10 15 12 20 6 7 7 5 9 12 7 4 7 7 9 9 10 10 16 28 16 7 14 10 7 15 8 6 5 3 5 4 4 7 8 17 22 14 10 13 27 40 35 19 8 6 5 4 5 10 11 17 9 14 16 21 9 7 4 5 4 5 5 4 4 4 4 4 4 23 16 50 15 5 3 6 18 20 6 14 7 9 27 7 12 18 77 53 100 28 20 7 5 2 5 9 12 23 10 5 5 9 7 6 8 4 20 17 9 12 16 7 14 14 8 6 12 13 13 31 8 5 6 3 4 3 4 5 31 16 4 5 4 12 40 10 12 11 11 17 9 3 15 23 10 3 3 3 6 10 5 3 3 3 3 3 2 2 3 3 2 3 3 3 2 2 3 2 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 3 3 3 3 2 2 3 3 2 3 3 3 2 3 3 4 3 3 3 4 4 4 4 3 3 4 7 4 9 13 10 12 49 26 6 7 3 4 3 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 5 6 12 48 45 19 7 5 4 3 3 3 3 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 81 80 s 1H \| 77 76 m 2H \| 74 73 m 2H \| 73 72 m 2H \| 70 70 m 1H \| 70 69 m 1H \| 40 39 m 1H \| 37 36 m 2H \| 37 37 s 3H \| 36 35 ddd 1H J 51 69 122 \| 33 32 tt 1H J 34 43 \| 23 22 m 1H \| 20 19 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1cc(-c2ccc(OCc3cccc(Oc4ccccc4)n3)cc2)on1	ir: 4 29 10 12 8 11 6 8 6 4 9 7 18 10 18 31 10 6 5 2 2 5 6 1 1 1 3 3 3 7 5 7 4 8 9 2 5 11 7 4 12 59 11 5 7 19 36 17 4 6 4 2 7 5 67 16 5 3 3 3 4 1 1 2 9 4 3 7 11 16 11 6 12 7 3 4 3 4 7 14 87 54 11 12 2 2 1 2 6 3 7 7 4 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 4 2 1 1 1 1 2 1 1 2 1 4 3 2 1 0 1 2 1 2 4 5 2 5 17 4 13 27 26 7 4 6 17 9 5 2 4 5 5 9 8 8 10 5 51 22 3 2 3 1 0 1 3 4 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 0 1 3 3 0 4 13 16 68 100 24 21 4 3 2 1 7 39 8 3 2 1 1 1 1 1 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 78 77 m 2H \| 77 76 m 1H \| 74 74 m 2H \| 72 72 dq 1H J 9 76 \| 72 71 m 2H \| 70 70 tt 1H J 14 74 \| 70 69 m 2H \| 67 66 dd 1H J 12 78 \| 59 59 s 1H \| 52 51 d 2H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(cc1Cl)CCC2=O	ir: 1 4 7 4 3 4 5 7 15 46 68 27 9 5 5 4 3 13 5 2 3 6 5 2 2 5 10 13 13 3 3 2 2 4 4 3 4 9 6 3 4 4 3 3 3 3 3 4 10 14 8 1 3 4 2 0 2 5 3 1 7 25 46 22 5 6 13 10 87 68 21 8 5 2 3 2 2 2 2 2 2 3 2 5 4 2 2 2 4 5 4 6 100 39 0 1 4 4 7 3 4 2 1 2 5 16 3 2 3 2 1 3 6 9 12 5 6 3 2 12 25 9 6 3 4 22 2 10 11 10 2 2 2 3 5 47 16 8 5 4 4 9 8 7 4 2 2 2 2 4 8 50 62 4 3 5 2 0 1 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 1 3 2 1 2 3 3 2 3 3 4 6 14 5 3 3 3 4 4 16 62 58 17 42 33 18 17 4 2 4 3 2 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 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2; 1HNMR: 73 72 s 1H \| 72 72 t 1H J 9 \| 39 39 s 3H \| 31 31 m 2H \| 28 28 dd 2H J 57 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1nnc(N)s1	ir: 3 10 14 16 20 16 5 9 6 12 12 11 6 6 5 4 5 12 5 7 5 4 4 3 3 4 3 3 4 6 4 5 4 2 3 2 4 4 3 3 3 2 3 3 3 3 3 2 3 3 4 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 4 2 3 6 3 10 8 5 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 3 2 2 2 2 2 3 5 4 6 11 3 2 2 3 2 2 3 5 4 2 2 2 2 2 2 2 3 2 2 2 2 11 5 3 7 2 2 2 2 2 2 2 2 2 2 5 2 4 5 9 11 22 18 7 4 4 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 2 2 3 4 4 4 3 3 2 2 2 2 1 2 3 2 2 2 3 2 1 3 4 1 0 5 100 91 9 2 1 3 4 1 1 4 4 35 30 24 21 5 2 2 2 2 2 2 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 65 64 s 2H \| 44 44 q 2H J 64 \| 13 13 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCc1cccc(I)c1)c1ccc(-c2ccncc2)s1	ir: 2 2 9 4 5 2 2 3 3 5 3 3 6 10 2 1 1 2 1 7 8 12 10 7 3 2 3 3 8 16 27 10 17 17 13 40 33 26 8 19 8 2 8 2 3 19 50 9 5 4 2 2 1 1 2 3 2 0 2 11 1 1 1 10 6 2 2 3 5 2 2 4 10 12 6 2 6 12 2 1 17 1 5 25 50 7 1 2 1 1 0 1 1 7 12 5 1 2 7 1 1 1 1 2 2 7 2 1 2 1 5 17 10 2 2 1 4 2 3 4 8 6 7 5 23 13 4 1 0 1 2 1 3 22 11 4 2 2 18 33 13 3 3 6 50 61 30 26 5 3 2 4 16 3 3 0 1 2 4 6 8 4 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 1 1 0 0 0 1 1 0 3 1 1 1 1 2 2 2 5 4 8 16 25 100 58 14 11 5 2 4 2 1 1 1 1 1 2 2 1 1 1 1 2 1 3 7 16 31 31 23 4 3 2 1 2 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 86 m 2H \| 81 80 t 1H J 50 \| 79 78 d 1H J 69 \| 77 76 m 2H \| 76 75 m 2H \| 75 74 d 1H J 70 \| 73 73 ddq 1H J 10 21 78 \| 72 71 t 1H J 76 \| 45 45 dt 2H J 9 51	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(OCC)c(-c2ccc(F)cc2)c(OCOCCOC)c1	ir: 9 24 9 4 3 3 4 3 10 9 8 7 8 9 1 3 6 4 4 3 4 5 5 15 24 6 3 4 2 3 2 2 2 2 3 1 3 2 1 6 1 1 1 3 3 1 2 2 2 2 3 5 6 9 41 37 34 27 6 11 13 3 13 7 13 8 19 34 41 11 16 14 18 5 16 20 12 9 12 3 2 1 2 2 1 2 3 4 2 1 2 3 1 2 4 2 1 1 2 2 1 2 2 2 0 16 10 3 4 14 3 5 8 10 10 3 2 3 8 14 5 3 10 14 6 5 17 9 8 7 3 2 2 1 2 3 11 16 4 4 1 2 1 3 4 16 31 7 34 7 2 3 4 3 1 1 2 5 3 2 4 14 2 3 19 6 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 2 3 3 2 2 2 3 4 1 3 9 17 16 68 84 100 14 8 1 3 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 74 73 m 4H \| 72 72 m 2H \| 51 51 s 2H \| 44 44 q 2H J 64 \| 42 41 q 2H J 63 \| 38 37 t 2H J 47 \| 36 35 t 2H J 47 \| 34 34 s 2H \| 14 13 dt 6H J 63 147	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(CC(C)C)Nc1ccc2ccncc2c1	ir: 14 23 49 26 29 37 42 23 17 24 21 41 59 25 22 14 10 16 15 9 8 13 13 11 14 18 15 12 8 15 22 19 9 17 15 8 9 13 13 7 9 13 18 11 10 18 14 11 9 13 11 6 10 13 16 18 20 23 32 15 12 17 13 10 11 14 10 7 11 13 20 27 28 41 28 11 21 17 11 9 14 14 9 8 12 14 8 8 12 12 9 11 12 13 9 11 15 17 41 46 17 14 13 12 14 14 11 12 0 52 20 72 80 23 8 25 22 23 17 19 21 20 13 15 16 14 7 15 16 10 7 11 14 10 6 16 17 61 54 18 18 21 20 19 100 37 11 16 12 13 37 76 23 8 9 14 18 38 28 16 12 7 9 13 10 6 9 13 14 10 10 14 10 6 10 13 9 6 10 13 9 6 10 13 9 7 11 12 9 7 11 12 8 7 11 12 8 7 11 11 7 8 12 11 7 8 12 11 7 8 12 11 7 9 12 10 7 9 13 10 6 9 13 10 6 9 13 10 6 10 13 9 6 10 13 9 6 10 13 9 7 10 12 9 7 10 12 8 7 11 12 8 8 11 11 8 8 12 11 8 8 12 11 8 9 12 11 8 9 14 12 7 10 13 12 9 12 16 12 7 13 16 12 13 20 26 28 49 54 32 29 16 12 15 13 9 11 13 10 7 10 13 9 9 12 13 12 12 15 18 22 75 91 25 12 11 12 12 10 11 12 11 10 11 13 11 7 9 12 10 7 9 12 10 7 9 12 10 7 9 12 10 7 10 13 10 7 10 12 9 7 10 12 9 7 10 12 9 8 10 11 9 8 10 11 8 8 11 11 8 8 11 11 8 8 11 11 8 8 11 10 8 9 11 10 7 9 12 10 7 9 12 10 7 9 12 10 7 9 12; 1HNMR: 89 89 t 1H J 14 \| 85 84 dd 1H J 16 46 \| 76 75 m 2H \| 71 71 t 1H J 20 \| 68 67 m 1H \| 59 59 d 1H J 81 \| 42 42 dt 1H J 69 80 \| 37 37 s 2H \| 19 18 m 1H \| 18 17 m 1H \| 16 15 m 1H \| 9 9 d 3H J 66 \| 8 8 d 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(OCCCN)cc1	ir: 1 1 1 2 1 2 1 2 1 1 2 1 1 4 7 3 1 1 0 0 0 0 0 1 1 1 3 2 1 1 0 0 2 2 2 1 0 1 1 1 1 2 2 2 1 3 2 16 7 9 5 7 3 3 15 39 9 5 4 2 7 2 1 1 1 3 2 0 4 6 3 13 23 15 5 5 2 1 3 5 4 12 15 5 5 2 1 1 5 2 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 2 2 2 2 3 2 3 10 4 3 3 3 7 6 3 2 4 7 2 1 3 6 9 5 13 26 11 2 3 2 1 1 2 5 10 3 2 1 2 2 5 4 11 2 1 1 1 1 0 0 0 0 0 1 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 1 1 1 1 1 1 1 0 0 1 2 5 1 5 6 2 2 1 0 1 1 1 3 1 1 1 3 6 5 17 2 5 3 3 6 20 67 100 49 11 4 2 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 m 2H \| 70 70 m 2H \| 44 43 q 2H J 64 \| 40 40 t 2H J 56 \| 32 32 tt 2H J 56 64 \| 22 21 t 2H J 64 \| 20 20 p 2H J 56 \| 14 14 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(-c2ccc(OCCOS(C)(=O)=O)cc2)cc1	ir: 7 10 10 9 5 6 11 11 12 11 6 8 7 2 6 18 11 9 3 2 2 1 1 2 1 2 1 1 2 1 1 1 2 6 12 13 4 2 1 2 4 1 2 2 2 2 5 10 3 4 3 1 16 39 51 55 15 9 18 7 3 1 3 2 3 4 34 15 18 28 11 16 41 47 17 12 5 5 4 8 4 1 1 1 2 4 13 13 48 3 14 4 1 2 5 4 2 3 8 15 19 39 10 12 2 3 3 2 0 2 3 4 1 7 10 13 8 19 12 12 12 26 23 10 32 13 6 9 6 7 2 1 1 1 2 1 1 2 2 2 3 5 6 64 25 41 13 5 3 5 10 31 18 6 4 1 2 2 2 1 2 3 1 0 3 4 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 0 0 2 1 1 1 2 2 1 2 4 3 5 7 3 2 1 4 4 3 0 2 4 2 1 18 45 55 13 66 89 100 32 8 1 4 5 3 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0; 1HNMR: 81 80 m 2H \| 77 76 m 4H \| 70 70 m 2H \| 44 44 q 2H J 64 \| 43 42 m 4H \| 30 30 s 2H \| 14 14 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1nc(NC(=O)c2c(F)cccc2F)sc1-c1cccc(C(F)(F)F)c1	ir: 3 5 2 1 2 2 3 4 6 3 1 1 2 2 1 1 2 2 2 4 5 2 2 2 5 4 6 6 3 6 4 9 36 18 7 31 20 12 30 24 21 12 12 12 13 11 25 38 52 12 8 1 4 2 3 1 1 4 5 1 2 3 12 2 2 4 4 1 5 10 13 1 3 2 1 1 1 1 1 5 3 3 8 1 1 1 1 2 2 3 5 33 12 3 1 1 6 10 20 16 32 5 3 6 3 7 43 6 3 2 6 33 14 8 22 5 1 13 17 1 2 2 2 1 2 2 3 14 3 2 1 3 30 5 3 1 2 3 2 6 30 7 3 18 5 1 1 4 46 4 11 6 4 3 1 3 10 38 3 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 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 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 1 1 1 1 0 1 3 2 0 4 5 9 54 24 55 55 100 23 5 9 4 2 3 2 2 1 1 1 2 2 1 4 3 3 5 3 36 54 7 3 1 1 0 1 1 0 0 1 1 0 1 1 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 t 1H J 21 \| 78 77 m 2H \| 77 76 m 1H \| 76 75 tt 1H J 51 77 \| 72 71 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Nc2nc(-c3ccccc3)nc3ncccc23)[nH]n1	ir: 12 12 12 13 28 17 20 20 17 19 11 14 16 13 12 15 27 43 14 12 12 11 10 12 13 12 11 12 15 10 17 88 22 16 12 12 13 11 12 12 27 34 11 12 12 11 12 14 12 10 12 42 26 0 100 14 18 16 11 10 15 12 12 12 11 12 11 14 13 15 12 12 12 20 25 19 14 12 19 15 11 12 12 11 11 11 11 14 20 11 11 11 11 23 14 11 11 12 11 11 13 12 11 11 16 16 19 11 13 16 30 31 9 12 13 12 10 20 13 16 12 12 13 21 17 21 16 13 11 11 11 11 12 12 13 48 14 13 15 52 12 19 94 29 20 42 22 16 12 14 12 17 16 15 12 22 56 25 14 12 14 32 16 12 23 63 19 13 11 11 11 10 11 11 11 11 11 11 11 10 11 11 11 10 11 11 11 10 11 11 11 11 11 11 11 11 11 11 10 11 11 11 11 11 11 11 10 11 11 11 10 11 11 11 10 11 11 11 10 11 11 11 10 11 11 11 10 11 11 11 10 11 11 11 10 11 11 11 11 11 11 11 10 11 11 11 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 13 12 14 20 20 58 63 10 14 14 13 12 12 14 11 10 11 12 11 12 11 13 12 11 13 13 16 19 17 20 81 51 42 35 16 13 13 12 11 11 11 11 10 11 11 11 10 11 11 11 10 11 11 11 10 11 11 11 10 11 11 11 10 11 11 11 10 11 11 11 10 11 11 11 10 11 11 11 10 11 11 11 10 11 11 10 10 11 11 10 10 11 11 10 11 11 11 10 11 11 11 10 11 11 11 10 11 11 11 10 11 11 11 10 11 11 11 10; 1HNMR: 91 90 s 1H \| 89 88 dd 1H J 21 50 \| 88 88 s 1H \| 87 87 dd 1H J 21 96 \| 84 84 m 2H \| 76 75 m 3H \| 72 71 dd 1H J 50 96 \| 61 61 s 1H \| 23 23 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc2ncc(=O)n(CCN3CCC(N)CC3)c2c1	ir: 2 1 2 19 13 3 2 5 1 2 2 2 1 9 5 1 1 1 1 3 25 2 1 1 3 1 1 2 1 1 5 2 1 0 4 2 9 3 2 1 1 2 4 2 5 5 4 2 1 1 1 1 2 2 13 7 30 4 15 6 3 6 13 15 6 6 2 22 9 8 3 2 3 2 10 44 3 5 1 2 5 23 8 2 7 5 2 1 2 1 1 2 1 1 1 2 3 37 11 4 4 3 4 2 4 1 0 2 4 2 0 2 6 3 1 4 6 5 4 2 4 16 3 4 8 7 9 5 5 3 3 11 15 7 100 5 4 3 14 5 9 3 1 1 1 2 3 7 22 2 5 1 1 1 2 11 2 1 1 2 1 1 1 5 5 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 2 2 3 3 10 4 5 16 22 9 4 3 1 1 1 1 1 2 1 6 15 11 17 6 5 3 3 2 1 18 21 1 3 3 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 82 82 s 1H \| 80 80 d 1H J 22 \| 77 77 dd 1H J 22 90 \| 75 74 d 1H J 90 \| 42 41 m 2H \| 31 30 tt 1H J 38 55 \| 30 29 t 2H J 60 \| 29 28 ddd 2H J 55 82 125 \| 28 27 ddd 2H J 55 82 125 \| 19 18 dddd 2H J 39 56 82 136 \| 17 16 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1cnc2cc(Cl)ccc2c1Cl	ir: 2 1 7 23 16 12 10 1 2 3 10 11 3 1 2 1 1 2 1 3 5 5 2 2 2 6 4 2 2 2 21 13 4 3 2 2 2 1 9 1 0 0 1 1 1 3 3 12 25 15 3 3 7 4 3 23 26 2 3 5 2 1 1 0 2 1 2 4 15 13 11 4 2 4 4 2 1 2 1 1 6 47 8 3 2 1 2 2 22 12 2 3 3 22 21 13 2 1 1 1 1 1 1 1 0 1 3 1 2 1 1 1 1 2 1 2 2 6 2 4 6 4 4 3 4 9 29 13 23 5 4 2 1 3 2 2 3 4 1 1 1 5 6 1 5 46 100 18 2 4 3 5 18 0 17 25 5 31 33 4 2 1 2 2 2 11 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 1 1 1 2 1 1 1 1 2 1 1 2 4 2 0 4 16 18 25 10 100 25 13 3 5 2 2 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 91 s 1H \| 82 81 d 1H J 91 \| 80 80 d 1H J 22 \| 75 75 dd 1H J 22 90 \| 28 28 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C(O)c2cc3ccncc3[nH]2)cc1	ir: 5 6 1 5 2 10 4 2 2 2 2 2 2 4 12 7 16 8 3 3 4 3 3 1 1 3 3 1 3 100 21 5 4 3 2 3 3 5 4 2 2 1 1 1 2 2 2 6 4 5 3 2 9 6 12 2 4 4 2 2 2 1 1 1 2 2 2 2 3 11 4 2 10 5 4 3 3 2 2 2 2 3 6 14 14 17 31 26 9 3 2 3 3 20 8 10 13 3 2 3 3 3 11 2 2 1 1 1 2 2 2 12 3 20 3 2 3 4 1 2 2 2 1 2 2 6 1 5 6 2 1 1 1 1 1 1 1 1 1 9 3 2 1 3 7 2 4 2 10 4 2 1 17 2 2 2 2 2 3 3 1 0 36 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 2 2 3 2 2 4 2 2 4 3 2 4 5 7 1 21 23 16 15 7 3 6 2 9 46 20 8 1 2 2 2 2 1 2 2 1 1 2 2 3 3 8 14 6 9 11 4 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 89 89 d 1H J 18 \| 87 86 dd 1H J 14 45 \| 75 75 dd 1H J 22 45 \| 72 72 m 2H \| 71 71 d 2H J 79 \| 67 67 d 1H J 20 \| 57 57 dd 1H J 9 41 \| 47 47 d 1H J 42 \| 23 23 d 2H J 11	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)COc1ccccc1S(=O)(=O)N(C)C	ir: 9 6 4 17 12 10 2 15 20 5 1 12 5 4 10 17 13 4 5 17 6 2 1 5 5 1 2 5 6 5 3 5 6 3 8 14 17 23 5 7 7 6 58 23 7 1 3 6 4 1 2 6 4 1 6 6 4 1 4 7 48 18 9 13 7 23 10 23 19 18 8 7 3 3 9 12 4 1 5 6 4 20 16 8 26 5 33 27 100 7 20 82 6 5 8 8 4 6 10 9 3 6 9 7 5 4 5 3 0 3 6 3 1 4 12 14 3 6 11 15 2 6 6 3 3 5 6 5 4 9 7 5 3 6 6 4 14 12 7 6 11 17 8 11 38 10 7 3 24 50 7 3 2 5 6 4 2 7 9 10 3 5 3 0 2 5 3 0 2 5 3 0 3 5 2 0 3 5 2 0 3 5 2 1 3 5 2 1 3 4 2 1 4 4 2 1 4 4 1 1 4 4 2 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 0 2 5 3 0 3 5 3 0 3 5 2 0 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 1 2 4 4 1 2 4 4 1 2 4 3 1 3 4 4 2 3 5 4 2 3 6 3 3 6 9 8 16 25 28 62 9 5 6 3 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 2 3 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1; 1HNMR: 78 77 dd 1H J 15 86 \| 74 73 td 1H J 15 77 \| 73 73 ddd 1H J 13 75 87 \| 72 71 dd 1H J 13 79 \| 47 47 s 2H \| 43 42 q 2H J 66 \| 28 28 s 5H \| 13 12 t 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cn(C2CC2)c2cc(N3CCNC(c4ccccn4)C3)c(F)cc2c1=O	ir: 0 1 2 1 1 1 2 1 2 1 2 2 2 2 1 2 5 6 3 2 5 100 5 2 2 3 3 1 1 1 2 2 1 1 1 1 3 3 3 13 6 2 1 2 2 5 12 10 7 5 3 7 4 7 7 3 1 2 4 1 1 2 4 2 26 2 2 3 7 8 6 3 1 3 1 1 25 9 2 1 2 3 1 1 1 3 4 7 1 1 1 1 1 2 1 1 2 3 3 1 2 3 0 2 2 2 0 2 2 3 5 4 22 6 3 1 2 1 0 1 3 7 1 2 8 10 4 3 4 5 11 8 2 1 2 1 12 1 4 2 2 1 1 1 1 2 2 2 7 17 1 3 2 68 3 6 3 2 1 2 2 1 6 2 1 8 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 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 1 0 1 1 0 1 1 1 1 1 1 1 1 1 2 1 0 4 6 2 9 15 2 6 6 1 1 1 3 0 43 0 0 1 2 0 0 3 4 8 31 5 3 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 87 87 d 1H J 18 \| 86 85 dd 1H J 17 45 \| 80 79 d 1H J 121 \| 77 77 m 1H \| 76 75 d 1H J 43 \| 74 74 ddd 1H J 15 44 71 \| 73 73 ddd 1H J 7 14 79 \| 47 46 m 1H \| 41 40 dd 1H J 33 136 \| 39 38 pd 1H J 18 63 \| 38 37 dd 1H J 31 136 \| 36 35 qdd 2H J 28 51 125 \| 32 31 dddd 1H J 29 37 51 126 \| 31 30 dddd 1H J 28 36 51 126 \| 29 29 dt 1H J 35 70 \| 14 14 m 2H \| 12 11 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCC1CCN(c2cnc(N)nc2)CC1	ir: 4 3 4 6 2 7 4 2 3 3 6 7 4 7 5 6 9 15 10 3 6 7 4 2 6 2 5 5 3 3 4 2 2 4 6 10 43 50 12 27 16 9 10 9 9 8 13 11 16 24 17 5 10 19 13 7 8 10 4 4 4 10 5 2 7 5 4 2 4 10 19 6 29 34 18 5 6 3 4 4 6 8 8 6 3 4 3 2 2 2 2 2 7 5 3 3 4 5 4 5 3 7 4 6 3 3 2 7 4 3 2 2 1 2 2 1 0 2 4 3 7 4 11 6 6 17 2 7 17 9 10 19 55 24 9 8 9 10 7 7 7 3 5 7 56 61 16 20 51 41 11 6 7 4 6 2 3 2 4 1 2 6 8 7 2 1 1 1 1 1 0 1 1 0 0 0 1 0 1 1 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 1 2 3 2 4 3 8 3 1 1 2 2 2 1 2 2 1 2 2 3 4 13 14 20 11 12 54 63 14 8 24 100 10 10 5 1 2 5 29 65 42 1 1 4 2 0 1 1 1 0 0 2 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 s 2H \| 66 66 s 2H \| 36 35 m 2H \| 34 33 m 2H \| 27 26 td 2H J 42 63 \| 19 18 ddt 2H J 55 82 126 \| 17 16 m 3H \| 14 13 t 2H J 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(Br)c(NC(=O)CN2CCOCC2)c1	ir: 11 14 7 9 7 5 2 4 5 2 11 10 3 3 3 5 5 4 5 7 6 3 3 6 4 3 3 3 4 3 5 8 6 5 4 5 3 4 4 46 9 9 3 3 9 9 3 2 4 8 6 6 4 11 19 6 3 3 2 2 3 3 2 4 4 4 5 8 10 10 5 2 7 11 2 2 2 2 3 16 8 6 28 11 4 3 4 3 2 2 2 2 6 4 8 9 5 6 11 4 5 4 3 2 2 2 2 2 9 12 4 3 3 4 3 3 2 2 5 3 3 2 2 2 3 3 2 2 2 4 2 3 4 2 2 8 7 3 2 2 2 2 2 2 3 10 12 8 6 4 4 13 14 8 38 9 51 30 6 2 3 3 7 43 53 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 4 2 2 3 4 12 5 5 13 10 3 2 2 3 3 2 2 2 2 2 2 2 2 2 3 2 53 48 4 8 8 13 68 38 4 3 4 11 100 43 5 0 1 3 3 1 2 3 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 2 2 1 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; 1HNMR: 95 95 s 1H \| 74 74 d 1H J 73 \| 73 72 d 1H J 22 \| 64 64 dd 1H J 22 73 \| 42 42 s 2H \| 37 36 m 4H \| 33 33 s 2H \| 26 26 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ncc(-c2nc(N3CCOCC3)c3sc(CN4CCNCC4)cc3n2)cn1	ir: 0 3 3 3 4 2 3 2 1 4 4 2 2 2 6 2 2 7 8 2 2 1 2 2 2 1 16 6 2 11 12 5 5 1 1 1 2 1 1 1 1 2 1 2 1 1 1 8 10 19 11 7 3 19 13 16 13 5 12 19 15 7 2 1 6 3 16 3 3 2 4 1 2 9 1 1 3 3 1 4 15 3 1 1 2 2 17 2 13 3 1 4 2 4 2 1 2 4 5 7 2 2 0 1 1 3 1 1 6 49 3 4 4 3 1 3 5 4 2 1 3 2 1 5 5 7 5 4 2 14 1 1 2 2 2 2 2 1 1 3 4 2 10 9 22 100 34 51 16 14 49 13 10 6 55 54 3 4 2 0 5 37 2 2 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 8 4 3 2 2 1 1 1 1 1 1 1 1 1 3 3 3 14 13 4 2 2 1 1 1 1 2 2 1 3 39 1 2 2 2 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 89 89 s 2H \| 69 69 t 1H J 9 \| 66 66 s 2H \| 39 38 m 6H \| 37 36 m 4H \| 28 27 m 3H \| 28 27 s 5H \| 27 26 ttd 1H J 10 24 33	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#C[C@H]1O[C@@H](n2cnc3c(Nc4cccc(F)c4C)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ir: 0 1 2 1 1 2 3 3 5 4 2 4 2 6 2 3 7 7 5 2 2 2 6 5 6 5 6 12 9 4 4 2 2 2 1 0 0 1 1 0 6 4 4 2 2 5 6 12 14 3 3 1 2 2 4 0 1 1 2 0 4 7 10 11 9 3 7 4 3 4 2 3 3 3 7 11 10 7 5 3 2 3 2 7 2 1 1 1 3 4 2 2 2 4 4 2 2 2 1 3 7 10 12 8 8 17 6 6 3 4 3 3 2 14 7 11 2 5 3 7 11 5 2 6 7 6 5 6 12 4 1 2 1 1 1 3 3 1 2 11 8 3 19 10 1 1 1 1 2 2 1 1 1 0 2 3 1 2 1 3 2 2 1 1 1 0 1 1 1 0 1 17 1 0 1 1 2 2 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 2 2 3 2 2 3 2 3 3 3 6 6 12 16 20 6 12 13 7 11 14 7 16 3 5 2 1 1 1 1 1 1 0 2 3 2 99 100 4 2 2 1 2 2 5 7 4 3 2 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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: 84 84 s 1H \| 83 83 s 1H \| 83 82 d 1H J 7 \| 72 71 td 1H J 50 77 \| 71 71 dd 1H J 14 76 \| 69 68 ddd 1H J 15 77 102 \| 65 65 ddt 1H J 7 13 51 \| 60 60 ddd 1H J 7 38 50 \| 56 56 ddd 1H J 8 33 39 \| 51 50 tt 1H J 11 31 \| 24 24 d 1H J 29 \| 22 22 d 3H J 37 \| 21 20 d 6H J 38	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(c2nc3cn[nH]c3c(=O)[nH]2)CC1	ir: 1 1 1 1 1 1 1 1 5 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 8 1 1 1 1 1 2 1 1 1 1 1 1 1 1 4 2 1 1 8 100 61 5 0 1 3 3 1 1 7 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 9 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 2 9 2 8 2 1 1 1 1 1 1 1 1 1 1 1 5 3 1 2 2 1 2 1 1 1 1 1 1 1 9 1 6 2 1 1 1 1 2 2 1 7 1 1 1 1 1 1 2 0 44 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 4 3 7 8 3 4 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; 1HNMR: 83 83 s 1H \| 18 17 m 3H \| 15 15 m 3H \| 11 11 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc([C@H]2N[C@@H](Cc3ccccc3)C(=O)N2C)o1	ir: 4 28 28 7 4 7 11 17 0 5 9 6 8 13 10 3 2 13 12 18 19 6 8 7 1 6 6 2 5 22 18 8 6 15 9 14 19 10 11 13 28 12 6 3 4 12 10 4 4 7 4 3 11 32 67 100 18 25 10 11 44 38 11 16 20 29 20 8 27 38 18 7 20 24 16 15 9 9 14 16 12 7 4 3 6 6 2 3 16 18 6 3 5 5 3 6 33 31 16 38 25 13 50 53 15 7 2 4 7 5 0 6 11 12 15 11 18 15 21 12 11 13 10 16 75 38 6 10 10 7 15 11 16 18 11 14 9 2 1 5 8 11 12 10 12 2 8 12 18 16 70 93 8 8 10 5 4 1 3 5 4 1 2 5 3 0 3 5 3 0 3 6 3 0 3 5 2 0 3 5 2 0 3 5 2 1 3 5 2 1 4 5 2 1 4 4 1 1 4 4 1 1 4 4 1 2 4 4 1 2 5 3 1 2 5 3 1 2 5 3 0 2 5 3 0 3 5 3 0 3 5 3 0 3 5 2 0 3 5 2 1 3 5 2 1 4 5 2 1 4 4 2 1 4 4 1 2 4 4 1 2 5 3 1 2 4 4 1 3 5 5 2 5 6 5 4 5 9 9 3 7 13 14 13 31 31 63 50 55 87 15 13 16 12 11 8 5 6 5 2 3 4 3 4 5 5 23 87 49 9 1 0 4 4 1 1 4 4 1 2 4 4 1 2 4 3 1 2 4 3 1 2 5 3 0 2 5 3 0 2 5 3 0 3 5 2 0 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4; 1HNMR: 73 72 m 5H \| 64 64 d 1H J 51 \| 61 60 dq 1H J 9 53 \| 55 55 m 1H \| 39 38 dtd 1H J 13 59 73 \| 33 32 t 1H J 71 \| 30 29 ddt 1H J 9 59 137 \| 29 29 d 3H J 16 \| 28 27 ddt 1H J 8 60 139 \| 23 22 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CON1C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H]1C	ir: 8 7 3 2 1 1 1 2 1 4 2 2 1 1 3 1 1 1 1 1 1 1 4 5 5 20 8 5 5 11 39 34 6 17 6 7 6 8 12 0 1 1 1 1 2 7 8 1 1 1 1 1 1 1 1 1 1 2 1 0 7 4 2 2 1 1 2 13 6 2 3 1 1 1 1 3 1 1 1 1 2 1 1 1 1 1 7 6 1 1 1 1 3 9 2 2 1 2 1 4 1 1 1 1 1 1 1 1 1 1 3 2 1 1 1 2 5 13 7 5 6 4 3 2 2 2 4 4 9 19 41 28 32 6 1 2 1 1 1 1 2 1 2 2 11 5 16 100 10 96 10 10 6 1 1 0 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 3 2 3 8 51 7 0 14 4 2 1 1 1 2 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 2 2 2 4 27 72 10 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 51 50 d 1H J 85 \| 49 49 dd 1H J 62 84 \| 39 39 qd 1H J 62 72 \| 36 35 s 3H \| 14 14 s 8H \| 13 13 d 4H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCCN1CCN(c2ccc(Cl)cc2)CC1	ir: 5 3 3 3 2 5 4 4 5 7 4 3 5 5 25 11 14 6 17 20 19 21 16 5 5 5 3 6 6 7 2 4 2 6 3 1 2 3 1 1 2 1 2 2 2 2 3 6 2 1 2 7 7 13 31 65 4 6 10 20 12 1 3 7 2 0 6 1 4 5 3 6 3 1 2 1 1 2 4 5 18 9 27 11 5 18 18 4 8 11 12 22 20 19 72 54 34 12 13 7 14 14 17 3 5 3 2 2 1 2 1 3 3 2 2 1 4 3 2 2 2 1 1 1 2 2 2 1 2 4 2 1 2 0 2 6 2 1 0 0 0 0 1 1 2 2 1 14 23 11 1 6 2 10 1 0 1 1 1 1 1 1 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 1 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 1 2 1 2 2 2 1 0 1 2 2 2 10 17 13 23 12 12 12 100 77 27 11 8 5 2 1 1 0 1 1 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 2H \| 69 68 m 2H \| 43 43 t 1H J 59 \| 37 36 q 2H J 62 \| 33 32 m 4H \| 28 27 m 4H \| 27 27 t 2H J 63 \| 18 17 p 2H J 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#Cc1cccc(C2C(C(=O)OCC)=C(C)NC(C)=C2C(=O)OCC)c1	ir: 30 38 34 28 5 12 18 8 6 12 17 10 2 10 13 6 3 9 11 5 9 13 15 9 13 14 11 4 4 11 10 8 8 12 10 6 8 13 13 4 6 13 13 12 14 26 17 25 20 14 8 0 8 13 8 1 7 13 7 1 7 14 8 3 8 16 14 8 15 27 13 8 12 20 13 8 22 14 14 7 11 11 4 3 9 10 4 6 19 17 5 5 11 10 4 7 11 9 3 6 11 9 5 10 11 26 40 24 16 9 1 10 19 13 1 11 18 12 3 9 14 8 7 12 16 10 2 10 20 11 5 10 20 16 3 11 13 6 4 20 64 37 6 10 11 4 4 11 10 3 6 21 100 41 15 33 12 10 40 32 32 3 7 12 7 2 6 12 7 1 6 12 6 1 7 12 7 2 7 11 6 2 7 11 5 2 8 10 5 3 8 10 4 3 9 9 4 4 9 9 4 4 9 9 3 4 9 8 3 5 10 8 3 5 10 8 2 5 11 7 2 6 11 7 2 6 11 6 1 7 11 6 2 7 11 6 2 7 10 5 2 7 10 5 3 8 10 5 3 8 9 4 3 9 9 4 4 9 9 4 4 9 8 4 5 10 8 3 6 11 10 3 8 11 8 4 7 13 8 5 9 15 10 13 36 16 15 48 34 19 8 7 9 11 6 4 8 11 6 4 9 11 8 20 13 11 9 6 15 20 49 96 70 21 12 8 11 9 5 5 9 8 4 5 10 8 3 5 10 7 3 6 10 7 3 6 10 7 3 6 10 7 2 7 10 6 3 7 10 6 3 7 10 6 3 7 9 6 4 8 9 5 4 8 9 5 4 8 9 5 4 8 8 4 5 8 8 4 5 9 8 4 5 9 7 4 5 9 7 3 6 9 7 3 6 10 6 3 6 10; 1HNMR: 78 77 s 1H \| 75 74 m 3H \| 74 73 ddd 1H J 10 19 70 \| 49 49 dq 1H J 10 19 \| 41 40 q 4H J 71 \| 31 31 s 1H \| 23 22 d 5H J 9 \| 12 12 t 6H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)/C(=C/c1ncc[nH]1)NC(=O)OCc1ccccc1	ir: 6 16 16 10 10 5 1 15 5 17 11 6 6 7 5 6 7 6 4 5 6 2 3 5 4 4 3 3 5 10 6 3 4 3 6 4 2 19 29 15 19 7 3 10 9 9 2 9 1 2 5 26 14 6 2 3 3 1 3 2 8 7 5 6 24 6 6 15 21 3 6 2 1 4 8 5 4 2 3 5 2 1 2 3 3 19 29 31 100 93 22 6 4 3 1 3 8 11 40 10 6 4 6 2 10 32 20 17 14 2 3 2 0 1 4 2 1 3 4 7 5 6 20 10 2 6 3 11 3 12 9 3 2 5 6 9 49 38 28 11 15 23 56 66 62 26 17 11 3 3 5 2 4 3 2 1 1 1 1 3 6 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 6 2 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 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 2 3 2 1 17 2 1 2 2 3 5 2 2 3 4 3 9 41 46 16 66 78 62 45 8 3 3 2 3 1 3 5 19 6 3 2 1 2 2 2 2 3 3 17 11 32 12 6 4 2 4 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 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 75 74 s 1H \| 74 73 m 7H \| 73 72 d 1H J 26 \| 69 69 s 1H \| 52 51 s 2H \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1ccccc1	ir: 5 2 2 2 1 5 4 1 5 5 5 7 21 10 2 5 12 3 16 6 7 52 12 6 6 10 2 6 13 3 4 16 9 16 4 7 19 100 23 17 11 7 4 1 7 7 5 3 2 1 2 2 2 1 7 12 3 4 6 2 2 3 4 4 2 10 1 2 2 11 3 1 2 3 6 5 8 15 40 70 31 6 4 4 4 3 3 3 11 9 3 2 1 1 2 3 2 2 3 3 1 1 1 1 0 1 5 4 4 5 7 4 2 2 3 1 2 2 4 3 10 8 9 7 33 6 6 3 2 2 2 1 1 2 3 12 2 2 3 4 8 58 36 30 61 43 33 11 11 7 5 11 5 3 2 0 1 2 1 0 1 7 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 1 2 2 3 4 4 3 5 3 6 11 21 48 16 3 3 3 3 1 4 9 5 11 2 2 1 1 2 2 2 4 5 8 4 5 9 23 67 20 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 78 78 m 4H \| 75 75 m 1H \| 75 74 m 2H \| 73 72 m 2H \| 73 73 s 2H \| 72 71 ddt 2H J 8 16 70 \| 70 69 dt 2H J 8 86 \| 68 67 m 2H \| 65 65 s 1H \| 47 46 dt 1H J 62 82 \| 46 45 dt 1H J 68 92 \| 32 31 ddt 1H J 9 68 141 \| 30 29 dddt 2H J 9 68 141 218 \| 27 26 ddt 1H J 9 62 141	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Brc1ccc(C(Br)Br)cn1	ir: 2 2 1 14 6 1 1 1 2 1 1 3 2 1 1 1 2 1 1 1 2 1 1 10 2 1 1 5 1 1 3 4 4 18 46 6 4 6 2 2 2 2 2 1 2 15 17 6 8 10 2 3 2 0 19 4 3 3 2 1 1 1 1 1 1 1 3 0 2 32 2 2 1 1 1 2 1 2 4 2 1 2 2 1 1 1 2 4 8 3 8 28 2 2 2 1 1 1 1 1 1 1 1 15 2 2 2 1 1 1 3 3 6 3 2 1 1 1 2 1 1 2 4 6 25 12 1 1 1 2 5 41 13 7 3 1 1 1 1 1 1 1 1 1 1 2 2 12 23 1 3 2 6 2 2 2 3 2 4 100 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 3 9 17 2 3 4 2 5 13 38 2 3 5 4 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: 85 85 dd 1H J 7 19 \| 78 77 m 1H \| 74 74 d 1H J 79 \| 66 66 d 1H J 8	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1nc(CCC(F)(F)C(F)(F)F)c2ncccn12	ir: 17 18 6 3 2 2 2 3 2 3 3 3 2 5 3 6 2 3 5 3 2 2 1 1 1 1 2 6 1 2 1 2 4 2 2 5 1 1 1 2 3 3 1 2 2 1 2 2 3 2 53 5 2 0 1 1 1 1 1 2 4 5 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 7 3 2 2 1 2 1 1 2 10 5 3 1 2 1 1 2 3 2 16 1 2 1 16 1 1 2 13 3 2 2 2 4 3 3 5 9 4 5 3 4 4 1 2 1 1 1 1 1 1 1 3 2 1 4 9 6 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 26 28 18 3 1 8 7 1 1 1 1 1 1 1 1 1 5 1 0 1 0 1 0 0 1 0 0 0 1 1 0 1 0 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 0 1 1 1 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 1 0 0 0 0 1 0 0 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 7 4 3 1 2 1 2 4 9 7 10 6 2 8 4 10 23 1 1 1 1 1 1 1 1 1 1 1 1 0 3 18 2 1 0 0 1 1 0 1 1 1 1 100 63 5 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 1 1 1 5 2 1 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 91 90 dd 1H J 13 80 \| 85 84 dd 1H J 13 66 \| 77 77 s 2H \| 71 71 dd 1H J 66 79 \| 31 30 tt 2H J 27 94 \| 24 23 ttq 3H J 23 95 141	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1	ir: 1 1 0 3 4 4 1 3 4 2 1 1 3 1 4 5 6 5 4 3 6 2 28 32 6 4 3 1 2 2 2 0 1 1 1 1 1 2 2 1 1 6 41 21 3 1 3 2 1 2 3 2 1 1 5 2 6 2 1 1 1 1 3 0 0 1 1 0 1 3 11 4 2 3 5 6 6 4 10 18 15 3 1 1 2 2 1 1 6 1 2 1 1 1 0 0 1 3 2 2 1 1 0 0 1 2 3 3 2 1 4 7 2 4 2 1 2 5 3 4 1 2 2 2 2 1 0 1 1 3 1 1 1 1 1 5 11 12 10 2 4 2 1 10 19 4 7 7 8 4 6 6 2 1 0 1 1 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 0 2 2 1 1 1 4 8 6 38 34 19 8 4 3 3 2 3 6 100 51 6 1 2 2 0 2 2 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 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 dd 1H J 15 81 \| 78 77 ddd 1H J 16 76 89 \| 76 75 dd 1H J 13 68 \| 75 75 m 3H \| 74 74 m 2H \| 74 73 td 1H J 13 72 \| 72 72 td 1H J 13 68 \| 70 70 dt 2H J 9 73 \| 54 54 d 2H J 11 \| 28 28 d 4H J 12 \| 21 21 dd 0H J 12 38 \| 21 21 s 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1CC(S(=O)(=O)c2ccccc2C(F)(F)F)CN1c1cccc(S(C)(=O)=O)c1	ir: 7 6 7 4 4 16 9 10 5 22 28 20 6 20 27 9 16 5 8 3 4 10 5 2 2 6 8 4 1 5 6 3 4 7 6 4 16 17 5 0 3 10 63 23 8 6 7 45 8 6 3 1 3 7 4 0 3 6 9 8 6 11 13 4 10 28 13 5 11 13 9 5 5 12 6 9 6 8 3 3 28 8 3 3 11 27 76 29 7 6 9 16 21 10 5 16 15 10 54 16 27 22 30 29 11 18 12 26 10 8 6 5 7 7 2 4 6 3 5 8 10 21 5 7 10 5 4 4 8 8 3 4 6 4 2 5 10 14 5 6 8 17 11 12 23 3 2 4 5 15 4 5 4 1 2 11 5 2 3 5 4 2 9 6 3 1 2 5 3 0 3 5 3 0 3 5 2 0 3 4 2 1 3 5 2 1 3 4 2 1 3 4 2 1 4 4 2 1 4 4 2 2 4 4 1 2 4 4 1 2 4 3 1 2 4 3 1 2 5 3 1 2 5 3 1 3 5 3 1 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 3 2 3 8 7 3 3 5 4 4 4 5 4 7 7 17 15 16 10 21 23 100 45 14 4 0 4 6 3 1 3 5 3 1 4 5 2 1 4 5 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 5 3 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4; 1HNMR: 80 80 dd 1H J 13 79 \| 78 77 dp 1H J 13 106 \| 77 76 m 2H \| 75 75 ddd 1H J 14 66 79 \| 74 73 dd 1H J 75 86 \| 72 72 t 1H J 22 \| 69 69 ddd 1H J 11 22 75 \| 44 43 t 1H J 70 \| 43 42 m 1H \| 42 41 m 2H \| 40 39 m 2H \| 32 32 s 2H \| 27 26 m 1H \| 25 24 m 1H \| 13 12 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Nc1nc2cnc(Br)cc2[nH]1	ir: 13 9 10 14 7 11 6 7 6 3 4 6 8 5 5 10 4 5 4 5 6 21 25 13 7 5 24 13 35 8 2 7 15 5 4 6 22 11 10 5 5 6 6 11 21 96 69 59 38 5 5 10 5 1 6 8 7 4 12 13 4 1 4 7 6 13 13 27 6 0 4 6 3 1 4 6 3 2 5 5 3 2 7 15 4 2 5 5 2 2 5 4 2 2 8 5 5 3 6 4 2 3 5 9 3 6 7 13 11 11 11 61 1 4 9 4 0 4 8 4 1 4 8 3 5 13 6 6 3 5 7 9 13 6 5 3 3 5 5 3 3 5 13 5 23 5 5 7 12 60 27 10 10 6 7 41 48 18 16 7 4 7 84 13 3 7 4 0 3 6 3 0 3 6 3 1 4 6 3 1 4 6 3 1 4 5 3 1 4 5 2 1 4 5 2 2 4 5 2 2 5 4 2 2 5 4 2 2 5 4 2 3 5 4 1 3 5 4 1 3 6 4 1 3 5 3 1 3 6 3 1 3 5 3 1 3 5 3 1 4 5 3 2 4 5 3 2 4 5 2 2 4 4 2 2 4 5 2 2 5 4 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 4 1 3 5 4 2 4 7 6 5 34 5 20 3 5 6 4 2 4 6 4 5 5 9 4 2 4 6 4 4 4 7 4 5 15 39 68 100 72 38 6 7 7 8 3 3 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 1 3 5 3 2 3 5 3 2 3 5 3 2 4 5 3 2 4 5 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 3 4 4 2 3 4 4 2 3 5 4 2 3 5 4 2 3 5 3 2 3 5 3 2; 1HNMR: 88 88 s 2H \| 75 75 s 1H \| 37 37 s 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ncsc1C(N)c1ccccc1	ir: 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 0 0 0 0 1 0 0 1 1 0 1 0 1 1 3 4 1 0 1 1 2 3 1 1 1 5 5 6 4 3 5 1 1 1 1 1 0 1 1 2 2 1 1 1 3 3 3 2 1 3 2 3 3 6 2 4 4 2 6 7 4 9 3 4 4 4 1 1 1 1 0 1 1 2 1 1 1 0 1 0 1 1 1 1 0 0 1 1 1 1 0 0 1 1 1 1 0 1 2 2 2 2 1 1 2 1 1 2 2 3 2 2 3 3 5 14 14 7 3 3 1 1 1 0 0 3 3 2 3 1 2 0 0 0 1 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 2 1 1 1 1 1 1 1 2 7 9 4 2 1 1 1 1 1 1 1 1 1 1 2 3 1 3 13 8 2 4 6 60 100 14 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 s 1H \| 74 73 m 5H \| 73 72 m 1H \| 53 53 m 1H \| 29 29 d 2H J 59 \| 25 24 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)c(NCCN)c(C)c1	ir: 4 2 4 2 3 6 6 8 6 8 14 8 8 8 0 9 6 10 7 9 6 2 9 4 5 3 7 7 7 12 17 4 5 0 8 23 25 4 6 2 5 12 7 10 7 22 29 11 7 3 8 7 7 9 5 3 15 8 15 36 26 12 20 9 5 3 10 12 11 9 22 21 9 36 36 29 8 5 6 3 13 19 13 6 2 2 1 1 2 1 1 4 3 5 2 2 2 2 4 17 11 4 2 2 4 2 4 5 6 3 5 5 5 6 6 5 4 5 4 16 19 21 20 17 14 19 11 15 6 33 13 59 16 26 36 18 23 7 6 8 3 6 5 9 70 21 6 10 5 24 8 6 1 1 1 0 2 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 0 0 0 0 1 0 0 0 0 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 0 1 1 1 1 1 1 0 0 0 1 1 1 2 2 2 1 2 2 1 2 3 2 2 3 3 4 7 6 5 11 18 5 3 2 3 2 3 1 6 4 5 8 26 15 35 14 15 12 18 16 7 53 100 36 54 46 14 13 14 7 4 4 3 2 1 1 1 1 1 0 1 1 0 0 0 1 1 0 1 1 0 0 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; 1HNMR: 68 67 s 2H \| 51 50 t 1H J 45 \| 34 33 dt 2H J 39 46 \| 30 29 tt 2H J 38 61 \| 23 22 s 3H \| 22 21 s 6H \| 14 13 t 2H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
S=C(NCCCN1CCN(Cc2ccc(Cl)cc2)CC1)NC1CCCCC1	ir: 3 1 2 2 3 1 0 1 1 1 3 0 1 2 1 1 1 1 1 1 0 0 1 0 0 1 2 5 2 4 1 8 5 9 24 8 10 34 4 3 4 3 3 3 1 2 1 3 2 1 1 0 2 5 13 4 9 1 1 2 1 1 2 1 2 2 4 7 2 1 1 1 1 1 0 1 1 1 2 4 19 3 2 7 5 1 1 1 1 0 0 1 1 4 9 1 1 2 1 4 8 6 1 1 1 1 1 0 2 4 3 3 2 2 0 2 2 2 1 2 3 2 3 7 4 2 3 1 3 2 2 4 2 3 2 4 1 0 1 0 1 5 16 6 3 7 8 91 5 2 1 2 5 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 2 2 2 1 1 0 1 1 1 5 10 4 5 6 4 2 2 1 1 1 1 1 0 1 1 0 0 0 1 3 1 2 1 2 2 6 9 100 20 5 2 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 2H \| 73 72 dt 2H J 9 82 \| 70 69 t 1H J 45 \| 66 65 d 1H J 70 \| 37 37 t 2H J 9 \| 36 35 dp 1H J 51 70 \| 35 34 td 2H J 45 63 \| 27 27 m 4H \| 26 26 m 4H \| 25 25 t 2H J 59 \| 19 18 m 4H \| 17 16 m 2H \| 16 15 m 1H \| 15 15 m 1H \| 15 14 m 4H \| 15 14 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1(C(=O)O)C(C)=CC=C(C(=O)O)C1C	ir: 1 1 1 0 1 1 0 1 3 1 1 5 4 6 2 2 3 2 1 5 8 75 100 14 2 5 4 1 2 3 4 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 0 0 0 1 1 0 1 1 2 3 2 2 1 1 3 4 2 0 1 4 3 4 5 6 16 50 1 0 1 1 2 2 4 6 5 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 5 7 3 1 0 1 6 4 3 2 1 1 2 1 2 2 3 4 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 6 2 1 5 1 1 1 0 1 1 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 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 1 1 0 0 0 0 1 1 1 1 1 1 1 1 2 3 5 2 1 1 1 0 0 0 1 1 27 61 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 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 71 \| 68 68 dp 1H J 15 72 \| 34 33 s 3H \| 33 32 qdd 1H J 9 16 66 \| 20 19 m 3H \| 12 12 d 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(OC)c1cc(F)cc(C(C)(C)C)c1	ir: 7 4 6 6 9 7 7 7 7 3 1 5 6 3 2 4 6 2 1 6 7 2 2 4 4 1 1 5 5 4 5 7 15 9 7 7 4 1 2 5 4 0 2 6 5 3 4 7 5 0 2 7 4 1 5 21 20 0 27 44 12 7 9 8 23 36 65 100 58 10 12 14 11 3 14 6 5 4 6 8 12 19 10 6 2 2 4 5 2 2 8 15 8 4 8 4 2 4 9 6 2 3 7 10 8 5 6 4 2 3 9 11 19 19 13 8 4 12 26 37 18 10 11 4 4 9 12 10 6 12 12 11 20 15 11 6 2 4 4 2 2 4 4 2 2 4 4 1 2 4 3 1 3 5 3 1 2 4 4 18 7 47 31 8 3 5 3 0 2 6 3 0 3 5 3 1 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 3 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 4 3 0 2 5 3 0 2 5 2 0 3 5 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 1 2 4 4 1 2 4 3 1 2 5 4 3 4 7 5 2 3 5 3 2 3 7 5 5 11 18 29 12 49 91 59 23 18 12 5 2 3 6 3 2 4 5 3 2 3 4 2 1 3 4 2 2 4 4 1 1 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 0 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1; 1HNMR: 73 73 td 1H J 7 22 \| 71 70 dt 1H J 22 121 \| 70 69 dt 1H J 22 121 \| 52 52 dtq 1H J 7 15 22 \| 33 33 d 7H J 16 \| 14 13 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC(=O)NCN(C)C	ir: 8 4 1 3 4 2 1 2 4 2 2 3 4 2 1 2 3 2 1 3 4 2 4 7 11 21 9 12 12 3 3 5 4 2 2 3 3 1 2 3 3 2 3 8 17 24 20 31 7 5 4 5 4 2 3 5 3 1 3 7 3 2 4 4 8 3 3 4 4 5 6 5 5 6 3 3 3 6 6 5 2 2 5 6 9 17 16 18 12 14 16 15 8 10 6 4 3 5 12 5 3 3 4 3 1 2 3 2 1 2 2 2 1 2 4 2 3 5 5 4 2 3 3 2 2 2 3 2 2 3 3 3 2 2 2 2 3 3 2 4 3 6 9 15 52 100 70 7 18 9 7 1 2 4 3 0 2 6 9 1 2 4 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 4 3 3 3 4 6 12 7 10 3 1 3 5 4 6 5 3 2 1 2 3 2 1 3 3 2 3 5 8 8 12 15 19 22 14 10 5 3 3 4 3 2 2 2 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1; 1HNMR: 63 62 m 2H \| 60 59 dd 1H J 31 163 \| 58 58 dd 1H J 31 110 \| 39 39 d 2H J 44 \| 24 23 s 5H	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(c2nc3c(s2)CCN(C2CCC2)CC3)C1	ir: 7 8 4 6 7 7 4 5 5 5 3 6 6 4 4 4 5 4 3 5 7 4 4 4 4 4 4 5 6 6 8 5 4 3 3 8 11 10 5 5 5 3 4 8 5 4 5 6 9 7 9 7 7 4 7 6 7 13 8 16 21 21 26 23 29 16 12 14 9 16 24 8 5 6 6 5 4 4 5 5 5 7 11 13 6 4 7 6 8 15 9 7 12 9 11 8 7 8 10 11 10 25 20 25 13 35 15 9 11 17 43 17 9 15 25 32 16 15 20 26 13 28 16 16 14 11 11 10 6 14 42 27 9 10 8 12 24 7 6 4 5 4 4 7 6 11 24 8 4 5 4 3 3 4 4 3 3 4 4 2 3 4 3 3 3 4 4 3 3 4 4 2 3 4 3 3 4 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 3 4 3 3 4 3 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 3 4 3 3 4 4 4 3 3 4 4 3 4 4 3 3 4 3 4 4 4 4 4 4 3 4 4 5 4 4 8 8 15 10 13 18 19 27 24 19 5 21 28 27 51 93 100 25 23 5 0 6 9 5 3 4 6 3 2 4 5 3 2 4 5 3 2 4 4 3 2 4 4 3 2 4 4 2 3 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 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 2 3 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 41 40 m 1H \| 39 38 m 1H \| 38 37 ddd 1H J 57 75 120 \| 37 36 m 2H \| 30 29 m 6H \| 29 28 m 2H \| 28 27 t 2H J 60 \| 24 23 dddd 1H J 39 57 77 137 \| 22 21 dddd 1H J 39 57 74 134 \| 18 17 m 4H \| 16 15 m 2H \| 15 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1N[C@H](CO)CC1(F)F	ir: 7 6 2 6 9 8 2 9 16 17 7 39 0 7 7 5 5 7 5 6 7 5 5 5 7 6 10 9 23 10 14 15 16 4 4 6 5 4 4 5 5 3 4 5 5 4 4 7 5 3 5 6 5 3 4 6 4 2 5 7 4 4 8 11 9 11 6 6 6 5 12 12 6 3 9 8 17 16 9 20 40 7 6 6 4 5 11 13 12 21 32 25 22 24 4 6 6 5 4 5 4 5 6 7 11 12 14 10 6 6 6 5 5 5 6 5 6 6 5 5 7 17 22 15 15 10 20 10 5 5 6 7 12 12 6 6 5 4 4 4 4 4 4 4 5 4 4 6 5 2 5 19 59 100 72 23 3 9 6 2 3 7 5 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 3 4 5 4 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 5 5 4 3 5 5 4 4 5 5 3 4 5 5 3 4 5 5 4 5 6 5 5 5 8 6 6 6 6 5 5 12 9 5 4 8 7 7 3 6 6 5 17 26 30 14 10 5 5 5 4 6 7 5 4 6 7 10 18 26 19 56 21 10 10 9 8 6 6 5 6 6 5 5 5 5 4 4 4 5 4 4 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 4 5 5 4 4 4 4 4 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3; 1HNMR: 70 70 dt 1H J 26 93 \| 38 38 ddd 1H J 34 50 117 \| 36 35 ddd 1H J 34 50 118 \| 35 35 m 1H \| 34 33 t 1H J 50 \| 26 25 dtd 1H J 35 127 163 \| 24 23 dtd 1H J 53 126 166	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC[C@@H](O)[C@@H](O)[C@H](O)c1c[nH]cn1	ir: 2 4 4 4 1 4 3 3 3 3 3 6 7 9 7 2 1 3 3 2 3 4 5 2 2 4 4 3 1 3 3 1 1 4 11 26 12 5 3 1 2 3 2 1 1 4 3 3 3 5 2 1 2 4 4 2 1 3 2 0 2 4 4 2 3 7 5 4 4 4 3 4 6 5 11 4 8 7 14 15 17 9 9 19 22 28 47 65 75 53 67 32 14 15 7 7 12 15 3 5 18 36 34 20 12 7 8 5 6 13 11 10 14 15 3 7 7 11 23 31 19 17 2 5 6 4 4 2 4 1 1 4 3 2 2 3 2 1 1 3 2 1 1 3 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 1 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 0 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 3 1 2 5 5 2 7 7 10 6 8 4 7 7 7 5 8 4 12 13 11 9 78 100 51 18 10 9 23 85 38 10 20 27 6 3 2 2 3 3 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 2 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 78 77 dd 1H J 16 60 \| 72 71 m 1H \| 59 59 dd 1H J 47 59 \| 51 51 ddd 1H J 7 53 71 \| 49 49 d 1H J 53 \| 46 46 t 1H J 56 \| 45 45 d 1H J 59 \| 44 43 d 1H J 56 \| 42 42 ddd 1H J 59 71 84 \| 39 38 ddt 1H J 47 55 82 \| 38 38 ddd 1H J 47 55 117 \| 36 35 ddd 1H J 47 55 117	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)cc1	ir: 2 7 7 10 7 6 5 8 4 16 91 13 1 14 30 41 19 11 18 6 4 17 9 6 7 9 12 8 8 4 50 18 11 24 33 5 4 4 2 7 4 5 9 4 6 9 5 10 5 3 2 7 2 22 20 7 8 3 6 1 1 2 2 2 4 2 10 87 78 18 22 36 25 10 5 0 7 4 2 2 3 12 44 4 2 2 57 11 9 9 31 41 5 20 27 11 11 5 5 8 4 8 17 2 2 2 3 2 5 7 9 26 10 5 1 4 5 8 7 14 10 7 8 5 10 39 21 7 5 6 3 2 4 15 31 20 10 6 2 2 2 1 1 3 2 1 2 4 16 19 7 4 3 3 2 2 1 0 1 2 1 5 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 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 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 2 3 3 5 3 2 2 3 4 4 3 3 6 2 4 20 34 3 53 100 21 9 5 1 4 2 2 1 2 2 1 1 2 2 1 1 2 5 5 20 5 7 3 2 3 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 78 78 m 2H \| 75 75 m 2H \| 73 73 dt 2H J 9 91 \| 71 71 s 1H \| 71 70 m 1H \| 27 26 tt 2H J 9 64 \| 23 23 d 3H J 36 \| 17 16 qt 2H J 64 76 \| 10 9 t 3H J 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1CNNC(=O)c1ccccc1	ir: 1 1 1 1 0 1 1 1 2 1 1 1 1 1 1 0 0 1 2 1 0 1 1 2 1 1 2 0 0 1 1 2 4 5 3 10 8 90 27 25 14 18 24 20 1 7 14 6 16 27 2 5 2 1 2 1 3 2 6 22 11 17 6 6 2 2 1 1 6 3 7 3 1 1 2 7 2 2 1 0 0 1 1 2 1 1 1 3 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 1 1 5 3 31 27 19 4 5 16 3 3 8 2 2 6 3 2 2 7 8 8 43 10 6 8 12 4 2 8 4 2 3 4 8 7 9 3 10 10 12 15 6 4 2 2 9 2 1 0 1 3 1 6 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 1 1 2 1 0 1 2 1 2 2 8 25 100 21 5 3 2 1 0 3 2 1 1 1 1 0 0 3 6 3 4 25 21 24 11 8 3 45 6 2 2 1 1 1 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 d 1H J 55 \| 79 78 m 2H \| 75 74 m 3H \| 73 73 ddt 1H J 9 17 78 \| 72 72 td 1H J 18 76 \| 70 70 td 1H J 10 77 \| 69 69 dd 1H J 10 75 \| 47 47 dt 1H J 44 55 \| 42 42 dd 2H J 9 46 \| 38 38 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)Nc1ccc2c(c1)C(=O)N[C@H](C(=O)O)C2	ir: 15 14 8 3 3 2 2 3 4 4 2 5 13 15 8 4 5 3 3 5 22 53 44 65 33 27 4 8 6 4 8 12 36 48 32 28 11 5 4 21 69 40 15 8 3 1 2 3 3 1 2 3 3 2 6 6 6 7 15 4 3 2 4 5 2 3 4 4 4 6 3 3 2 1 2 3 4 8 9 31 37 7 4 3 1 3 4 7 4 2 3 2 2 2 3 3 2 4 5 4 1 51 58 12 3 3 7 4 3 6 6 5 2 6 15 9 8 6 5 6 6 8 7 7 3 7 11 5 11 7 7 6 3 5 4 3 2 2 3 5 23 34 5 18 25 100 27 5 4 33 38 74 22 10 17 12 12 34 26 2 2 3 2 5 2 3 3 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 2 3 4 3 2 2 4 5 4 7 18 33 2 11 28 21 3 3 5 4 2 3 6 29 42 5 4 2 4 2 2 2 3 2 3 9 16 11 83 98 35 21 9 6 3 5 3 1 1 3 2 1 2 3 2 1 1 2 2 1 1 3 2 1 1 2 2 0 2 3 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1; 1HNMR: 94 94 s 1H \| 80 79 d 1H J 22 \| 78 77 dd 1H J 22 82 \| 76 75 d 1H J 81 \| 75 75 s 1H \| 73 73 dt 1H J 9 83 \| 43 43 ddd 1H J 45 72 80 \| 33 32 ddd 1H J 8 44 152 \| 31 30 ddd 1H J 8 71 152 \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CC(C)(C)c2ccc(N)cc21	ir: 10 7 4 4 8 11 2 6 9 4 16 10 5 3 3 3 2 2 2 2 2 1 1 3 3 3 2 2 3 1 1 2 2 1 2 3 2 2 2 2 2 2 1 2 1 1 1 2 1 1 1 2 2 10 4 3 2 3 1 2 2 2 4 1 3 18 19 4 3 2 2 2 1 1 1 2 1 2 14 2 2 1 11 4 2 1 1 2 2 2 2 2 3 4 3 2 2 2 2 1 1 1 3 2 1 2 2 2 4 4 4 4 1 2 4 7 5 4 2 3 3 2 3 3 2 3 8 6 4 8 8 6 2 4 3 2 2 2 1 1 1 1 1 2 3 2 1 1 2 3 27 35 4 6 29 9 27 31 4 1 2 2 2 1 24 18 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 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 2 1 1 3 2 2 1 1 2 2 2 2 2 2 4 3 12 19 3 4 9 20 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 2 29 18 3 2 1 1 2 1 1 2 2 2 100 94 0 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 71 71 d 1H J 79 \| 70 70 d 1H J 22 \| 65 64 dd 1H J 22 79 \| 44 44 s 2H \| 40 40 s 2H \| 14 14 s 9H \| 14 13 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC1c2cc3ccccc3cc2C(O)c2cc3cc4c(cc3cc21)OCO4	ir: 2 3 4 1 2 3 1 1 3 2 2 31 8 10 5 3 2 2 2 1 1 1 1 1 1 3 1 1 1 1 1 4 4 1 1 1 1 4 1 1 1 5 11 0 1 2 1 6 1 1 1 0 1 1 1 0 1 2 1 2 1 1 1 0 5 30 20 8 8 4 21 23 85 7 4 2 6 3 13 14 5 7 19 58 57 39 20 5 19 12 6 16 7 5 2 1 2 9 1 2 0 44 3 3 20 5 1 6 2 1 0 0 1 2 6 6 2 2 2 2 1 1 1 1 1 0 0 0 0 1 0 1 0 0 0 1 7 4 1 1 1 1 4 8 10 0 1 1 1 2 0 3 1 1 4 1 1 4 13 1 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 2 3 2 3 1 2 6 12 100 45 7 7 2 4 1 2 49 9 3 1 0 0 1 1 1 1 0 1 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 m 2H \| 78 78 m 4H \| 74 74 dd 2H J 34 59 \| 72 71 m 2H \| 62 61 dd 2H J 9 47 \| 61 60 m 2H \| 26 26 d 2H J 48	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc2c(Cl)ccc(N)c2[nH]1	ir: 37 34 32 21 16 12 16 17 13 13 13 12 14 23 12 13 51 94 25 16 13 13 17 13 13 14 13 14 11 11 16 9 64 17 10 13 11 10 11 17 12 10 11 12 11 10 10 11 12 15 15 13 11 13 34 34 11 11 11 12 10 9 18 11 11 11 11 10 12 10 11 12 30 26 20 18 12 10 11 11 10 10 11 12 10 12 12 17 11 10 11 10 10 10 11 11 10 10 12 12 21 10 11 10 8 24 9 11 11 11 15 16 33 37 39 51 54 18 15 14 11 10 13 39 28 29 24 24 27 15 11 12 29 12 11 11 10 11 11 10 10 12 11 39 88 22 15 11 12 14 11 13 12 12 43 83 13 19 18 48 13 18 32 15 11 11 10 9 16 11 10 9 10 11 10 9 10 11 10 9 10 11 10 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 10 10 10 10 9 10 10 10 9 10 10 10 9 10 10 10 9 10 11 10 9 10 11 10 9 10 11 10 9 10 11 10 9 10 11 10 9 10 11 10 9 10 11 10 9 10 10 10 9 10 11 10 10 11 10 9 10 11 11 10 10 11 11 9 10 11 11 11 10 13 11 10 11 13 11 9 11 13 11 9 12 14 19 16 27 51 31 21 17 15 14 13 12 12 10 9 11 12 11 9 12 13 10 23 65 15 10 11 14 18 24 27 54 53 2 99 100 0 20 15 9 8 14 13 7 10 13 12 8 10 13 11 9 10 12 10 8 10 12 11 9 10 11 11 11 11 11 10 9 10 11 10 9 10 11 10 9 10 10 10 9 10 10 10 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 9 10 10 10 10 10 10 10 9 10 10 10 9 10 10; 1HNMR: 78 78 s 1H \| 73 73 d 1H J 69 \| 72 72 d 1H J 70 \| 46 46 s 2H \| 44 43 q 2H J 64 \| 14 13 t 4H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4ccccc4C#N)nc3)cc2)CCN1	ir: 3 4 4 4 4 5 4 4 3 4 5 3 3 5 7 5 3 4 4 3 3 4 4 3 5 9 4 5 8 4 6 4 5 4 10 7 5 10 31 8 26 10 8 10 29 6 5 2 4 6 8 6 9 34 16 28 31 26 15 9 4 5 3 3 11 7 37 6 5 12 7 9 6 3 5 15 5 4 5 16 21 4 3 5 4 4 5 8 6 9 5 5 5 7 3 3 4 4 7 5 5 5 3 4 4 6 14 44 38 12 3 4 4 4 2 4 5 5 6 11 6 6 10 5 6 6 5 7 22 15 11 12 16 4 3 6 19 5 3 4 4 4 5 16 12 18 9 6 19 12 6 18 14 8 5 7 6 2 3 5 4 4 62 0 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 6 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 3 3 4 4 4 4 4 4 4 4 5 6 9 7 16 100 21 10 4 5 5 5 4 4 4 4 3 3 4 4 4 4 5 8 28 99 10 4 3 5 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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: 89 89 d 1H J 20 \| 82 82 d 1H J 84 \| 81 80 dd 1H J 19 85 \| 80 79 m 1H \| 78 77 m 1H \| 75 75 m 2H \| 73 73 dt 2H J 9 85 \| 72 72 m 2H \| 36 35 m 2H \| 34 34 s 2H \| 30 29 pdd 1H J 13 40 66 \| 29 27 m 6H \| 25 24 dd 1H J 41 114 \| 20 19 m 1H \| 11 11 d 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccc2ccccc2c1C(=O)NC1(C(=O)O)Cc2ccccc2C1	ir: 4 3 2 1 1 1 0 1 1 2 2 2 9 18 3 6 14 22 21 8 21 32 15 6 5 27 5 2 2 4 6 1 1 9 2 3 7 9 13 2 13 12 19 6 4 3 1 0 1 14 2 0 2 9 7 16 4 6 4 1 1 1 0 1 0 1 0 1 5 1 3 1 3 6 10 12 10 5 9 16 15 12 7 14 4 2 5 6 1 21 3 2 2 1 1 1 2 3 5 2 8 4 1 2 5 5 0 3 7 2 0 1 2 1 1 2 6 3 1 1 2 2 4 1 3 7 3 12 6 5 5 3 1 1 2 9 3 7 8 19 4 2 3 39 13 22 5 13 5 1 28 14 4 1 1 1 3 14 24 1 1 1 1 1 1 0 0 3 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 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 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 4 2 1 0 1 1 1 3 18 11 21 100 64 19 3 1 3 2 2 1 9 79 4 0 1 1 1 0 1 2 2 2 2 3 4 72 6 1 1 1 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 84 m 1H \| 80 79 m 2H \| 79 79 m 1H \| 76 75 td 1H J 13 74 \| 75 74 ddd 1H J 13 70 80 \| 73 72 ddt 2H J 10 41 50 \| 72 72 dd 2H J 36 52 \| 71 70 d 1H J 86 \| 42 41 q 2H J 62 \| 35 34 dd 2H J 9 150 \| 33 32 dd 2H J 7 150 \| 16 15 t 3H J 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC1CCc2ccccc21	ir: 2 3 5 2 4 4 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 1 1 2 2 2 1 2 2 2 2 2 2 1 2 3 3 4 7 21 100 21 6 0 2 3 3 2 2 3 2 1 2 2 2 2 2 3 2 2 2 2 2 1 2 2 4 3 2 2 3 3 3 3 3 1 2 2 1 2 4 4 2 2 3 12 22 3 3 2 2 2 2 2 3 2 4 4 2 2 2 2 2 3 7 5 4 4 3 3 4 3 3 2 3 6 3 7 7 4 3 2 3 2 2 2 2 2 2 2 2 2 2 6 5 47 6 6 17 12 5 1 1 3 3 1 2 21 3 2 2 2 2 1 2 2 3 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 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 2 2 2 2 2 4 4 5 3 3 3 4 3 5 17 26 4 17 32 38 6 4 4 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 73 72 ddd 1H J 27 65 77 \| 72 72 m 3H \| 32 31 m 1H \| 29 28 dddd 1H J 9 55 73 145 \| 28 27 dddd 1H J 7 55 73 144 \| 21 20 m 1H \| 18 17 m 2H \| 16 14 m 2H \| 14 13 ddtd 1H J 64 75 127 138 \| 10 9 t 3H J 74	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(Cl)c1ncnc(Cl)c1Cl	ir: 5 2 1 3 6 3 0 3 6 6 23 9 9 13 2 7 14 7 13 8 11 8 2 9 7 5 3 5 8 2 1 5 4 3 3 7 47 81 57 61 41 43 20 47 17 7 5 7 4 2 3 5 3 3 4 15 10 0 4 5 3 1 4 5 4 4 5 8 6 6 12 8 8 1 4 4 3 3 4 5 2 1 3 3 1 1 6 5 1 11 20 12 45 30 31 10 10 9 17 8 5 9 18 30 10 33 8 5 1 3 5 3 1 5 9 8 24 11 9 7 3 5 5 4 17 52 37 6 2 4 4 3 1 3 3 2 1 3 4 3 2 69 70 81 49 100 57 9 4 4 4 2 2 9 58 45 25 6 3 1 2 4 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 3 4 2 0 3 4 2 1 3 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 4 3 1 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 2 2 4 3 2 2 4 3 1 3 4 3 2 3 5 4 3 4 6 5 5 8 13 8 16 5 5 4 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 86 86 s 1H \| 53 52 q 1H J 63 \| 21 21 d 3H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1coc(-c2cn(C3CCCC3)c3ccc(Cl)cc23)n1)N1CCOCC1	ir: 1 3 4 10 3 8 4 5 6 3 4 4 3 4 5 3 3 6 4 10 4 3 4 3 3 5 15 2 1 3 6 3 4 4 11 2 10 13 5 4 3 3 3 1 7 5 3 3 3 4 4 4 15 54 26 2 6 10 3 6 5 30 3 3 6 5 4 14 16 21 13 5 16 40 23 13 8 5 4 2 3 3 1 2 6 16 14 7 7 7 3 13 3 4 4 14 4 13 12 15 7 7 5 7 15 21 20 7 14 19 43 13 10 13 0 9 9 9 4 5 4 6 5 6 7 15 14 12 15 7 3 6 7 3 3 5 9 6 2 4 3 2 3 5 5 12 43 8 6 4 2 22 21 23 3 4 3 1 2 3 2 0 5 3 2 0 2 4 3 3 74 11 3 3 2 1 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 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 3 4 4 5 5 11 6 3 5 8 4 5 21 21 17 100 21 5 6 2 4 3 3 1 2 3 2 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2; 1HNMR: 84 84 s 1H \| 78 78 d 1H J 25 \| 76 75 s 1H \| 75 74 d 1H J 80 \| 73 72 dd 1H J 26 79 \| 42 41 m 1H \| 37 37 m 8H \| 21 20 m 2H \| 19 17 m 4H \| 17 16 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N1C(=O)C(=Cc2ccc(CO)o2)c2ccccc21	ir: 3 5 4 10 5 8 4 4 3 4 6 3 3 4 3 3 4 5 4 4 3 4 4 4 3 4 4 3 3 7 12 8 3 3 3 3 3 3 3 3 3 15 9 4 4 4 28 48 11 6 7 4 15 10 6 4 5 6 9 17 17 12 5 4 5 3 4 3 4 4 7 8 4 5 7 6 4 3 3 4 4 5 5 8 7 15 14 17 24 12 7 7 8 7 4 4 4 3 4 4 6 3 3 3 5 5 3 4 4 7 3 3 4 3 2 3 4 6 3 4 4 6 7 4 5 6 4 4 3 4 6 4 4 6 26 4 5 6 14 6 2 6 16 3 4 5 5 0 2 100 4 17 9 2 9 58 18 6 4 3 4 5 3 4 5 5 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 5 4 5 4 4 3 4 3 4 3 3 3 5 4 6 12 8 8 15 49 26 17 9 10 13 6 25 77 39 11 10 5 5 4 3 2 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 3 4 4 4 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3; 1HNMR: 83 82 dd 1H J 13 70 \| 80 80 dd 1H J 14 65 \| 76 75 ddd 1H J 13 66 75 \| 74 73 s 1H \| 73 73 d 1H J 58 \| 72 72 td 1H J 13 71 \| 66 66 dt 1H J 8 57 \| 46 46 dd 2H J 9 57 \| 37 36 t 1H J 58 \| 27 27 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1NC(=O)C2CCCCC21	ir: 15 12 11 9 3 6 6 14 12 25 29 6 5 6 11 16 27 17 29 11 6 8 8 9 6 41 35 64 17 13 6 5 6 4 4 2 2 4 3 2 2 11 9 2 2 3 2 1 10 4 3 2 5 7 4 4 5 9 4 0 2 6 4 8 2 3 2 2 3 7 2 3 11 13 12 9 20 6 2 1 2 3 1 1 3 3 1 1 3 2 1 1 4 4 4 4 8 7 3 4 8 13 9 16 31 33 14 21 10 16 36 32 23 16 15 18 7 17 16 14 36 7 4 8 11 7 5 8 6 6 3 6 10 12 8 4 4 3 2 3 2 3 10 17 52 31 14 7 4 2 5 10 22 30 56 21 8 2 2 3 2 0 2 3 2 0 1 3 2 0 1 3 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 1 1 2 2 0 1 2 2 0 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 2 0 1 3 1 0 1 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 2 1 2 2 1 1 2 2 2 2 4 4 2 2 6 6 4 11 7 7 8 13 27 12 23 37 16 4 2 2 3 2 1 2 3 2 1 2 3 2 1 3 2 2 1 2 3 3 3 5 11 20 83 100 35 11 3 6 5 3 1 3 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 61 61 d 1H J 71 \| 42 42 t 1H J 73 \| 42 41 qd 2H J 37 63 \| 27 26 m 2H \| 20 19 dddd 1H J 44 67 90 135 \| 18 17 dddd 1H J 47 65 88 137 \| 17 14 m 6H \| 13 12 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(COc2cc(C#N)cc(OCC3CCOCC3)c2)[nH]ccc1=O	ir: 6 3 1 1 2 2 2 4 5 3 3 2 1 1 2 1 1 1 1 1 2 2 2 3 8 2 1 1 1 1 1 1 1 1 5 6 4 2 1 1 1 2 1 1 2 5 9 41 60 66 43 4 5 1 2 2 2 3 4 14 23 12 16 5 7 9 24 7 10 15 13 10 3 5 10 7 3 1 3 4 5 4 1 1 1 1 1 1 2 3 1 11 22 9 1 2 2 3 2 2 4 2 3 2 6 13 5 14 12 3 3 4 3 3 1 3 2 1 1 2 2 1 1 3 2 2 1 5 10 4 2 3 5 2 2 4 10 4 0 4 26 5 3 1 2 1 2 3 2 0 5 48 39 16 9 4 3 30 71 22 35 11 5 2 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 0 0 0 0 0 1 0 1 0 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 0 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 1 1 1 0 0 0 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 2 3 3 1 4 3 2 7 15 4 18 43 8 12 6 6 4 4 2 2 2 2 1 1 1 1 2 1 1 2 1 1 2 2 2 8 28 100 42 10 7 6 2 3 3 2 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 91 91 d 1H J 57 \| 77 77 dd 1H J 57 71 \| 71 71 t 1H J 22 \| 70 70 t 1H J 22 \| 65 64 t 1H J 21 \| 63 63 d 1H J 71 \| 49 48 q 2H J 11 \| 40 40 d 2H J 49 \| 37 37 ddd 2H J 31 59 110 \| 36 35 ddd 2H J 31 59 110 \| 21 20 pt 1H J 50 66 \| 19 18 m 1H \| 19 18 m 4H \| 17 16 dddd 2H J 32 58 66 137	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(F)c(CC(=O)O)c(F)c1	ir: 0 1 0 1 1 2 3 3 3 12 7 9 6 7 11 11 20 13 14 29 72 100 10 16 7 5 4 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 2 7 20 22 9 3 4 4 2 4 7 12 9 23 61 12 12 5 3 4 6 8 7 2 2 2 0 0 1 1 0 1 3 5 1 7 4 2 1 1 1 0 0 0 1 1 0 0 1 1 1 0 1 1 2 5 3 1 1 1 2 5 1 1 1 1 0 1 1 1 1 1 1 0 1 7 7 6 14 10 8 4 3 1 1 1 0 0 0 1 4 10 1 1 0 1 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 2 1 1 1 2 2 2 2 4 1 5 17 8 0 2 0 1 4 1 2 10 98 46 28 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 65 64 m 2H \| 38 38 s 3H \| 38 37 t 2H J 43	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1OCC(c2ccc(Cl)cc2)=C1c1ccc(Cl)cc1	ir: 4 1 2 1 1 1 35 1 0 1 7 1 1 2 2 1 0 1 1 1 0 2 1 1 0 2 1 1 1 1 1 1 1 2 4 1 1 1 2 0 1 2 4 0 1 1 1 1 1 1 7 1 1 4 15 39 37 10 1 3 2 2 1 0 1 2 1 0 5 1 2 0 1 1 1 0 4 1 1 1 3 1 1 1 2 2 2 1 18 2 1 1 1 1 7 10 4 7 1 1 4 2 0 1 3 2 1 1 1 1 0 1 1 1 0 1 1 1 2 9 2 1 3 8 6 1 0 1 1 1 1 7 2 1 0 1 1 1 3 6 2 1 1 1 2 5 23 42 9 1 1 4 3 1 1 7 2 1 1 1 1 1 1 5 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 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 2 1 1 1 1 1 1 1 3 7 3 26 100 39 9 3 3 3 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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: 77 76 m 2H \| 76 75 m 2H \| 74 73 m 4H \| 54 53 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cc(C(F)(F)F)ccc1-c1cc(Nc2cccc3c2CC(O)CC3)ncn1	ir: 9 19 18 22 22 17 8 8 10 7 4 7 8 4 4 4 6 5 5 7 9 10 6 15 27 6 2 4 5 2 2 5 5 0 25 100 36 16 14 13 5 4 8 5 7 6 7 8 13 7 7 3 4 4 13 12 4 3 3 3 3 3 4 4 6 5 23 31 17 9 5 5 4 4 5 3 3 3 4 5 12 3 3 3 3 6 7 17 38 5 16 28 15 7 4 5 7 22 24 9 5 5 3 2 2 2 3 3 5 4 4 6 29 13 7 4 2 3 4 3 2 4 4 3 2 3 4 6 2 2 3 2 3 3 3 3 12 7 4 3 8 18 5 14 6 4 14 4 3 29 8 11 7 17 7 6 25 33 31 5 2 40 7 8 87 0 4 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 3 2 2 3 4 2 2 2 2 2 2 3 3 2 2 3 3 3 3 5 3 2 3 3 4 3 5 7 11 6 7 22 29 7 6 6 6 5 30 87 13 9 4 2 4 5 3 2 9 54 90 14 5 3 12 24 19 2 7 9 2 73 53 6 4 3 2 2 2 2 2 3 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 3 2 3 3 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 85 85 d 1H J 14 \| 83 83 s 1H \| 80 79 d 1H J 117 \| 75 74 m 1H \| 72 72 dq 1H J 9 19 \| 72 71 t 1H J 80 \| 71 70 d 1H J 14 \| 69 68 dd 1H J 12 81 \| 68 68 dq 1H J 9 77 \| 51 51 s 2H \| 40 39 ttd 1H J 49 57 64 \| 34 33 d 1H J 49 \| 31 30 dd 1H J 64 170 \| 29 28 dddd 1H J 8 63 90 143 \| 28 27 m 2H \| 21 20 dddd 1H J 56 63 90 135 \| 19 18 dddd 1H J 57 64 92 137	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(N(C)C(=O)OC(C)(C)C)n1	ir: 7 7 26 15 24 14 3 6 12 7 1 9 24 11 7 7 7 6 4 7 9 2 1 5 6 2 1 5 6 2 3 6 5 1 3 7 7 1 8 6 11 0 4 7 7 21 37 33 11 3 5 7 4 0 3 7 4 1 4 8 5 2 7 9 7 5 7 7 3 11 13 13 3 1 6 10 5 3 8 11 8 13 16 6 2 2 5 5 2 2 5 5 2 3 6 5 2 3 7 5 1 4 7 6 1 3 6 4 0 4 8 5 3 7 13 6 6 8 16 10 9 14 19 34 23 11 16 12 10 19 18 11 8 21 9 5 5 100 34 39 2 8 10 14 5 11 6 2 3 23 26 73 12 7 11 23 71 42 10 4 4 6 5 2 3 7 4 1 3 6 4 0 3 6 3 0 4 6 3 1 4 6 3 1 4 6 3 1 4 5 2 2 4 5 2 2 5 5 2 2 5 5 2 2 5 5 2 2 5 4 1 2 5 4 1 3 6 4 1 3 6 4 1 3 6 4 1 3 6 3 1 4 6 3 1 4 6 3 1 4 6 3 1 4 5 3 1 4 5 2 2 4 5 2 2 5 5 2 2 5 5 2 3 5 4 2 3 5 5 2 6 10 6 3 3 6 4 2 5 6 5 5 13 14 20 13 16 70 71 16 6 7 4 2 4 6 3 2 4 6 3 1 4 5 3 2 4 5 3 2 5 5 2 2 5 5 2 2 5 4 2 2 5 4 2 3 5 4 1 3 5 4 1 3 5 4 1 3 6 3 1 3 6 3 1 3 6 3 1 4 5 3 1 4 5 3 2 4 5 3 2 4 5 2 2 4 5 2 2 4 4 2 2 5 4 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 4 1 3 5 4 1 3 5 3 1; 1HNMR: 75 74 t 1H J 73 \| 73 73 dd 1H J 12 70 \| 70 69 m 1H \| 34 33 s 3H \| 25 24 s 3H \| 14 14 s 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(C(CCN2CCC3(CCNC3)CC2)c2ccccc2)cc1	ir: 4 5 3 2 3 3 4 3 3 2 1 2 3 2 2 3 3 4 6 3 3 2 1 3 2 1 1 3 4 10 13 22 75 31 8 9 8 3 29 33 24 67 15 32 20 5 5 9 12 5 4 2 4 3 2 4 6 8 11 33 9 11 9 29 21 16 14 6 30 21 11 16 10 7 5 4 9 10 6 6 13 21 34 10 6 4 6 19 36 17 20 17 4 5 6 5 4 11 3 15 5 14 27 17 33 49 57 19 12 23 16 10 31 18 19 6 5 4 11 10 8 14 11 10 4 9 6 5 6 3 4 3 3 4 23 47 9 4 4 3 3 8 6 47 11 14 12 13 2 2 3 2 13 5 4 2 1 2 2 2 4 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 2 3 1 2 2 8 5 3 4 6 2 6 7 9 16 14 76 96 100 23 12 10 3 6 4 5 2 3 1 2 1 2 2 6 3 7 55 37 5 3 2 3 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 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 73 72 d 8H J 50 \| 73 72 m 1H \| 72 72 m 1H \| 39 39 ddd 1H J 9 57 65 \| 29 28 m 2H \| 28 28 ddt 4H J 31 59 90 \| 26 25 m 5H \| 20 19 td 2H J 63 81 \| 18 17 m 4H \| 15 14 ddd 2H J 32 59 134	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCC1CCCCN1CCC(=O)OCC	ir: 0 1 3 1 2 2 3 3 5 3 3 4 2 1 2 1 2 5 3 1 1 1 1 2 4 2 2 1 4 3 1 1 1 1 1 0 1 1 1 1 1 2 3 2 1 2 1 1 1 2 1 1 2 2 1 2 2 2 2 0 1 2 4 4 1 1 1 1 1 1 1 1 9 7 2 3 6 4 1 2 6 20 3 2 2 2 1 1 3 3 1 1 4 7 4 5 8 4 2 5 4 6 2 2 2 2 2 1 3 2 1 4 6 4 6 5 5 5 3 5 6 5 2 4 7 6 3 4 6 6 3 2 2 2 3 5 6 7 5 3 3 3 4 55 100 18 6 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 4 3 4 2 2 2 2 2 4 6 8 6 2 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 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 42 41 dq 4H J 66 106 \| 30 29 dt 1H J 68 125 \| 28 27 m 2H \| 27 26 p 1H J 60 \| 26 25 m 3H \| 25 24 dt 1H J 85 154 \| 24 23 dt 1H J 86 156 \| 20 19 dtd 1H J 63 86 126 \| 19 18 m 1H \| 17 16 dtd 1H J 62 85 126 \| 16 15 m 4H \| 14 13 m 1H \| 13 12 t 6H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CCC2(C3CCCC3)CC(=O)C(=[N+]=[N-])C(=O)O2)cc1Cl	ir: 3 3 4 7 0 7 34 5 4 6 5 52 7 21 5 6 4 4 4 2 3 3 5 6 2 5 3 2 2 6 8 4 3 9 4 6 3 8 2 4 2 3 6 9 8 6 3 1 4 12 5 1 5 12 6 11 11 13 4 3 3 3 7 14 5 11 16 5 19 22 3 2 2 3 3 3 5 11 37 18 5 6 15 9 22 10 3 5 9 7 8 4 3 3 4 3 4 3 4 14 5 4 3 4 5 4 1 5 11 15 9 13 14 17 29 6 15 8 5 7 5 9 4 6 8 12 4 5 7 2 1 3 3 4 4 3 5 7 17 14 6 7 2 3 5 18 82 10 5 13 13 4 6 6 2 2 3 2 3 5 100 9 3 4 3 0 2 4 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 2 8 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 1 2 2 2 2 2 3 2 1 2 3 3 2 2 3 5 2 6 5 4 18 10 7 5 6 6 5 9 27 44 21 18 56 29 6 8 1 3 3 2 2 3 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 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 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3; 1HNMR: 71 71 dt 1H J 8 19 \| 70 70 ddt 1H J 8 18 84 \| 68 68 d 1H J 85 \| 39 39 s 3H \| 31 30 d 1H J 169 \| 29 28 m 1H \| 28 27 m 2H \| 24 23 p 1H J 53 \| 22 21 dt 1H J 79 148 \| 19 18 dt 1H J 79 148 \| 17 16 m 4H \| 16 15 m 2H \| 15 14 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC1CCCOC1	ir: 3 4 7 4 1 4 6 4 9 12 12 12 31 22 9 7 9 5 4 4 2 7 8 14 9 16 11 9 5 7 6 3 6 8 4 2 3 4 3 0 2 4 5 20 62 100 13 7 15 17 17 5 5 4 4 12 6 3 6 2 5 6 4 3 2 3 3 2 6 5 2 3 5 4 6 4 7 5 4 2 3 3 1 2 4 3 1 2 3 4 2 5 6 48 12 2 3 3 7 3 3 4 12 10 8 5 3 5 4 6 12 5 6 5 4 5 6 7 5 7 2 4 2 11 9 17 16 46 22 29 9 5 8 4 3 8 27 22 1 11 6 14 18 24 4 3 4 11 11 11 7 11 14 6 12 27 14 7 25 16 12 10 4 5 4 0 2 3 2 0 2 3 1 0 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 2 4 3 4 4 4 4 2 3 6 2 10 12 3 5 8 22 12 6 5 6 5 2 2 2 3 2 2 2 3 2 2 4 5 6 5 9 20 45 43 40 41 15 14 4 4 3 5 4 3 2 2 3 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2; 1HNMR: 98 98 s 1H \| 81 80 dd 1H J 13 88 \| 80 79 dd 1H J 11 84 \| 78 77 t 1H J 86 \| 76 76 s 1H \| 74 74 t 1H J 40 \| 59 59 d 1H J 90 \| 41 40 m 1H \| 39 38 dd 1H J 39 114 \| 37 36 m 2H \| 36 35 m 3H \| 31 30 m 2H \| 24 24 s 2H \| 21 20 m 1H \| 18 17 m 2H \| 17 16 ddtd 1H J 36 58 88 154	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(C2(CC(N)=O)CC3CCC(C2)N3c2ncccn2)c1	ir: 2 2 1 2 2 2 2 2 3 2 2 5 3 3 2 2 4 3 6 3 6 4 7 3 5 3 4 7 4 2 7 10 8 3 2 3 3 3 2 3 2 2 2 2 2 7 3 10 11 3 5 6 12 100 11 3 2 2 2 3 2 2 5 4 2 7 3 2 3 3 2 3 5 4 3 4 8 11 2 2 2 3 3 2 2 3 2 2 2 2 2 2 2 3 3 3 2 2 2 2 2 3 3 3 3 3 4 4 3 3 3 2 2 2 3 4 3 2 6 6 3 3 3 2 3 2 2 2 2 3 2 3 2 2 2 4 3 14 8 7 3 4 3 4 5 22 13 2 2 3 5 2 3 15 31 5 4 14 15 5 3 3 4 3 2 4 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 2 3 3 3 2 3 4 9 4 5 9 7 5 7 5 2 2 2 2 2 1 2 2 2 1 2 2 4 2 2 2 2 1 2 2 1 1 3 3 0 42 3 1 3 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 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; 1HNMR: 83 83 d 2H J 45 \| 72 72 m 1H \| 72 71 m 1H \| 68 68 ddd 2H J 14 21 59 \| 66 66 s 2H \| 65 65 t 1H J 45 \| 46 45 ttt 2H J 18 36 56 \| 38 38 s 2H \| 27 27 s 2H \| 22 21 m 2H \| 20 20 dd 2H J 60 131 \| 19 18 m 2H \| 18 17 dd 2H J 59 132	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC(C#N)(CCC(F)(F)F)Cc1cc(F)cc(F)c1	ir: 6 3 3 2 2 2 1 2 2 2 3 6 7 3 2 2 2 2 9 10 5 2 5 5 9 5 2 6 2 1 9 7 3 2 3 4 6 5 5 8 10 3 6 5 2 2 1 3 2 2 3 3 2 1 3 4 2 0 2 4 3 0 3 9 4 61 43 40 29 32 11 2 3 3 1 1 2 2 1 1 2 2 1 1 2 2 6 3 5 5 12 22 23 14 27 36 14 5 6 9 6 31 13 12 6 10 9 28 12 11 2 3 7 9 7 9 11 9 17 23 14 14 18 28 11 11 33 34 8 5 3 3 4 3 5 3 3 2 3 2 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 0 3 6 31 100 50 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 2 2 8 6 16 6 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 2 2 2 2 2 3 4 4 3 5 8 9 7 8 4 3 7 9 13 15 16 16 44 37 9 19 31 14 3 6 2 2 2 2 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 69 68 m 2H \| 68 68 dd 1H J 12 21 \| 31 31 t 2H J 10 \| 26 24 qt 2H J 76 142 \| 21 20 tq 2H J 25 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc(=O)[nH]c2ccccc12	ir: 7 6 12 5 26 5 2 6 14 10 6 10 6 5 5 7 7 5 5 23 15 9 43 14 6 5 5 5 5 5 6 7 6 8 20 17 15 5 9 7 77 12 33 52 10 6 5 7 6 5 8 7 6 4 6 6 9 4 6 7 8 4 5 8 10 35 97 23 14 4 6 7 7 8 9 13 7 5 6 6 4 4 6 7 9 5 6 6 4 4 7 8 6 6 7 30 5 5 7 6 5 10 15 17 17 8 7 7 9 14 7 7 4 7 12 6 5 15 10 6 3 6 8 6 9 7 9 10 23 9 7 5 8 6 7 4 4 8 10 4 5 8 14 9 6 7 9 3 4 9 8 0 39 100 10 10 7 6 8 33 31 6 6 10 89 39 7 5 5 6 5 4 5 5 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 6 5 4 4 6 5 4 4 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 4 4 5 6 5 4 5 5 4 4 5 6 4 4 6 5 4 4 5 5 4 5 6 5 5 6 6 5 4 5 6 5 5 5 6 6 4 7 9 11 10 8 39 72 48 16 10 6 5 8 7 6 4 6 7 5 5 6 6 7 5 7 7 9 13 22 74 27 19 18 10 7 6 6 6 5 5 6 6 4 5 5 5 4 5 5 5 4 5 5 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 5 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 6 5 4 5 6 5 4; 1HNMR: 76 76 dd 1H J 15 81 \| 74 74 td 1H J 15 79 \| 74 73 dd 1H J 14 81 \| 73 72 td 1H J 14 80 \| 64 64 m 1H \| 27 27 qd 2H J 13 76 \| 11 11 t 3H J 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(Nc2ccc(Br)cc2)c(N)c1	ir: 5 6 6 20 47 15 19 30 21 3 6 7 3 2 7 10 18 27 30 11 16 17 7 8 4 4 3 6 3 3 3 2 3 3 4 2 2 2 3 2 3 2 3 3 2 1 3 3 2 1 2 4 4 9 24 31 7 2 2 3 3 2 2 2 3 4 9 7 6 2 2 10 4 6 4 3 10 7 3 3 1 1 2 1 2 1 5 4 7 6 4 9 7 3 3 7 2 2 2 3 3 2 3 5 4 4 14 7 2 1 1 1 1 1 1 1 2 4 4 4 1 1 1 3 1 2 2 1 1 1 1 1 1 1 2 3 10 6 2 1 1 1 2 1 2 8 2 8 6 22 53 19 21 23 6 13 55 100 11 2 3 48 11 4 16 3 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 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 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 3 3 2 3 2 2 3 3 3 17 22 14 13 14 8 4 4 2 2 2 2 1 1 1 1 2 2 3 3 11 51 4 4 2 8 53 32 7 10 9 10 28 82 15 2 1 3 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 74 74 m 2H \| 70 70 m 2H \| 69 69 d 1H J 81 \| 69 69 m 1H \| 66 66 m 1H \| 57 57 s 1H \| 43 42 s 2H \| 22 22 d 3H J 9	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCS(=O)(=O)c1cc(N)c(O)c(Br)c1	ir: 0 3 3 6 9 17 16 13 7 7 4 1 1 2 8 4 2 2 2 1 2 9 17 3 3 2 2 1 1 2 2 1 1 1 2 1 6 5 4 2 2 4 3 2 2 1 1 0 1 2 1 1 1 2 1 0 1 1 1 2 5 3 1 0 18 20 4 5 2 4 2 1 1 2 1 0 2 4 3 1 2 2 0 2 9 38 8 3 6 12 21 13 3 1 1 1 1 1 1 1 1 2 0 1 2 9 20 13 5 2 1 1 6 8 1 1 1 2 3 3 3 1 3 12 5 1 0 1 1 1 1 1 1 1 0 1 1 9 14 2 1 0 0 1 1 0 0 12 5 1 1 4 7 13 8 2 2 4 3 1 2 4 3 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 2 1 1 2 1 1 0 0 1 1 0 1 2 1 0 1 1 1 2 2 1 1 2 2 2 1 4 8 9 9 5 10 2 1 0 1 2 4 85 11 1 1 1 0 1 1 1 1 5 11 0 1 1 1 1 1 1 2 2 2 88 100 4 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 81 80 s 1H \| 77 76 d 1H J 22 \| 71 70 d 1H J 20 \| 48 48 s 2H \| 34 33 q 2H J 92 \| 13 12 t 3H J 92	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCN(C)C(=O)c1cc(NC(C)=O)cc(C(=O)OC)c1	ir: 31 19 21 6 20 25 4 4 3 3 3 4 3 2 7 9 8 44 10 3 1 4 14 22 30 11 10 3 10 34 24 20 39 53 54 30 29 35 63 69 17 3 10 5 5 2 10 5 4 4 3 6 3 1 3 2 2 0 2 2 2 3 3 10 4 5 17 37 63 23 21 12 5 7 7 5 7 4 3 1 2 3 1 1 8 15 8 4 2 2 2 1 3 1 0 2 4 5 2 4 7 9 0 3 15 100 26 4 1 2 2 8 16 6 18 40 24 23 18 8 5 22 24 18 55 31 20 21 8 7 14 9 3 8 16 11 4 5 2 6 2 2 7 11 18 24 54 86 74 37 9 4 5 36 7 3 3 2 2 0 1 2 6 17 7 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 1 1 1 0 0 1 1 1 0 1 0 0 1 1 1 0 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 0 1 0 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 3 8 3 3 2 4 4 4 4 6 3 2 4 6 8 42 11 41 49 34 5 10 6 7 6 9 5 3 3 1 2 1 1 1 1 1 1 3 4 9 25 26 67 21 25 10 5 2 2 2 1 0 1 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0; 1HNMR: 95 95 s 1H \| 83 83 t 1H J 22 \| 82 82 m 2H \| 39 39 s 3H \| 33 33 t 2H J 69 \| 30 30 s 3H \| 22 21 s 3H \| 17 16 m 2H \| 10 9 t 3H J 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#Cc1ccc2c(c1)CC[C@]21NC(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)C1=O	ir: 2 3 9 7 3 13 6 10 2 14 4 6 4 4 1 0 1 2 1 1 1 2 3 1 1 2 3 5 6 4 7 6 4 2 1 2 9 6 16 5 7 12 15 7 14 8 7 7 6 3 3 2 1 7 9 21 3 0 1 2 1 2 2 1 2 1 2 4 6 6 2 2 4 4 4 3 2 2 6 2 3 2 2 1 1 2 2 5 2 5 2 5 2 2 9 2 1 4 2 5 3 3 1 1 1 1 1 1 1 1 2 3 3 9 3 3 6 3 4 5 8 3 3 7 16 4 7 11 7 2 2 3 15 9 8 9 5 5 4 3 2 5 2 7 7 4 4 5 12 25 4 4 10 1 2 3 2 8 100 11 1 2 1 1 1 0 1 1 0 0 0 1 0 0 1 1 3 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 2 2 2 1 1 2 3 3 5 9 9 18 35 22 4 7 4 3 1 2 1 1 0 1 1 0 0 3 37 3 2 1 0 1 4 10 11 8 8 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 94 94 s 1H \| 74 73 dd 1H J 21 83 \| 73 72 m 5H \| 73 73 s 2H \| 46 45 m 3H \| 41 41 dt 1H J 8 125 \| 35 34 p 1H J 56 \| 33 32 dddd 1H J 8 54 71 154 \| 32 31 dddd 1H J 7 53 71 154 \| 31 31 s 1H \| 27 26 ddd 1H J 55 73 141 \| 25 24 ddd 1H J 55 72 141 \| 19 18 ddq 1H J 15 67 125 \| 12 12 dd 3H J 15 56 \| 6 5 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.
O=C(O)c1cc(C2CC2)cnc1Nc1ccc2ccn(Cc3ccccc3)c2c1	ir: 2 3 2 1 1 1 0 2 1 1 1 1 2 1 4 2 6 4 1 4 4 4 14 27 9 4 8 6 3 4 9 5 9 21 6 4 5 3 8 8 23 16 20 6 2 2 1 3 1 3 1 0 1 2 22 7 1 2 1 0 1 1 1 1 1 2 2 4 4 2 1 0 1 3 1 1 5 19 3 3 15 2 1 1 1 2 3 2 2 2 1 1 1 2 2 1 2 3 2 1 1 2 8 5 5 4 1 1 5 3 2 1 1 1 1 1 1 1 32 3 0 1 2 1 4 1 1 2 1 1 9 2 2 2 4 14 2 2 3 13 11 2 3 16 5 3 5 10 3 2 1 2 6 4 3 6 6 7 60 100 4 1 1 8 1 4 7 2 1 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 1 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 0 0 1 1 1 0 1 1 1 1 1 1 1 1 4 2 2 3 10 7 34 20 7 6 4 3 2 1 1 5 66 22 3 2 1 1 1 1 1 1 2 2 6 4 5 21 12 6 4 3 3 1 1 1 2 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 81 81 m 2H \| 79 78 m 1H \| 74 72 m 6H \| 72 72 dd 1H J 22 77 \| 72 71 dq 2H J 11 67 \| 66 66 dd 1H J 10 49 \| 54 53 d 2H J 10 \| 30 29 m 1H \| 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.
CCc1sc(C(C)=O)cc1-c1ccccc1C	ir: 6 2 1 7 13 8 4 3 5 3 1 3 4 2 1 5 9 8 4 3 4 2 1 3 3 2 4 10 9 5 31 100 19 2 1 7 5 7 5 5 5 25 49 27 3 4 3 5 3 0 2 4 2 0 2 4 2 0 2 5 3 0 3 4 3 0 4 7 10 19 34 9 4 14 24 22 4 1 5 4 2 2 5 5 5 3 6 6 5 6 9 6 2 2 4 3 1 3 5 5 6 5 4 3 1 2 4 3 1 4 9 3 3 10 18 15 6 7 11 5 4 6 11 8 10 7 15 30 16 18 10 5 3 4 5 5 9 22 6 3 25 12 9 90 53 15 11 42 31 12 4 1 2 4 4 1 2 4 2 1 3 9 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 2 4 1 1 3 3 1 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 4 4 8 5 4 1 4 4 4 2 4 6 7 2 8 17 19 11 15 30 28 24 40 9 5 2 3 4 3 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 78 77 m 2H \| 74 73 m 2H \| 73 72 td 1H J 13 76 \| 30 29 q 2H J 69 \| 26 26 s 2H \| 25 24 d 3H J 7 \| 13 13 t 3H J 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-c2nn(C)c(O)c2C=O)ccc1OC(C)C	ir: 5 6 0 4 9 6 4 4 8 4 3 6 6 3 3 6 9 4 2 6 5 2 2 5 8 3 4 10 11 4 15 12 7 4 12 6 6 1 2 5 4 2 3 5 4 1 2 6 5 1 2 6 4 1 10 17 22 3 4 7 5 0 4 6 4 1 10 10 5 12 8 14 10 5 7 7 3 5 6 7 34 9 6 5 2 2 7 9 4 6 100 18 5 4 4 3 2 3 4 5 7 3 5 4 1 14 8 4 3 3 5 8 5 4 7 4 3 4 8 4 1 5 6 3 5 6 6 4 2 7 6 3 2 19 10 30 5 4 4 7 1 4 4 4 5 4 4 12 2 4 5 10 5 8 4 1 2 4 3 8 5 5 3 3 5 5 3 0 2 5 3 0 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 2 4 4 1 2 4 4 1 2 4 3 1 2 4 3 1 3 4 3 1 2 4 3 1 2 5 3 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 4 4 2 2 4 4 2 2 5 5 2 3 4 4 3 6 4 3 2 5 5 3 2 3 6 3 2 4 12 16 3 12 30 22 1 4 5 3 2 10 78 12 3 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 3 4 3 2 4 3 2 2 4 3 2 3 5 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1; 1HNMR: 75 75 dd 1H J 22 92 \| 74 74 m 1H \| 69 69 d 1H J 92 \| 46 45 p 1H J 57 \| 36 36 s 3H \| 22 22 s 3H \| 13 13 d 7H J 55	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(CCS(=O)(=O)c2ccc(OCc3ccccc3)c3[nH]c(=O)ccc23)cc1	ir: 5 6 0 5 6 3 2 6 5 2 3 3 16 4 2 3 2 1 1 1 2 2 1 3 4 12 6 4 3 2 2 5 3 6 7 10 6 3 5 25 16 7 5 36 31 20 88 15 6 5 1 1 1 3 32 8 4 2 2 0 1 2 4 2 4 11 3 1 6 23 4 3 2 3 2 1 2 3 2 1 1 2 1 32 11 8 18 37 5 11 3 5 3 2 4 7 4 4 4 2 1 2 1 3 5 25 10 5 15 5 2 2 4 2 3 5 6 6 5 3 3 11 5 2 2 3 2 2 4 4 1 2 2 4 4 14 23 20 3 1 2 4 6 6 3 4 7 8 5 6 2 7 25 44 100 17 4 2 2 3 11 2 2 8 18 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 6 1 2 1 2 1 2 4 4 15 17 32 65 19 12 10 11 6 5 2 3 3 1 1 1 1 1 1 1 1 1 1 3 8 5 8 10 63 4 3 2 1 1 1 3 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 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; 1HNMR: 82 82 d 1H J 100 \| 79 78 d 1H J 97 \| 74 73 m 5H \| 73 73 ddt 1H J 15 60 78 \| 72 72 d 1H J 97 \| 71 71 m 2H \| 70 70 dt 2H J 9 80 \| 65 65 d 1H J 99 \| 52 51 t 2H J 8 \| 35 35 t 2H J 99 \| 30 30 tt 2H J 10 99 \| 23 23 d 3H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)N1CCCC(NC(c2ccccc2)(c2ccccc2)c2ccccc2)C1	ir: 0 7 2 2 2 4 4 3 3 24 11 6 6 2 3 3 4 2 2 2 2 1 1 1 2 1 1 1 2 3 3 10 2 9 23 6 2 10 2 3 12 65 35 7 25 15 20 9 5 4 2 3 1 1 1 2 1 1 6 6 4 1 5 4 3 2 3 2 5 11 10 9 3 1 2 6 8 8 3 2 3 2 5 2 3 1 1 2 1 1 1 1 1 1 3 3 3 1 1 2 1 2 2 5 5 7 1 3 3 3 2 16 7 5 6 13 6 7 7 3 19 16 64 9 5 10 28 8 14 5 5 3 2 14 6 22 46 6 3 2 3 2 5 17 67 14 7 3 2 4 18 3 2 14 2 1 1 2 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 3 2 3 2 2 2 2 2 4 9 7 3 28 80 24 9 5 2 3 4 3 3 1 3 1 1 2 2 2 1 4 4 6 100 21 0 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; 1HNMR: 73 73 m 5H \| 73 73 s 11H \| 41 41 d 1H J 75 \| 37 37 dd 1H J 32 117 \| 37 37 s 3H \| 36 35 m 2H \| 35 33 m 2H \| 20 18 m 2H \| 18 17 m 1H \| 17 16 dddd 1H J 47 56 82 130	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C1c2nc[nH]c2CCN1C(=O)OCc1cccnc1	ir: 4 10 10 10 9 8 15 13 2 9 19 45 63 12 8 5 4 8 9 10 4 6 6 2 1 9 11 8 6 7 8 21 34 49 67 5 6 6 13 7 5 11 6 1 2 7 5 1 4 7 4 2 25 7 6 2 5 10 9 4 7 20 19 18 14 7 3 1 10 26 23 4 5 6 4 3 5 7 2 2 8 8 2 2 4 6 2 1 5 4 3 5 12 15 8 5 11 16 21 24 14 6 2 5 9 8 4 5 7 11 11 23 49 9 4 7 7 5 10 16 15 17 20 18 26 18 9 30 54 16 8 14 40 11 4 11 10 1 2 54 21 5 4 59 30 6 4 8 13 6 21 49 13 37 7 9 7 2 57 13 6 2 3 4 3 0 2 4 3 0 2 5 2 0 2 5 2 0 3 5 2 0 3 4 2 0 3 4 2 1 3 4 1 1 3 4 1 1 3 4 1 1 4 3 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 0 2 5 3 0 2 5 2 0 2 4 2 0 3 5 2 0 3 4 2 0 3 4 2 1 3 4 2 1 3 4 1 1 3 4 1 1 4 3 1 2 4 3 1 2 4 4 1 2 5 4 1 3 5 3 1 5 7 6 3 5 10 4 5 12 13 28 58 22 17 4 1 3 6 3 1 3 5 2 0 3 5 2 1 4 4 2 1 5 6 4 9 50 100 13 10 8 5 3 2 4 3 2 3 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4; 1HNMR: 85 85 m 2H \| 78 77 dtt 1H J 9 20 77 \| 77 76 d 1H J 64 \| 76 75 dd 1H J 43 76 \| 53 53 d 2H J 11 \| 51 51 ddq 1H J 15 31 72 \| 40 39 m 2H \| 31 29 m 2H \| 25 23 m 1H J 75 \| 11 10 ddd 6H J 16 77 218	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1C(O)(C=C(C)C)c1ccccn1	ir: 1 1 2 14 4 4 8 19 9 4 11 14 19 6 10 3 4 7 8 3 1 1 1 0 1 1 1 5 1 2 1 8 1 1 1 1 5 8 8 29 16 7 43 13 2 1 1 0 1 1 1 1 2 2 20 10 2 2 12 4 1 2 2 2 6 5 5 4 3 1 4 12 1 6 2 6 8 2 5 11 2 1 5 6 2 1 3 5 32 26 2 2 2 1 8 2 3 3 7 5 1 1 27 6 2 9 4 2 4 5 7 2 1 1 1 1 2 2 2 1 2 5 4 2 2 1 1 1 1 2 2 1 1 1 3 10 47 14 2 2 1 1 1 2 1 1 1 2 6 11 4 1 2 0 6 5 6 33 1 5 2 0 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 1 1 2 1 1 0 1 1 1 1 1 1 1 2 3 5 4 24 100 23 6 3 2 10 55 9 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 dd 1H J 16 33 \| 77 76 dd 1H J 14 74 \| 76 75 ddd 1H J 17 68 75 \| 73 73 dd 1H J 13 77 \| 73 72 m 2H \| 72 71 ddd 1H J 12 71 81 \| 69 69 dd 1H J 12 70 \| 56 56 hept 1H J 12 \| 51 50 s 1H \| 38 38 s 2H \| 18 17 p 3H J 12 \| 17 16 p 3H J 13	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc(N)c2nc(CNc3ccc(C(=O)O)cc3)cnc2n1	ir: 6 11 4 3 16 5 7 11 5 6 29 28 46 15 10 15 14 9 8 9 6 13 30 17 8 6 4 4 3 3 2 2 3 5 2 3 2 3 2 2 2 3 2 1 1 1 3 8 10 4 11 2 10 1 9 2 11 6 2 4 5 2 1 2 1 2 1 2 7 30 18 6 2 2 4 6 4 7 6 4 4 16 9 1 1 2 1 1 5 2 1 1 1 1 1 2 3 1 2 6 3 3 1 1 0 4 1 3 9 7 1 1 2 2 2 4 5 2 1 4 9 13 4 7 7 3 4 2 1 2 1 2 2 2 4 9 9 6 1 5 10 9 14 25 100 53 21 4 6 6 4 21 32 26 17 1 12 30 12 3 56 3 1 1 2 2 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 1 0 0 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 1 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 2 2 6 8 4 1 1 1 2 1 1 1 10 14 1 0 2 2 1 0 4 22 10 5 3 5 6 21 35 19 5 5 3 12 44 35 4 2 1 1 1 2 1 1 0 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 d 1H J 9 \| 79 78 m 2H \| 72 72 s 2H \| 70 70 m 1H \| 68 68 m 2H \| 63 62 s 2H \| 46 45 dd 2H J 9 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1=CCCC=C(C)CCC(C)=CCC1	ir: 1 4 2 1 1 1 1 1 1 2 4 4 1 2 6 3 2 1 1 5 1 1 1 1 2 6 4 5 3 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 0 7 2 1 1 2 3 4 5 4 5 6 10 7 2 1 3 3 8 4 11 18 16 28 9 4 1 1 1 1 1 1 1 1 1 1 1 1 2 7 6 6 1 1 1 5 8 7 6 4 4 1 1 1 1 0 1 4 2 0 7 55 18 5 6 1 10 14 22 11 17 7 4 2 1 3 2 5 5 6 3 2 6 5 2 2 4 8 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 1 5 2 10 4 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 2 1 2 3 5 5 3 4 4 6 4 5 3 7 3 5 3 35 63 100 94 9 6 9 4 5 6 4 2 0 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 52 51 qdq 3H J 20 40 58 \| 22 21 m 12H \| 17 16 dd 9H J 19 147	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN1CCC(c2cccc(OC(F)(F)F)c2F)CC1	ir: 2 2 1 1 0 5 1 2 2 3 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 0 1 3 1 0 1 2 15 17 2 1 2 4 3 1 2 8 17 6 1 0 1 2 5 2 1 1 2 0 1 1 1 0 1 1 2 1 3 2 2 2 3 3 3 7 3 2 1 4 26 3 3 2 2 2 9 9 1 2 1 1 1 15 1 2 3 33 39 100 25 86 37 5 6 3 10 7 0 2 4 2 1 3 4 1 1 2 2 2 2 1 1 2 1 1 2 2 3 2 2 6 3 5 10 3 1 17 4 5 6 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 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 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 3 1 3 2 2 5 10 5 6 33 32 4 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 71 71 m 1H \| 71 70 m 2H \| 30 29 m 3H \| 26 25 q 2H J 70 \| 25 24 ddd 2H J 50 78 121 \| 21 20 ddt 2H J 51 79 129 \| 19 18 ddt 2H J 51 79 129 \| 11 10 t 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C)c1ccccc1OC1CCNCC1	ir: 3 2 2 3 2 2 2 2 3 2 3 2 3 2 2 2 2 2 2 2 2 2 3 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 14 44 32 63 6 5 0 4 5 25 100 35 2 4 6 4 3 7 2 2 2 3 2 10 79 7 4 5 2 4 4 4 6 10 21 4 2 3 3 2 1 2 3 3 2 2 2 2 2 3 3 4 3 4 3 2 3 2 2 2 2 2 3 3 4 4 6 8 16 33 17 53 7 10 7 2 14 8 18 5 5 4 4 5 8 9 7 13 6 14 8 10 3 3 3 9 9 5 2 2 3 4 5 8 8 3 2 17 13 25 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 4 4 4 4 3 4 5 4 4 5 11 7 18 37 36 25 13 4 3 2 2 2 3 2 2 2 2 2 2 5 4 4 9 38 26 25 14 6 4 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 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 73 72 m 2H \| 72 71 td 1H J 12 76 \| 69 68 dd 1H J 12 85 \| 45 44 m 2H \| 32 31 dddd 2H J 29 39 55 134 \| 30 29 m 1H \| 30 29 ddd 1H J 9 33 57 \| 29 28 m 1H \| 22 21 m 2H \| 19 19 dddd 2H J 29 49 57 138 \| 18 17 dqd 1H J 60 77 126 \| 15 14 dqd 1H J 59 76 124 \| 12 12 d 3H J 75 \| 9 8 td 3H J 15 77	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC1(C)Oc2cccc(O)c2O1	ir: 21 15 7 58 33 6 5 8 7 5 5 12 60 40 14 6 9 6 4 4 7 7 5 4 3 3 3 3 4 3 3 5 5 3 3 4 3 3 3 5 5 3 3 4 4 3 5 38 20 11 3 4 4 3 3 5 4 3 3 4 4 5 4 4 4 5 12 8 8 7 4 4 5 8 24 14 6 4 3 3 3 3 4 6 8 35 27 4 4 4 7 18 18 8 3 5 26 22 11 29 39 6 6 19 30 6 7 5 3 4 17 14 7 3 5 4 3 4 5 3 3 5 6 8 11 10 7 5 4 6 4 3 3 3 4 3 6 4 4 9 10 4 3 3 3 3 3 3 6 5 4 3 3 3 3 3 16 28 4 2 3 3 3 2 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 6 5 3 3 3 4 4 4 4 4 5 4 5 25 13 8 8 33 11 2 4 6 3 0 9 100 13 5 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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: 69 69 s 1H \| 69 68 m 2H \| 68 67 dd 1H J 14 67 \| 39 38 dq 1H J 59 117 \| 38 37 dq 1H J 59 117 \| 17 17 s 2H \| 13 12 t 3H J 59	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2snc(C(F)(F)F)c2COc2ccc(CCC(=O)O)c(C)c2C)c(F)c1	ir: 3 4 1 3 7 5 14 8 9 9 9 10 32 24 20 16 27 51 27 35 78 85 34 44 23 7 3 7 6 4 3 3 3 3 4 5 3 4 7 7 10 8 6 8 18 11 3 6 6 7 4 8 29 100 34 16 9 11 7 24 6 4 2 1 9 17 40 21 8 5 10 11 3 9 6 28 26 40 89 72 15 5 7 9 5 9 15 9 13 5 5 5 7 14 13 11 7 39 65 56 8 19 8 5 3 1 1 2 3 4 3 2 7 4 10 6 10 3 2 5 3 5 7 3 12 6 8 4 6 2 3 3 6 7 7 10 11 3 3 3 13 14 31 34 13 19 14 10 9 28 5 4 9 9 2 1 1 1 1 2 2 4 1 1 0 0 0 0 0 0 0 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 1 1 1 2 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 1 1 1 1 3 3 2 3 3 4 5 5 2 4 3 2 7 6 15 27 22 39 27 17 8 2 3 2 2 2 3 8 10 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 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 dd 1H J 50 73 \| 72 71 ddd 1H J 9 23 73 \| 70 69 m 1H \| 69 69 dt 1H J 9 86 \| 67 66 d 1H J 86 \| 56 56 s 2H \| 29 29 ddd 2H J 10 81 90 \| 27 26 m 2H \| 23 23 d 3H J 9 \| 22 22 s 3H \| 21 21 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCCCOc1ccc(OC(CC)C(=O)O)cc1	ir: 0 1 0 1 0 1 2 2 1 4 5 5 5 6 4 3 3 3 4 14 14 30 51 29 10 5 6 3 1 2 1 0 1 1 1 1 1 4 4 4 2 1 2 1 1 2 1 2 3 1 1 2 1 5 8 28 6 6 3 2 1 1 1 1 1 2 3 7 9 8 2 4 3 3 2 3 4 15 27 25 5 3 2 1 1 2 3 5 5 2 1 1 2 2 2 3 5 5 1 1 1 1 0 1 1 1 4 6 5 5 3 5 5 2 1 3 6 5 6 7 10 4 3 2 2 3 3 3 1 1 0 1 1 0 0 0 1 0 1 2 4 1 7 16 17 2 7 20 21 4 2 3 9 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 2 3 3 3 2 1 0 3 3 2 13 8 16 11 39 15 2 1 1 1 1 3 2 66 100 17 5 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 94 94 s 1H \| 69 68 m 2H \| 68 68 m 2H \| 45 45 tq 1H J 15 53 \| 40 40 t 2H J 63 \| 21 20 dqd 1H J 54 77 132 \| 18 17 m 3H \| 15 14 p 2H J 73 \| 13 12 m 16H \| 11 10 td 3H J 15 76 \| 9 9 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CNC(=O)CNC(=O)CNC(=S)CC(=O)c1ccccc1	ir: 4 2 1 5 7 3 6 5 10 8 4 4 3 4 2 4 7 9 1 10 33 40 28 18 15 9 17 10 8 10 22 17 14 30 40 36 52 35 37 59 22 15 13 9 6 5 5 3 4 4 2 5 5 1 3 10 5 7 6 2 1 0 2 2 1 0 1 2 2 2 2 2 1 0 2 2 3 4 7 14 3 3 2 2 1 2 4 2 4 3 3 2 1 1 2 2 2 4 3 3 1 3 1 1 1 1 2 2 2 2 3 2 3 6 3 3 3 2 6 4 6 9 22 21 18 24 10 14 7 7 6 2 1 3 5 1 0 3 5 2 17 49 100 69 34 24 25 21 9 18 16 6 3 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 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 1 2 2 4 7 3 3 3 1 3 4 8 18 18 12 17 34 17 4 4 2 2 3 3 4 46 54 6 6 1 1 2 3 2 3 5 5 24 28 75 94 87 24 7 5 6 4 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 90 89 t 1H J 58 \| 80 79 m 2H \| 76 75 m 1H \| 75 75 m 3H \| 72 71 t 1H J 57 \| 40 39 d 2H J 57 \| 39 39 d 3H J 64 \| 38 38 d 2H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2nc(NC(=O)c3ccc(C(C)(C)O)cc3)cc(N3CCc4nc[nH]c(=O)c4C3)n2n1	ir: 9 7 9 8 8 8 8 8 7 8 9 10 7 8 15 13 10 9 6 6 8 7 8 6 6 6 6 7 9 9 10 7 8 6 8 13 10 8 7 19 13 9 9 7 10 12 21 49 21 14 20 21 26 16 10 10 12 7 7 7 7 5 7 7 6 6 8 15 6 11 8 12 21 21 14 13 10 11 10 10 8 16 17 11 8 7 6 12 18 9 8 8 12 12 10 9 9 9 11 9 5 14 9 18 8 7 7 6 5 6 7 7 10 14 12 8 7 7 9 7 5 7 12 8 8 7 8 7 16 20 12 6 5 8 8 13 5 7 9 4 13 12 20 22 100 19 12 56 32 13 13 23 11 10 9 4 5 14 24 0 59 27 7 34 16 5 6 8 6 3 5 7 5 3 5 6 5 4 5 6 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 5 5 5 5 4 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 7 6 7 5 6 6 6 6 6 6 7 6 6 8 7 14 8 14 24 25 45 18 12 6 6 16 43 16 10 6 5 7 6 6 7 6 7 7 7 6 11 42 47 53 19 7 6 8 9 8 5 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 95 94 s 1H \| 83 83 d 1H J 77 \| 78 78 m 2H \| 73 73 m 2H \| 67 66 s 1H \| 59 59 s 1H \| 45 45 s 2H \| 38 38 m 2H \| 31 31 s 1H \| 29 29 m 2H \| 24 24 s 3H \| 15 14 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](N[C@H]1CC[C@@H](c2ccc(OCC#N)cc2)C1)c1cccc2ccccc12	ir: 1 2 3 2 5 4 4 5 6 8 1 6 2 4 3 4 4 4 4 3 4 2 2 4 10 7 1 1 2 3 2 1 1 3 3 1 2 12 1 1 5 9 6 12 11 92 55 25 24 52 17 13 11 14 21 38 8 5 9 10 15 7 4 5 6 6 8 21 5 22 11 7 2 3 10 10 5 3 9 6 3 4 9 6 2 2 9 7 6 4 3 2 3 8 18 3 6 9 7 6 5 4 8 11 26 17 26 14 5 9 4 5 7 13 13 6 16 30 24 13 3 8 11 7 16 10 10 8 8 13 4 4 5 13 11 6 9 16 11 3 3 3 2 1 2 3 6 9 64 34 4 19 15 8 3 4 1 1 3 6 3 1 2 2 1 0 1 1 0 0 1 1 0 0 0 1 1 1 2 12 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 1 0 1 1 1 1 1 1 1 1 2 2 1 4 2 4 3 4 2 1 5 8 6 6 17 20 35 95 100 14 17 6 3 3 2 1 1 2 2 1 1 1 3 3 2 13 39 47 8 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 0; 1HNMR: 81 80 m 1H \| 79 79 dt 1H J 13 84 \| 79 78 dt 1H J 17 68 \| 76 75 m 2H \| 75 74 m 2H \| 71 71 m 2H \| 69 68 m 2H \| 49 48 dtd 1H J 53 60 88 \| 48 48 s 2H \| 30 29 ddddd 1H J 13 20 45 52 92 \| 29 28 m 1H \| 21 20 m 2H \| 20 18 m 2H \| 18 16 m 3H \| 15 14 d 3H J 59	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(CC)n(C)n(-c2ccc(F)cc2)c1=O	ir: 0 2 4 2 1 3 3 1 1 3 4 2 0 12 3 1 1 2 3 2 1 1 2 1 0 2 2 0 1 2 2 0 2 2 1 0 1 2 3 1 2 3 3 11 24 8 5 1 6 6 3 1 1 1 4 6 23 8 4 3 3 2 1 1 1 2 1 0 4 3 2 0 4 2 6 1 10 6 3 6 4 8 2 1 2 2 5 1 2 2 0 1 2 1 0 1 2 2 2 2 5 3 0 2 8 18 0 1 3 1 0 2 4 3 3 3 4 3 1 2 2 2 0 5 6 4 1 4 2 2 1 2 2 9 2 2 2 5 0 1 1 0 0 2 2 1 1 2 66 4 100 3 4 1 1 2 2 43 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 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 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 4 0 2 2 2 0 2 4 1 1 1 3 1 1 8 13 8 49 15 4 3 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 77 76 m 2H \| 71 70 m 2H \| 43 43 q 2H J 71 \| 33 32 s 2H \| 26 25 q 2H J 77 \| 13 12 t 3H J 71 \| 12 11 t 3H J 77	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1csc(C2(c3ccc(Br)cc3)CCOCC2)n1	ir: 7 6 5 4 9 4 5 9 17 19 3 12 5 6 3 7 7 6 2 3 9 4 2 8 6 1 2 4 5 2 2 6 4 2 3 8 8 4 5 7 8 4 11 18 9 6 13 16 11 8 7 16 19 27 29 35 22 14 5 13 8 2 10 10 8 4 8 8 6 6 11 7 9 14 11 18 9 9 8 7 7 6 32 62 15 24 32 31 27 14 16 16 12 17 31 8 9 6 8 4 10 6 10 22 29 12 14 5 2 7 12 12 4 14 18 19 9 14 25 33 30 33 28 30 23 14 22 11 13 14 13 15 6 12 11 15 28 29 13 7 5 7 6 2 5 11 11 8 9 18 7 2 3 7 6 1 2 5 4 1 2 5 4 1 3 5 3 1 2 5 2 0 2 4 2 0 3 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 4 2 1 4 3 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 0 2 4 3 0 2 4 2 0 2 5 2 0 2 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 2 4 4 2 2 4 4 1 2 5 5 2 3 7 6 3 4 8 8 18 14 37 18 13 10 20 18 12 17 99 45 86 67 44 41 43 21 22 13 26 59 90 100 17 16 11 7 4 5 4 4 2 5 8 3 4 6 7 5 7 8 6 4 2 4 5 2 2 4 4 2 2 4 3 1 2 4 3 1 3 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 4 2 1 2 4 2 1; 1HNMR: 75 74 m 2H \| 72 72 m 3H \| 47 46 dd 2H J 9 51 \| 41 41 t 1H J 50 \| 39 38 ddd 2H J 35 61 112 \| 37 37 ddd 2H J 35 62 114 \| 25 25 ddd 2H J 35 62 156 \| 23 22 ddd 2H J 35 62 156	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(OCc5ccccc5)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5	ir: 6 7 9 7 6 12 7 8 8 7 9 12 11 21 10 21 11 7 14 10 7 7 8 9 9 10 7 10 8 9 9 7 6 7 6 8 12 6 7 16 11 13 5 10 8 18 6 5 6 8 6 6 9 13 25 8 8 6 9 6 10 6 10 6 6 14 17 10 8 14 8 9 6 19 13 5 10 10 9 13 9 57 8 9 9 13 23 16 27 57 20 11 10 14 19 21 32 9 14 7 16 7 7 9 17 8 6 6 6 5 5 5 6 6 7 8 10 7 6 8 15 7 7 6 8 6 7 8 7 8 7 6 5 6 7 14 7 5 5 5 6 6 8 14 8 6 8 11 7 6 5 6 6 8 5 6 6 4 5 6 5 5 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 5 5 5 5 4 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 6 5 5 6 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 7 6 5 6 7 8 5 7 8 9 13 11 10 26 10 15 67 20 6 9 19 9 0 80 100 15 25 6 1 7 9 4 3 7 7 4 3 7 8 4 4 7 6 4 4 6 6 4 5 6 5 4 4 6 5 4 5 6 5 4 5 6 5 4 4 6 5 3 4 6 5 4 5 6 5 4 5 5 5 4 5 6 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5; 1HNMR: 74 73 m 4H \| 73 73 m 1H \| 67 67 d 1H J 82 \| 66 66 dt 1H J 8 83 \| 51 51 t 2H J 8 \| 48 47 d 1H J 53 \| 41 41 dtd 1H J 42 56 71 \| 40 39 dd 1H J 43 70 \| 38 38 d 1H J 59 \| 32 32 ddd 1H J 9 71 139 \| 31 30 m 1H \| 31 31 s 1H \| 29 29 ddd 1H J 8 42 138 \| 28 28 ddd 1H J 38 65 123 \| 24 24 d 2H J 38 \| 24 23 ddd 1H J 38 65 130 \| 22 19 m 3H \| 18 17 ddd 1H J 73 97 137 \| 17 16 ddt 1H J 70 97 138 \| 9 8 pt 1H J 38 61 \| 3 2 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccccc1CN(CC(=O)O)C(C(=O)OC(C)(C)C)[C@@H]1CCCN1	ir: 3 6 9 9 8 7 12 11 19 19 17 20 6 16 20 5 3 18 22 19 100 80 39 47 34 10 5 10 6 51 5 7 5 1 0 5 4 1 6 11 9 30 22 9 9 14 8 8 22 11 17 19 13 16 24 10 28 4 2 6 18 78 22 11 11 6 38 20 22 8 25 6 4 2 8 8 9 23 42 43 10 16 18 20 12 3 14 9 12 14 24 29 16 11 7 8 5 4 6 7 17 5 14 6 7 24 40 18 64 24 7 16 32 24 38 28 32 11 3 16 15 26 16 7 5 9 7 9 9 16 15 16 5 6 6 5 17 11 7 2 5 11 9 30 25 14 16 75 9 27 3 3 2 1 2 2 2 1 2 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 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 2 2 3 5 7 2 3 3 5 5 6 5 5 3 8 6 11 9 41 14 29 40 18 12 3 4 2 3 2 2 5 14 4 3 2 5 3 5 3 9 88 55 3 4 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; 1HNMR: 99 98 s 1H \| 72 71 m 5H \| 40 39 m 2H \| 38 37 dd 1H J 6 142 \| 37 36 d 1H J 143 \| 36 35 d 1H J 145 \| 34 33 dd 1H J 16 73 \| 33 32 m 1H \| 30 29 m 1H \| 29 28 m 1H \| 24 23 s 3H \| 20 19 m 1H \| 19 18 m 1H \| 18 16 m 2H \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCCOc1ccc(C(=O)CC)cc1	ir: 5 6 2 7 1 5 4 6 6 7 3 3 4 3 5 3 3 4 5 8 20 21 23 26 12 8 12 7 7 3 3 4 7 12 14 20 20 8 10 5 9 6 5 5 8 8 16 26 24 12 6 2 3 10 3 17 18 16 19 11 2 4 3 3 4 9 4 7 3 15 5 7 7 10 8 24 7 1 3 2 1 1 2 3 1 2 2 5 4 4 1 3 5 2 3 5 8 2 7 12 10 6 5 2 5 6 9 6 10 7 12 19 13 11 11 9 14 22 28 12 8 11 11 16 11 12 9 5 4 7 3 4 20 9 8 6 7 3 5 9 50 100 40 35 85 54 20 3 11 24 19 21 8 9 3 1 1 3 2 0 1 2 7 6 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 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 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 1 2 2 1 2 3 5 6 7 9 9 6 4 4 6 3 10 30 43 24 56 50 51 15 4 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 m 2H \| 70 70 m 2H \| 42 41 q 2H J 66 \| 41 40 t 2H J 64 \| 34 33 q 2H J 76 \| 25 24 t 2H J 88 \| 21 20 tt 2H J 63 88 \| 13 12 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

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