Datasets:

DeerEyeRain
/

sel_dataset

Dataset card Data Studio Files Files and versions Community

Split (2)

train · 715k rows

Output stringlengths 5 127	Input stringlengths 850 1.64k	Instruction stringclasses 1 value
Cc1[nH]nc(N)c1-c1nc2cc(F)c(CO)cc2s1	ir: 4 4 4 3 3 3 3 3 5 6 6 4 9 11 7 23 7 8 5 4 4 3 3 3 3 3 3 4 5 5 6 10 5 4 3 3 4 4 3 3 3 3 3 3 3 2 5 3 12 3 17 5 3 3 4 3 3 3 3 3 3 3 4 3 3 5 4 8 8 5 3 2 3 3 3 5 3 3 3 6 3 3 3 3 3 5 10 6 5 5 3 4 4 5 2 3 5 10 3 3 3 2 2 2 3 3 2 8 17 18 5 3 2 2 3 2 2 3 3 3 5 3 3 3 3 4 3 3 3 3 3 4 3 3 2 2 2 2 3 2 3 3 3 2 2 5 4 3 3 3 3 8 12 6 10 1 6 29 6 5 3 0 5 3 3 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 3 3 4 4 3 4 3 3 3 3 3 3 3 3 3 3 4 3 3 4 3 5 14 6 3 4 4 6 3 13 100 11 5 4 4 3 3 3 3 2 22 9 6 3 3 4 2 3 4 21 5 4 6 57 9 2 3 3 3 3 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 92 92 s 1H \| 79 79 d 1H J 122 \| 78 77 dt 1H J 9 49 \| 60 60 s 2H \| 48 47 ddd 2H J 8 36 55 \| 35 35 t 1H J 55 \| 25 25 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(=O)N1CCN(c2ccc(C)cc2C(C)(C)C)CC1	ir: 6 8 8 5 8 8 2 2 6 2 1 3 5 2 1 7 6 2 4 7 20 8 8 3 8 3 2 2 3 3 6 5 8 2 100 29 12 5 5 2 1 5 2 2 3 2 3 3 3 3 2 3 7 20 12 3 7 3 5 3 3 4 7 8 7 3 4 12 3 3 8 6 14 5 6 9 3 2 2 2 3 4 1 2 3 2 4 8 9 13 5 18 22 11 22 57 25 17 13 25 11 7 14 5 1 2 4 3 2 5 6 6 12 10 13 4 3 8 7 12 2 5 5 5 4 4 8 7 5 5 5 6 3 7 6 12 7 7 10 11 13 10 22 5 8 7 31 13 4 15 24 5 2 2 3 6 5 5 2 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 2 1 3 6 2 3 5 5 7 4 5 3 2 2 4 31 35 24 16 29 61 9 4 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 70 70 ddd 1H J 10 25 81 \| 70 69 m 1H \| 68 68 d 1H J 82 \| 43 43 q 2H J 71 \| 37 36 m 4H \| 33 33 m 4H \| 23 23 s 3H \| 14 13 s 8H \| 13 12 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C[C@@H](CNCCCCNS(=O)(=O)c1ccc(Cl)cc1Cl)NC(=O)OC(C)(C)C	ir: 7 4 7 4 6 7 15 6 6 7 3 4 2 2 4 5 2 2 2 8 9 2 4 6 4 5 14 25 16 11 7 8 7 3 4 5 4 6 10 14 7 4 12 27 11 8 8 4 7 10 7 2 5 10 15 15 14 7 4 3 9 8 5 0 25 68 23 13 16 19 13 12 8 5 5 5 3 2 12 2 3 2 21 12 5 6 24 13 4 3 3 16 5 8 4 1 5 7 12 6 3 5 8 8 9 24 36 13 19 8 13 10 9 14 13 8 9 10 10 13 4 5 8 3 4 5 4 10 9 8 7 13 7 5 4 4 5 11 12 5 3 4 3 6 23 34 12 2 11 15 13 5 4 4 2 1 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 3 4 2 2 2 1 1 2 4 7 4 13 5 6 45 9 7 6 2 2 2 2 1 2 2 2 1 2 4 3 2 5 7 30 100 31 63 14 19 18 7 3 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 d 1H J 95 \| 78 77 d 1H J 20 \| 75 74 dd 1H J 21 94 \| 64 63 t 1H J 67 \| 50 50 d 1H J 73 \| 40 39 ddq 1H J 37 71 105 \| 30 29 dt 2H J 57 66 \| 29 28 ddd 1H J 37 64 130 \| 28 26 m 5H \| 17 16 m 1H \| 16 14 m 5H \| 14 14 s 8H \| 13 12 ddd 1H J 68 78 144 \| 9 9 dd 6H J 67 143	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N=C(N)c1c(N)cccc1OCC1(C(=O)NC2CCCC2)CCCNC1=O	ir: 4 6 1 8 2 3 3 2 3 1 4 4 5 2 2 4 4 3 3 3 6 5 2 3 6 3 6 4 3 3 3 18 10 13 6 2 2 3 4 11 4 26 7 4 6 5 4 6 20 5 4 7 12 14 14 4 3 5 2 1 2 1 3 3 4 0 2 2 1 1 6 7 2 4 32 5 2 9 3 3 3 2 4 7 4 5 5 2 4 1 1 1 1 0 3 1 1 1 1 1 1 0 1 1 0 1 1 2 4 5 4 2 2 4 3 2 1 3 2 1 2 2 3 2 2 2 2 2 1 2 6 14 5 5 6 1 2 3 2 3 4 12 51 22 26 12 19 22 17 27 10 4 27 46 10 1 2 5 3 12 8 3 1 0 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 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 1 0 0 1 1 1 1 2 1 1 2 2 1 1 1 2 6 3 4 8 4 2 1 1 1 0 1 1 1 1 1 1 1 3 6 16 40 12 13 9 2 16 18 28 12 14 7 4 23 67 100 6 2 1 1 1 0 0 1 1 1 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 s 1H \| 72 71 t 1H J 82 \| 70 70 t 1H J 41 \| 65 64 m 3H \| 54 54 s 2H \| 48 48 s 2H \| 47 46 d 1H J 132 \| 44 43 d 1H J 132 \| 41 40 dp 1H J 33 67 \| 34 32 m 2H \| 24 23 ddd 1H J 51 79 152 \| 20 18 m 4H \| 18 15 m 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Brc1cccnc1OC1CCN(c2ccc3ccccc3n2)CC1	ir: 3 4 7 6 1 5 12 9 2 3 3 2 2 6 5 2 2 1 2 0 1 4 2 2 4 2 6 10 1 3 4 6 2 6 10 50 89 45 46 16 16 10 11 7 7 10 12 48 56 28 10 15 31 100 21 11 6 8 3 1 10 14 20 24 2 2 5 8 6 6 5 1 5 5 15 13 5 2 2 2 5 17 38 11 13 10 23 11 17 12 7 4 2 1 3 5 9 6 2 3 6 6 9 9 11 10 24 12 13 17 11 5 3 4 3 1 3 2 5 2 4 9 8 7 5 7 6 11 29 40 27 12 14 6 18 21 26 9 5 28 11 3 4 26 44 26 23 29 41 81 17 11 9 19 12 23 51 54 21 4 3 1 1 2 2 6 11 2 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 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 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 2 4 5 3 2 2 3 2 3 3 6 9 21 30 92 50 56 30 17 4 4 3 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 82 81 dd 1H J 22 42 \| 81 81 d 1H J 75 \| 78 78 m 2H \| 78 77 m 1H \| 76 75 td 1H J 12 79 \| 74 74 m 1H \| 71 70 dd 1H J 43 80 \| 70 70 d 1H J 75 \| 49 48 p 1H J 48 \| 38 37 ddd 2H J 62 88 139 \| 36 35 ddd 2H J 61 88 139 \| 24 23 m 2H \| 22 21 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)c(CN2CCOc3ccc(OCC(F)(F)F)c(Cl)c3C2=O)c(=O)[nH]1	ir: 2 4 9 4 1 5 7 5 1 9 11 13 5 8 13 5 4 9 12 8 1 5 8 9 9 17 6 3 2 6 5 3 4 7 8 4 23 32 8 8 2 8 10 3 10 17 16 10 7 26 45 10 5 12 20 8 7 11 8 0 10 15 5 1 14 7 6 3 15 11 6 2 7 7 8 14 17 7 3 1 5 6 2 2 5 6 4 8 10 11 5 4 8 7 4 5 15 100 3 4 12 13 4 6 12 12 5 4 7 5 1 6 9 4 2 5 11 24 14 8 14 9 4 6 6 6 4 13 12 6 2 6 8 17 2 6 8 6 8 7 11 5 3 6 23 20 5 7 8 21 10 12 7 4 20 10 5 4 24 34 64 47 5 8 4 0 3 7 4 0 4 7 4 0 4 7 3 0 4 6 3 1 4 6 3 1 4 6 3 1 5 5 2 2 5 5 2 2 5 5 2 2 5 5 2 2 5 5 1 2 6 4 1 3 6 4 1 3 6 4 1 3 6 4 1 3 7 3 0 3 6 3 1 4 6 3 1 4 6 3 1 4 6 3 1 4 5 3 2 4 5 2 2 5 5 2 2 5 5 2 2 5 5 2 2 5 5 2 3 6 5 3 4 6 5 5 4 7 5 2 5 8 8 21 17 13 17 16 26 17 7 3 5 7 3 1 4 6 3 1 5 6 4 2 5 6 3 4 6 15 10 25 32 15 12 6 7 5 2 2 5 5 2 3 6 5 2 3 5 4 1 3 6 4 1 3 6 4 1 3 6 3 1 3 6 3 1 4 6 3 1 4 5 3 1 4 5 3 2 4 5 3 2 4 5 2 2 4 5 2 2 5 5 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 1 3 5 3 1 3 6; 1HNMR: 99 99 s 1H \| 70 69 d 1H J 92 \| 69 68 d 1H J 92 \| 60 60 p 1H J 13 \| 48 47 d 1H J 130 \| 47 47 d 1H J 130 \| 45 45 s 2H \| 43 43 t 2H J 64 \| 38 37 t 2H J 64 \| 24 23 d 3H J 13 \| 22 21 d 3H J 9	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(N)cc(O)c(Cl)c1OC	ir: 8 4 4 10 18 6 3 3 2 2 2 2 3 3 3 2 2 2 2 2 2 2 1 2 2 2 1 2 1 1 1 2 2 1 1 2 2 1 1 1 2 2 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 2 3 2 1 1 1 2 1 9 11 9 5 2 2 1 2 2 4 3 7 1 1 2 2 6 13 2 2 2 1 2 5 2 2 1 1 1 1 1 1 1 1 1 1 6 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 3 4 5 2 1 1 2 1 2 2 2 2 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 3 1 2 2 4 8 2 1 2 29 4 2 1 2 2 23 6 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 2 2 1 2 2 1 1 2 2 1 2 4 1 1 2 2 1 0 21 100 2 2 1 1 1 1 2 2 1 61 16 1 2 2 1 1 2 2 1 1 2 8 33 3 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 91 91 s 1H \| 58 58 s 1H \| 39 39 s 3H \| 39 39 s 3H \| 35 34 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCOC(C(Cc1ccc(Cl)cc1)n1cncn1)C1(C)COCOC1	ir: 4 1 3 8 4 3 11 8 2 2 8 9 4 2 2 2 1 1 2 11 10 2 1 1 1 1 1 1 9 2 1 2 7 3 2 1 3 11 29 25 4 3 2 4 6 6 5 8 27 27 17 24 9 9 11 44 33 15 3 4 5 8 4 3 12 23 29 19 12 8 3 6 10 24 43 16 8 22 23 25 10 1 2 2 2 3 4 3 2 3 5 8 5 19 34 26 29 8 13 17 14 7 9 3 2 4 3 9 9 5 8 27 26 12 9 7 11 12 24 13 12 10 17 17 17 14 7 5 3 6 7 12 11 6 5 4 2 3 2 2 1 1 1 2 2 4 16 22 4 3 2 6 10 0 0 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 1 2 1 1 1 2 3 2 2 5 7 5 5 9 10 18 17 12 8 5 7 11 22 100 65 30 42 40 31 36 77 14 6 2 3 4 1 1 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 81 dd 1H J 7 16 \| 79 78 d 1H J 16 \| 73 72 m 2H \| 72 71 dq 2H J 10 79 \| 47 47 s 2H \| 43 42 dtd 1H J 7 63 69 \| 41 40 dq 1H J 15 71 \| 38 37 d 2H J 112 \| 36 35 m 3H \| 35 34 dt 1H J 48 110 \| 32 32 ddt 1H J 8 61 147 \| 30 29 ddt 1H J 9 62 146 \| 16 15 m 2H \| 10 10 d 3H J 15 \| 9 9 t 3H J 77	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1nn(-c2ccccn2)c(=O)[nH]1	ir: 1 1 1 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 7 16 7 4 3 4 2 1 1 2 3 2 1 10 23 57 23 9 10 6 3 1 1 2 1 0 1 1 2 1 7 14 4 2 2 0 1 1 1 1 2 2 4 2 1 1 8 3 2 1 1 1 1 1 2 6 2 1 1 1 1 1 1 1 1 1 1 2 6 5 2 1 1 1 1 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 2 2 1 3 1 4 3 5 1 1 2 4 3 4 7 11 9 8 13 18 4 2 1 2 1 2 3 13 29 4 2 1 2 4 1 2 10 4 5 100 54 3 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 1 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 7 4 3 4 9 22 11 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 7 17 20 13 5 5 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 1 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 84 dd 1H J 17 45 \| 80 80 s 1H \| 78 77 dd 1H J 14 65 \| 77 76 ddd 1H J 17 65 73 \| 74 73 ddd 1H J 14 45 73 \| 24 23 t 2H J 61 \| 17 16 dtd 2H J 61 71 132 \| 10 9 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cccc2c(Oc3cccc(C(F)(F)F)c3)ncnc12	ir: 3 2 2 3 8 11 15 6 2 3 2 8 16 9 6 6 3 2 2 2 4 3 3 4 4 3 1 3 3 5 12 8 9 8 11 8 11 2 2 3 3 4 3 7 32 75 20 13 12 3 4 2 3 3 3 3 2 2 2 1 2 2 7 2 3 3 9 6 8 3 2 2 2 4 3 2 2 2 3 4 7 8 4 2 3 6 2 1 1 1 1 4 2 2 7 2 4 6 10 22 3 1 2 2 2 2 5 2 2 2 2 7 13 14 5 10 4 2 2 2 1 2 2 2 1 1 2 9 5 6 2 2 1 3 11 24 6 2 2 2 3 4 6 14 3 7 4 2 3 13 9 3 5 25 100 36 8 2 2 2 2 6 1 7 10 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 2 3 6 18 22 10 4 2 2 2 1 2 1 1 1 1 1 1 2 1 2 3 11 2 1 1 2 2 1 1 2 2 0 8 55 18 4 2 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 84 s 1H \| 80 79 dd 1H J 13 99 \| 75 74 m 3H \| 73 73 t 1H J 21 \| 72 72 ddd 1H J 13 22 73 \| 72 71 dd 1H J 12 87 \| 51 51 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(-c2ccn(C[C@H](C)NC(=O)c3cc(C(C)O)n[nH]3)n2)ccc(C#N)c1Cl	ir: 4 4 7 3 4 4 5 4 3 4 4 3 2 8 3 3 3 4 8 7 4 5 3 2 2 3 2 2 5 3 6 4 8 5 3 1 2 4 6 13 41 43 100 9 8 6 5 6 6 7 19 0 2 5 3 5 7 4 12 1 3 3 3 2 1 3 2 1 5 3 2 2 3 3 5 8 5 3 2 1 4 4 2 3 4 6 9 10 21 12 10 5 11 21 6 6 5 3 2 3 2 6 8 5 5 6 6 5 6 4 1 6 22 12 16 3 2 3 1 3 4 3 5 3 4 5 4 14 14 4 4 6 5 1 2 2 4 12 6 3 7 9 8 22 66 22 5 21 33 4 5 8 7 5 4 3 2 2 2 2 8 2 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 18 2 1 1 1 2 1 1 2 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 1 2 1 1 2 2 2 2 2 2 1 2 2 3 2 2 2 2 2 2 3 2 4 2 3 6 4 16 11 7 17 7 11 16 5 12 6 8 56 6 4 2 1 2 3 2 2 2 4 6 3 7 7 11 28 12 14 38 12 8 2 3 3 2 2 2 1 2 2 1 2 2 1 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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 2 1 1 1 2 1 1 1 2; 1HNMR: 100 100 s 1H \| 78 77 d 1H J 82 \| 76 76 d 1H J 71 \| 76 76 d 1H J 71 \| 74 74 dt 1H J 8 37 \| 71 71 d 1H J 7 \| 66 66 d 1H J 38 \| 56 56 dtd 1H J 45 57 66 \| 46 45 d 1H J 49 \| 42 41 ddd 1H J 7 37 125 \| 41 40 m 1H \| 39 39 ddd 1H J 9 39 126 \| 24 24 s 2H \| 18 17 d 3H J 62 \| 13 13 d 3H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1(c2ccc(Br)s2)CCOCC1	ir: 8 2 2 2 6 2 1 1 1 1 1 1 1 1 2 1 0 1 1 1 2 2 6 38 4 1 0 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 4 1 1 1 1 1 1 1 2 1 13 2 1 5 3 5 14 49 4 4 19 3 3 5 0 1 2 2 2 3 58 4 7 2 1 1 1 1 1 1 1 20 1 2 1 1 1 2 3 1 1 3 2 6 9 2 4 1 1 2 2 1 2 1 3 11 2 2 2 1 4 16 7 8 11 6 3 2 1 2 2 18 16 3 2 3 18 6 9 12 1 3 2 2 1 1 1 1 1 1 1 1 1 2 25 4 2 1 1 1 10 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 3 3 8 4 2 1 4 4 11 13 2 3 6 6 100 12 5 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 69 69 d 1H J 70 \| 67 67 d 1H J 70 \| 39 38 ddd 2H J 32 59 115 \| 38 37 ddd 2H J 32 59 114 \| 32 32 s 2H \| 23 22 ddd 2H J 31 59 143 \| 21 21 ddd 2H J 31 59 143	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2[nH]c(C(F)(F)F)c(C#N)c2c1	ir: 5 4 5 10 3 4 7 5 4 5 6 4 11 25 5 4 3 5 5 4 3 5 5 4 3 4 4 4 4 13 5 3 4 11 6 4 6 4 4 4 4 4 4 3 3 4 4 3 4 4 4 4 6 61 48 5 4 5 4 4 4 4 4 5 4 4 5 15 9 6 4 3 5 6 7 4 5 5 4 3 4 4 3 3 6 19 4 4 5 4 3 3 5 4 3 10 9 5 0 100 50 4 5 4 4 5 13 5 8 5 4 4 4 6 9 9 14 8 5 6 4 5 4 10 5 4 4 5 4 4 12 4 4 3 3 4 4 3 3 4 4 3 3 5 4 20 7 4 4 4 4 4 5 10 5 23 7 5 4 4 4 4 4 5 4 4 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 3 8 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 6 8 4 21 15 5 5 4 4 4 4 3 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 5 25 21 11 18 9 5 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4; 1HNMR: 88 87 q 1H J 14 \| 75 75 d 1H J 73 \| 72 72 d 1H J 27 \| 70 70 dd 1H J 27 71 \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CSc1nc(SC)nc(Cl)c1C=O	ir: 6 2 0 1 2 2 3 3 2 1 0 1 1 0 0 1 1 2 1 3 1 1 4 1 1 1 0 1 1 0 1 1 1 1 1 2 8 8 42 18 14 2 2 2 1 1 1 2 1 3 3 3 2 6 4 6 6 6 4 3 5 1 2 4 1 0 1 1 1 0 1 2 3 1 5 3 1 0 1 1 0 0 1 1 0 1 3 1 0 0 1 1 0 0 1 1 0 1 2 2 0 1 1 1 0 0 3 5 6 2 1 6 9 9 4 8 10 13 6 3 32 9 0 1 2 1 1 1 9 1 1 1 0 1 1 0 0 2 4 9 44 3 3 6 20 21 23 3 1 1 1 1 1 1 1 2 40 100 4 0 1 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 3 3 4 3 4 2 3 1 1 1 7 30 9 1 2 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 100 99 s 1H \| 42 41 q 2H J 66 \| 39 38 s 2H \| 26 25 s 3H \| 13 12 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@]1(c2cc(Br)ccc2F)COC(=O)N1	ir: 10 5 0 5 16 12 2 7 14 13 1 8 16 11 2 23 96 78 9 42 52 9 7 12 8 4 2 10 10 4 3 7 7 2 4 8 18 14 4 7 5 1 3 8 6 0 4 8 6 0 6 10 7 24 26 14 6 1 6 9 5 3 12 25 12 4 15 19 13 2 10 9 5 4 6 8 5 2 6 7 3 4 7 7 3 6 9 9 10 10 7 7 2 3 7 6 3 10 9 5 1 4 8 5 1 5 8 5 0 4 8 5 0 5 11 10 43 35 12 11 8 20 20 5 4 6 8 6 11 10 7 13 12 7 8 5 2 5 7 4 3 26 39 3 3 7 7 3 46 10 7 6 24 18 29 84 28 8 5 3 6 8 5 1 4 7 5 1 4 7 4 1 4 8 4 1 4 7 4 1 4 7 3 1 5 7 3 1 5 6 3 2 5 6 2 2 5 6 2 2 6 5 2 2 6 5 2 3 6 5 1 3 6 5 1 3 7 4 1 3 7 4 1 3 7 4 1 4 7 4 1 4 7 4 1 4 7 3 1 4 6 3 1 5 6 3 2 5 6 3 2 6 6 3 2 5 6 3 2 6 5 2 3 6 5 2 3 6 5 2 4 7 4 2 4 7 5 3 5 7 6 4 6 15 23 24 17 31 38 9 10 8 5 4 5 7 4 2 5 7 3 2 5 7 4 3 5 9 5 6 10 100 93 8 11 13 8 4 6 5 2 4 6 5 2 3 7 5 2 3 6 5 1 3 6 4 1 4 7 4 1 4 7 4 1 4 7 4 1 4 6 3 1 4 6 3 2 5 6 3 2 5 6 3 2 5 5 3 2 5 5 2 3 5 5 2 3 6 5 2 3 6 5 2 3 6 4 2 3 6 4 2 3 6 4 1 4 6 4 1; 1HNMR: 81 81 s 1H \| 76 75 ddd 1H J 22 36 66 \| 75 75 dd 1H J 22 29 \| 71 70 dd 1H J 67 102 \| 47 47 d 1H J 115 \| 45 45 d 1H J 115 \| 17 17 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCC(=O)c1ccc2c(c1)CCC(C(=O)OCc1ccccc1)C2	ir: 20 5 3 4 7 4 6 3 0 2 2 1 1 2 1 2 2 1 1 2 4 2 1 2 7 0 1 2 4 5 12 26 4 6 5 11 12 34 7 5 16 5 4 3 2 3 1 2 2 2 1 2 9 5 4 8 8 5 2 3 2 1 2 3 2 10 6 7 8 7 2 4 5 3 1 2 1 3 3 1 1 1 1 0 1 1 1 2 17 7 11 2 3 8 16 7 6 17 3 3 3 2 1 3 16 8 11 9 16 6 5 5 15 13 4 26 2 6 6 15 8 6 7 12 6 15 4 8 6 4 1 1 3 3 8 20 19 2 1 2 3 4 18 39 39 16 5 5 1 2 2 6 3 2 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 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 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 1 0 1 0 1 0 1 0 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 2 2 10 11 10 4 3 5 2 3 6 15 17 34 16 32 100 47 25 3 2 2 2 1 1 1 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 77 76 m 2H \| 74 73 d 4H J 41 \| 73 73 m 1H \| 72 71 dd 1H J 12 89 \| 52 51 m 2H \| 31 31 ddd 1H J 7 73 148 \| 30 29 m 1H \| 30 29 t 2H J 83 \| 29 28 m 2H \| 28 27 p 1H J 71 \| 22 21 dddd 1H J 59 68 84 127 \| 19 18 m 1H \| 17 16 tt 2H J 73 82 \| 15 14 dq 2H J 69 83 \| 14 13 m 3H \| 13 13 m 3H \| 13 12 m 4H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2c(NCC(O)(CC(C)(C)c3ccccc3)C(F)(F)F)cccc2n1	ir: 2 2 1 4 1 3 1 2 3 9 15 12 3 3 4 1 1 3 1 0 7 2 1 1 1 1 1 1 1 1 1 2 4 1 1 4 1 1 1 1 2 4 3 2 1 1 1 1 2 3 21 5 2 1 1 1 3 1 1 1 1 4 2 2 1 1 2 1 3 6 2 2 1 1 1 1 1 1 4 1 5 2 4 7 2 2 1 5 2 2 10 1 2 3 4 2 2 2 2 3 2 1 1 4 4 3 2 1 1 1 1 1 1 2 6 7 2 5 2 1 2 1 1 1 2 4 4 2 1 1 1 1 1 1 1 3 5 1 1 2 1 2 9 3 2 3 1 1 1 3 2 1 1 2 2 1 17 0 1 2 33 2 1 0 1 6 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 0 1 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 2 1 1 1 2 4 3 4 6 5 21 10 7 4 1 1 2 2 100 4 2 1 1 1 1 1 1 1 1 1 1 1 3 3 6 14 18 14 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 0 0 1 1 0 1 0 0 0 0 0 0 0 1 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; 1HNMR: 81 81 d 1H J 79 \| 78 77 dd 1H J 12 73 \| 77 76 dd 1H J 73 82 \| 73 73 m 4H \| 73 72 m 3H \| 71 71 dq 1H J 9 80 \| 69 68 dd 1H J 15 83 \| 44 43 q 1H J 33 \| 40 39 ddq 1H J 25 75 138 \| 38 37 ddq 1H J 26 76 137 \| 27 27 d 3H J 7 \| 21 21 dq 1H J 25 145 \| 19 18 dq 1H J 25 143 \| 14 14 s 2H \| 13 13 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cn([C@@H]2C[C@@H]2F)c2cc(F)ccc2c1=O	ir: 2 3 0 1 3 3 0 1 2 2 0 1 3 3 2 5 2 3 3 1 1 0 0 1 1 0 2 3 2 1 1 2 4 1 2 5 10 2 2 3 6 1 1 2 3 6 5 100 56 5 3 2 2 2 1 1 3 1 1 4 1 0 1 6 3 9 11 7 6 1 2 2 2 1 2 4 1 0 2 2 4 4 2 1 0 2 2 1 1 3 3 5 1 4 1 1 1 1 3 4 1 2 4 6 3 2 2 1 0 1 2 1 0 2 2 2 0 1 2 1 0 2 3 10 3 5 17 1 8 3 4 12 6 1 2 1 1 1 5 13 2 1 2 0 1 3 5 2 4 26 9 2 3 13 24 13 3 4 4 2 2 6 11 27 5 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 0 1 1 1 0 1 1 1 3 2 4 3 6 7 42 11 10 6 5 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 87 87 d 1H J 18 \| 81 81 dd 1H J 49 87 \| 72 71 ddd 1H J 22 88 101 \| 65 64 dd 1H J 21 121 \| 46 46 td 1H J 43 54 \| 45 44 td 1H J 44 55 \| 43 42 q 2H J 71 \| 40 39 m 1H \| 22 21 dddd 1H J 44 68 82 104 \| 21 20 dtd 1H J 53 81 215 \| 13 12 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CN2CCC(=O)C(C(c3ccccc3)c3ccccc3)C2)c(OC)n1	ir: 1 7 3 1 3 3 2 3 3 3 9 3 4 8 6 5 4 6 6 2 7 3 4 4 9 7 4 4 2 6 9 13 14 17 19 5 5 13 24 51 36 14 13 15 19 18 3 5 10 5 5 14 52 36 7 15 3 9 4 2 1 3 1 21 6 3 4 8 9 14 3 11 7 12 6 4 4 6 4 4 10 8 3 1 4 5 6 9 26 14 11 9 6 4 1 4 5 13 8 3 5 3 3 4 12 2 1 2 4 2 11 2 1 3 3 2 2 3 2 4 3 4 3 4 6 19 48 4 3 4 7 8 7 3 6 21 18 16 69 39 12 10 23 48 38 24 22 21 5 3 30 21 13 5 1 2 4 1 33 5 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 1 3 1 2 3 3 3 3 9 14 24 20 100 39 30 11 2 3 4 2 0 2 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 dt 1H J 9 88 \| 73 72 m 10H \| 67 66 d 1H J 88 \| 44 44 dd 1H J 11 92 \| 40 39 d 6H J 97 \| 39 38 dd 1H J 9 154 \| 38 37 dd 1H J 9 154 \| 32 32 dt 1H J 49 94 \| 30 29 m 3H \| 28 27 m 2H \| 27 26 ddd 1H J 37 59 141	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COP(=O)(CCCC(=O)O)OC	ir: 7 16 8 12 4 4 7 4 5 4 5 9 16 21 10 8 7 6 12 8 71 38 23 36 14 9 5 4 3 3 2 3 3 3 5 7 3 5 8 8 6 7 9 19 9 12 9 13 13 10 13 2 3 4 3 1 2 4 3 1 2 4 3 1 6 10 0 60 8 100 61 11 5 26 19 5 9 35 26 40 27 34 50 13 4 1 4 5 2 2 3 5 3 8 6 6 5 3 5 6 4 4 4 4 3 3 8 7 4 37 60 19 7 4 5 3 6 9 10 14 20 10 4 5 3 3 3 2 2 2 2 3 3 2 4 6 8 3 4 4 5 11 14 27 24 17 7 2 2 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 3 3 6 6 14 11 4 4 3 3 2 5 7 16 18 9 8 3 2 2 2 2 2 4 8 16 86 24 9 4 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 37 37 d 6H J 108 \| 25 24 t 2H J 97 \| 22 21 dtd 2H J 9 94 117 \| 20 19 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)c(F)c1C(=O)O	ir: 1 1 1 1 2 5 10 4 4 6 6 4 3 6 2 2 7 11 3 10 15 9 16 8 5 7 2 3 2 5 4 6 2 6 5 3 1 1 1 1 1 4 1 1 1 2 2 1 1 1 1 1 1 1 4 5 4 1 2 1 1 2 2 1 5 15 2 1 3 2 1 1 1 13 2 2 7 26 48 10 9 5 2 11 8 100 19 21 4 24 6 2 2 1 2 1 2 5 13 8 4 3 1 1 1 1 1 1 1 1 1 9 3 1 2 1 0 1 1 1 1 1 1 1 1 2 1 3 2 1 1 1 1 1 1 1 0 1 2 2 7 1 1 1 1 2 4 4 24 1 2 2 4 8 1 1 1 0 1 1 11 1 1 1 1 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 2 2 10 3 2 8 5 3 1 1 1 1 1 0 10 51 4 2 1 0 1 1 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 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 1 0 0 0 1 0 0 0 1; 1HNMR: 79 79 dd 1H J 48 90 \| 69 69 d 1H J 90 \| 37 36 m 4H \| 34 34 q 4H J 70 \| 32 31 m 4H \| 12 11 t 6H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)/C=C/C(=O)OC(C)Cl	ir: 1 2 2 1 1 1 1 1 2 5 3 22 3 23 5 5 2 2 2 2 6 9 4 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 4 17 5 6 4 2 3 1 3 2 2 5 7 3 3 3 59 21 89 20 14 4 2 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 3 12 3 1 1 13 27 23 4 4 3 4 3 2 4 3 2 1 4 21 31 8 7 4 3 2 1 0 1 1 1 1 1 2 0 0 2 2 2 27 63 8 100 2 0 1 1 1 0 0 1 1 1 1 1 1 0 0 1 2 1 1 1 1 1 1 1 1 0 1 1 0 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 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 2 1 3 1 1 2 2 1 3 2 2 4 3 4 5 0 24 11 22 6 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 68 67 d 1H J 167 \| 67 66 d 1H J 167 \| 66 66 q 1H J 49 \| 38 37 s 3H \| 19 18 d 3H J 49	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1cnn2cc(Cl)nc(OCc3ccccc3)c12	ir: 10 8 8 8 8 11 6 7 7 9 10 7 24 21 5 7 5 8 12 3 3 2 3 11 4 3 10 3 3 3 13 8 15 11 5 5 3 3 4 6 23 6 3 2 2 3 2 2 2 2 2 2 2 3 3 3 2 3 5 8 3 2 3 3 4 9 6 3 4 5 2 3 3 3 3 5 12 7 4 3 3 2 3 5 6 5 5 15 36 39 10 4 11 17 8 11 6 10 2 2 2 2 2 4 5 3 2 2 2 2 3 23 6 2 1 2 2 2 2 6 5 3 4 5 18 9 3 3 3 2 1 34 56 2 6 10 2 2 2 2 2 3 21 27 9 5 3 2 3 3 4 5 4 2 3 4 2 0 2 100 15 4 2 0 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 2 2 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 1 1 1 2 2 1 2 2 2 2 2 2 1 2 1 2 2 2 2 2 2 1 1 2 2 2 3 4 2 2 2 2 2 2 3 7 4 10 53 18 14 8 6 5 4 11 18 8 2 2 3 2 2 2 2 2 1 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 83 s 1H \| 79 79 t 1H J 9 \| 74 73 m 4H \| 73 73 m 1H \| 54 53 t 2H J 9 \| 50 50 dd 2H J 9 59 \| 37 37 t 1H J 59	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC(=O)NCC(CC)CCCC	ir: 0 2 3 2 1 2 3 1 0 1 3 2 1 2 3 1 0 2 3 1 1 3 10 18 28 8 7 5 3 3 2 9 7 3 2 1 1 2 2 1 2 4 4 4 4 4 63 19 6 8 8 7 5 7 2 0 2 4 2 0 2 3 2 1 2 3 1 0 2 3 3 2 11 5 3 1 3 3 2 1 2 2 1 1 2 3 4 7 5 4 2 3 3 2 1 2 4 3 1 1 3 2 1 2 3 3 2 5 6 4 5 4 4 4 1 2 4 5 10 10 6 8 2 5 4 6 1 3 3 2 1 2 3 1 1 3 6 8 2 3 3 1 3 10 17 15 52 100 2 7 4 2 2 2 2 2 2 4 8 3 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 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 3 1 1 3 4 2 3 3 4 4 8 7 6 9 19 5 7 6 3 5 2 1 10 7 3 1 2 2 1 1 2 2 2 2 3 3 2 2 4 18 31 24 30 32 5 6 7 4 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 63 62 m 1H \| 61 60 t 1H J 68 \| 60 59 dd 1H J 31 163 \| 58 58 dd 1H J 31 110 \| 33 32 ddd 1H J 58 68 125 \| 31 30 ddd 1H J 58 67 126 \| 17 16 tddd 1H J 15 43 59 73 \| 15 11 m 9H \| 9 8 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1cc(NC2CCC3(CC2)OCCO3)[nH]n1	ir: 9 11 13 36 18 3 5 5 9 24 4 26 11 11 11 7 8 5 4 5 6 2 1 3 3 2 1 3 3 1 2 3 3 2 1 3 3 1 10 5 3 1 2 7 3 1 6 75 52 4 4 7 5 11 3 6 4 6 3 4 3 3 8 9 3 1 8 4 3 2 5 4 2 4 4 4 2 3 3 10 9 1 4 3 4 5 30 30 8 4 5 5 3 1 4 4 0 2 4 3 0 2 4 5 4 23 45 11 12 20 7 5 2 7 11 7 1 5 7 3 3 15 13 8 5 6 12 5 5 4 5 3 6 6 5 1 1 3 5 2 4 6 5 1 1 9 28 9 4 4 2 1 1 4 3 1 2 3 4 6 85 100 9 6 3 6 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 4 3 2 4 9 5 1 3 5 3 2 4 8 19 2 3 5 16 6 6 7 4 1 3 4 2 1 3 4 2 1 3 4 2 1 3 5 5 9 28 27 60 71 22 9 7 5 6 3 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 88 88 s 1H \| 82 81 d 1H J 27 \| 63 62 d 1H J 82 \| 59 59 d 1H J 27 \| 39 39 s 3H \| 39 38 m 1H \| 20 19 m 2H \| 18 17 m 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cnn(Cc2ccc(Cn3c(C)cc(C(=O)O)c3C)cc2)c1	ir: 2 5 4 6 10 10 5 7 11 15 14 8 4 5 9 24 19 7 4 3 6 28 68 72 35 9 3 10 6 9 16 17 11 10 4 10 5 5 4 5 5 6 4 5 4 5 3 5 8 14 10 11 5 5 5 5 11 12 8 5 6 9 8 4 3 5 11 10 5 15 6 4 7 5 7 19 30 98 31 4 4 5 2 4 3 4 2 3 6 11 24 15 3 7 11 17 9 12 25 3 6 4 2 3 11 11 2 3 5 3 2 3 4 4 3 12 27 17 5 5 9 9 6 5 17 19 15 17 24 7 2 3 4 4 7 7 4 4 17 20 6 10 19 6 4 3 3 6 9 8 10 9 6 3 34 4 4 12 17 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 3 1 2 3 2 1 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 4 2 2 2 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 4 3 3 4 6 2 4 4 3 4 4 4 6 16 13 9 14 56 19 39 21 5 15 10 3 0 45 100 20 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 1 2 3; 1HNMR: 74 74 d 1H J 9 \| 73 72 m 3H \| 72 71 dt 2H J 9 66 \| 56 56 s 1H \| 54 53 q 2H J 9 \| 52 52 t 2H J 9 \| 24 23 d 6H J 35 \| 22 22 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=S)NNC(=O)C1CCN(C(=O)OCc2ccccc2)CC1	ir: 14 6 1 6 11 13 4 10 7 5 1 5 7 5 1 5 6 3 1 5 7 3 4 6 9 3 6 10 9 5 33 75 35 12 11 18 12 19 12 10 42 9 10 5 6 2 3 5 4 1 3 7 4 2 3 7 3 0 4 7 3 1 7 6 4 1 4 15 4 1 4 6 3 2 4 5 2 3 5 6 2 1 4 5 2 2 6 5 3 3 6 5 2 2 5 4 3 3 7 6 2 3 10 7 2 4 7 4 1 3 6 7 2 10 7 4 4 10 9 7 2 9 15 5 2 6 6 5 1 5 6 4 2 4 9 4 6 18 17 14 10 8 14 32 100 15 31 4 4 5 31 8 6 6 9 3 4 5 4 1 3 5 4 1 3 6 3 0 3 6 3 0 3 6 3 0 3 5 3 1 3 5 2 1 4 5 2 1 4 5 2 1 4 5 2 1 4 4 2 2 4 4 1 2 4 4 1 2 5 4 1 2 5 4 1 2 5 3 1 3 5 3 1 3 5 3 0 3 6 3 1 3 5 3 1 3 5 3 1 4 5 2 2 4 5 2 1 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 1 2 5 4 2 5 6 4 1 4 6 4 2 6 16 8 9 9 21 20 6 4 5 3 2 4 5 3 2 4 5 3 2 4 5 2 2 5 6 4 32 59 32 49 14 13 6 3 3 5 4 2 2 4 4 2 2 4 4 2 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 3 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 1 3 4 3 1 3 5 3 1 3 5 3 1; 1HNMR: 91 91 d 1H J 59 \| 74 73 m 5H \| 67 67 q 1H J 42 \| 52 51 s 2H \| 38 37 ddd 2H J 60 88 124 \| 35 34 ddd 2H J 60 88 124 \| 30 30 d 3H J 42 \| 26 25 p 1H J 53 \| 20 19 m 2H \| 17 16 dddd 2H J 51 60 88 134	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2c(C#N)c(CC(C)C)nc3ccc(Br)cc23)cc1	ir: 5 7 6 3 3 4 3 4 3 6 4 9 3 3 5 10 4 8 3 11 4 3 6 4 3 4 8 7 5 3 4 3 3 7 16 4 3 3 5 7 4 5 3 3 3 3 3 3 4 11 12 6 14 17 9 39 100 11 5 6 8 4 4 5 5 5 7 5 9 18 15 5 3 3 3 4 3 4 4 5 7 4 3 8 10 3 9 6 2 2 9 48 58 8 1 3 10 8 8 8 5 5 2 5 16 14 7 5 6 12 4 4 4 3 2 4 5 8 9 8 8 9 7 6 7 9 4 3 4 3 3 3 4 3 3 4 4 3 2 3 5 4 2 7 13 11 44 80 20 51 7 12 16 1 30 4 30 7 3 2 3 4 10 2 4 14 3 1 2 4 3 1 3 4 3 1 3 4 2 0 3 10 72 8 2 1 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 3 3 4 4 5 5 4 4 6 12 8 13 19 10 49 40 68 18 15 11 6 4 6 6 4 3 3 3 3 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 86 86 d 1H J 27 \| 80 80 d 1H J 82 \| 77 76 dd 1H J 26 82 \| 76 76 m 2H \| 74 73 m 2H \| 29 29 d 2H J 68 \| 24 24 d 3H J 9 \| 22 20 dp 1H J 71 143 \| 10 9 d 6H J 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(Br)c(=O)n(CC(N)=O)c1=O	ir: 6 25 20 33 12 48 10 33 33 36 26 26 33 49 37 13 9 17 12 8 15 25 24 17 9 10 10 8 8 21 16 9 9 8 23 8 6 8 7 5 4 8 6 3 8 12 18 10 7 8 7 7 10 12 8 2 6 9 7 3 15 12 16 7 6 8 4 5 9 12 7 7 8 10 5 3 8 10 28 87 14 7 3 2 6 6 2 3 6 7 3 2 8 7 14 39 18 9 5 6 7 5 2 4 11 12 3 5 7 6 4 6 9 7 3 5 10 8 5 15 21 20 68 54 30 21 6 12 8 9 8 5 9 9 12 26 9 5 8 13 20 13 15 29 15 15 12 8 4 21 90 100 32 38 21 86 85 44 13 35 32 3 5 8 4 0 4 7 3 0 4 7 3 0 4 6 4 1 4 6 3 1 4 6 3 1 4 6 3 2 4 5 2 2 5 5 2 2 5 5 2 2 5 4 2 2 5 4 2 2 5 4 1 3 6 4 1 3 6 4 1 3 6 4 1 3 6 4 1 3 6 3 1 4 6 3 1 4 5 3 1 4 5 3 2 4 5 3 2 4 5 3 2 5 5 3 2 5 5 3 3 5 5 2 3 6 5 2 4 11 9 3 5 7 10 11 21 25 19 15 20 52 30 30 42 25 17 8 13 15 7 4 5 7 4 1 4 6 4 1 5 8 10 9 22 25 50 14 7 6 3 2 4 5 3 5 15 34 34 11 7 6 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 1 3 5 3 1 4 5 3 2 4 5 3 2 4 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 5 4 2 3 5 4 2 3 5 3 2 3 5 3 2 3 5; 1HNMR: 81 81 q 1H J 11 \| 69 68 s 2H \| 45 45 s 2H \| 35 34 d 3H J 9	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F	ir: 4 7 9 6 6 4 8 4 3 4 5 5 4 4 6 9 13 7 12 3 2 2 2 16 3 6 2 1 9 3 1 3 4 3 2 2 3 2 2 2 2 2 2 2 6 3 5 2 3 3 3 4 4 10 3 2 2 3 3 1 4 4 6 2 4 5 3 3 8 13 5 6 4 2 6 8 8 21 14 9 32 20 8 7 7 12 37 78 70 73 24 31 3 6 12 5 4 6 7 6 3 10 15 10 4 3 5 7 2 9 6 12 0 14 7 6 5 4 0 8 12 5 0 4 9 7 9 5 4 2 4 7 5 3 4 4 2 4 3 9 12 28 8 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 20 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 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 1 2 2 1 2 2 2 2 2 4 5 3 5 10 8 3 7 9 11 17 28 17 24 2 6 6 7 6 6 10 19 55 100 6 5 6 3 3 3 3 1 1 3 3 3 2 2 4 2 1 3 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 58 58 s 1H \| 46 45 dd 1H J 53 137 \| 45 44 s 1H \| 43 42 m 1H \| 42 41 dd 1H J 53 137 \| 38 38 t 1H J 53 \| 28 28 dd 1H J 37 60 \| 27 25 m 2H \| 25 24 m 2H \| 22 21 m 3H \| 21 20 ddd 1H J 62 81 141 \| 20 18 m 6H \| 17 15 m 3H \| 12 12 d 3H J 33 \| 10 10 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(C(C)(C)C)nc2ccc(C#N)cc21	ir: 13 8 2 10 12 10 1 6 10 5 3 8 23 22 3 7 9 7 11 15 16 25 70 86 23 1 1 12 14 4 5 26 24 0 2 16 84 16 37 50 12 2 5 12 15 31 8 11 7 0 6 12 8 7 27 44 79 10 6 14 12 25 12 16 10 13 16 53 20 8 9 13 18 4 85 21 4 3 9 10 3 2 9 8 2 2 10 14 6 14 13 10 10 9 23 45 16 7 12 8 2 5 11 8 8 5 11 8 0 5 12 10 11 9 15 8 1 7 14 13 16 26 24 34 38 34 18 17 14 26 36 41 19 9 13 6 27 16 16 56 35 17 12 3 4 12 35 38 8 12 33 18 5 25 38 3 4 14 8 1 5 11 7 2 5 10 6 1 5 11 5 0 5 10 5 0 6 11 5 1 6 11 42 6 7 9 4 2 7 8 4 2 7 8 3 3 8 8 3 3 8 8 3 3 8 7 3 3 8 7 2 4 9 6 2 4 9 6 2 5 9 6 2 5 9 6 1 5 10 5 1 6 9 5 2 6 9 5 2 6 9 4 2 6 8 4 2 7 8 4 3 7 8 4 3 7 8 3 4 8 8 3 4 8 7 3 4 9 7 5 7 12 10 5 5 9 7 3 8 10 10 11 22 21 51 26 48 60 100 44 17 21 9 2 7 10 5 2 7 9 5 3 8 9 4 3 7 8 4 3 7 7 3 3 8 7 3 3 8 7 3 4 8 7 3 4 8 6 2 4 8 6 2 5 9 6 2 5 9 5 2 5 9 5 2 5 9 5 2 6 8 5 2 6 8 4 3 6 8 4 3 6 8 4 3 7 7 4 3 7 7 3 4 7 7 3 4 7 7 3 4 8 6 3 4 8 6 3 5 8 6 2 5 8 5 2 5 8 5 2; 1HNMR: 78 78 m 2H \| 77 77 dd 1H J 22 64 \| 38 38 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.
CCn1nc(-c2cccc(C3(N)CC3)c2)cc1Oc1ccc(C(F)(F)F)cc1	ir: 1 1 1 1 1 1 1 1 1 3 2 2 5 3 3 6 4 4 1 1 3 4 3 1 2 1 1 1 1 2 4 5 19 8 4 2 3 1 1 3 1 1 2 2 1 0 6 15 17 5 1 2 10 17 7 18 32 2 24 48 20 7 3 0 8 2 8 6 16 10 10 21 42 11 7 7 13 4 4 4 3 5 10 1 1 4 5 3 2 4 1 1 5 2 1 1 3 3 4 36 33 2 1 3 2 1 0 1 2 2 0 12 52 8 8 4 5 13 4 4 4 3 12 13 12 7 20 9 3 6 6 7 15 32 12 5 7 6 6 32 6 2 1 2 10 2 3 13 23 20 10 5 13 5 2 5 9 6 7 1 4 2 5 1 3 2 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 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 2 2 1 1 1 2 1 1 1 2 3 6 6 6 11 6 22 64 22 24 31 18 13 4 2 2 2 2 2 3 5 10 44 100 10 5 2 1 2 19 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 ddd 1H J 12 21 80 \| 77 76 dq 2H J 14 73 \| 75 75 t 1H J 22 \| 75 74 dd 1H J 75 82 \| 74 73 ddd 1H J 12 22 75 \| 71 70 m 2H \| 60 60 s 1H \| 40 39 q 2H J 52 \| 38 38 s 2H \| 17 16 m 2H \| 14 13 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1Nc2cccnc2N(C(=O)N2CCCC(CCCCN3CCCC3)C2)c2ccccc21	ir: 0 1 1 2 2 2 1 1 1 2 3 2 1 2 3 3 0 2 4 5 11 9 6 2 1 1 2 4 11 4 2 2 2 4 6 6 8 9 22 30 19 37 9 52 12 6 3 2 2 3 6 2 3 3 3 3 3 1 4 5 2 1 9 3 3 4 2 6 3 3 1 3 5 1 1 3 6 4 25 2 7 2 2 5 5 7 23 7 3 5 3 3 3 5 3 7 3 3 3 2 3 5 3 13 7 9 24 5 8 4 5 16 10 13 2 2 4 3 1 6 9 10 6 4 3 3 5 9 18 14 10 15 10 6 9 4 2 6 28 5 4 6 3 10 2 5 16 41 31 4 3 13 100 23 4 86 11 1 4 4 19 3 1 3 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 3 4 3 3 3 1 2 2 3 2 9 8 6 20 26 37 19 4 2 2 2 1 0 1 1 1 0 1 1 1 1 1 1 1 4 5 3 4 15 22 11 3 3 2 2 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 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 84 84 dd 1H J 20 44 \| 81 80 dt 2H J 17 84 \| 76 76 td 1H J 16 78 \| 76 75 dd 1H J 15 75 \| 74 73 m 2H \| 38 37 dd 1H J 52 114 \| 37 36 ddd 1H J 41 67 121 \| 35 34 m 2H \| 27 26 m 4H \| 25 24 t 2H J 59 \| 19 16 m 9H \| 15 11 m 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)CN1CCC2(CCNCC2)CC1	ir: 6 3 2 2 4 2 6 4 2 8 13 4 8 11 14 3 2 25 9 5 6 39 46 53 8 16 13 9 5 3 4 1 4 13 14 4 5 4 2 2 4 5 8 3 6 3 5 1 13 10 4 4 5 3 3 7 4 3 3 3 7 5 3 2 2 3 6 3 7 6 4 2 3 4 3 5 12 3 2 1 17 23 10 11 3 3 2 3 2 6 2 2 2 2 2 2 1 1 3 3 4 2 3 2 1 2 4 5 2 2 3 6 6 7 11 20 35 27 12 4 5 3 1 2 2 2 4 20 7 3 6 3 4 2 2 2 3 3 2 2 1 1 1 1 4 7 5 3 2 1 2 0 1 3 8 1 18 100 10 10 2 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 2 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 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 4 4 1 3 2 2 2 1 2 6 7 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 4 4 9 20 11 33 11 4 1 2 2 2 1 3 3 22 91 35 7 5 1 1 2 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 0 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 66 65 s 2H \| 34 33 s 2H \| 32 31 p 1H J 37 \| 28 27 m 4H \| 27 26 m 4H \| 16 15 m 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C1CO[C@@H]2CNC[C@H]2N1	ir: 0 1 1 0 0 0 1 2 2 1 2 2 1 1 1 0 0 2 2 2 3 3 1 1 3 2 1 1 2 2 2 3 1 1 2 1 4 5 8 4 4 8 1 1 2 3 7 2 2 1 2 11 8 3 7 20 13 7 6 1 3 4 3 2 4 1 3 12 8 2 6 5 4 2 4 3 1 1 0 2 2 0 1 1 0 0 0 1 1 1 1 1 0 1 2 1 1 1 1 1 0 1 1 2 2 3 7 8 6 38 18 16 19 21 4 3 5 3 0 2 2 1 1 1 4 2 2 1 2 1 1 1 1 1 2 3 1 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 3 4 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 3 73 100 36 4 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 38 38 ddd 1H J 20 46 114 \| 37 36 m 2H \| 33 32 dt 1H J 38 62 \| 31 31 m 2H \| 31 30 dd 1H J 40 135 \| 30 29 dddd 1H J 20 38 46 139 \| 29 28 m 2H \| 28 28 ddd 1H J 17 40 133 \| 27 26 p 1H J 40	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)NC(=S)CCC2(C)C	ir: 4 7 5 3 2 1 2 2 3 3 3 8 4 2 2 2 0 4 7 3 3 3 1 2 2 7 31 11 22 40 40 11 16 10 14 16 7 9 17 5 2 2 2 1 2 2 2 1 2 2 3 5 15 12 10 5 1 1 1 0 2 4 8 3 4 7 4 11 10 2 2 2 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 2 7 8 9 10 10 6 6 2 1 3 8 27 13 15 16 13 6 2 4 5 8 4 2 4 6 5 4 2 7 5 3 12 10 12 15 7 4 9 7 2 1 2 2 1 0 2 2 1 14 15 20 73 24 1 4 29 20 3 1 5 43 30 24 5 3 5 3 0 3 7 29 26 2 0 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 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 3 3 3 2 2 3 2 2 3 2 2 3 3 5 6 26 8 10 19 27 5 1 1 2 1 2 3 3 2 1 1 1 1 0 1 2 2 2 2 6 6 16 100 86 17 6 3 4 1 1 1 1 1 1 1 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 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1; 1HNMR: 93 92 s 1H \| 79 78 d 1H J 22 \| 76 75 dd 1H J 22 77 \| 73 72 s 1H \| 72 72 d 1H J 78 \| 29 28 t 2H J 71 \| 21 21 t 2H J 71 \| 15 14 s 8H \| 14 13 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1cc(S[C@@H]2CCC[C@H]2O)cc(C(C)(C)C)c1O	ir: 4 3 2 2 3 2 1 2 3 1 2 1 1 2 1 3 1 2 3 5 3 2 3 2 2 2 2 2 3 1 1 1 2 1 0 1 1 1 3 4 4 15 6 3 3 2 2 2 2 1 2 1 1 1 1 2 1 0 2 7 5 1 3 6 2 3 19 2 7 4 4 1 2 5 2 7 5 4 8 6 32 48 9 1 7 6 38 29 50 14 8 5 18 5 4 3 3 6 4 5 10 6 2 4 5 4 1 2 1 1 3 5 3 2 2 5 3 3 4 2 4 3 2 3 4 2 3 2 3 6 2 5 4 2 1 2 1 1 2 2 6 23 4 3 1 1 1 0 3 8 1 1 0 0 0 0 0 0 0 0 1 1 1 1 3 2 1 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 2 1 1 3 2 1 1 1 1 2 3 1 1 2 1 1 2 3 2 1 5 4 2 4 16 6 7 12 20 5 2 1 4 10 6 71 100 3 4 4 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 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; 1HNMR: 71 71 s 2H \| 66 65 s 1H \| 41 41 m 1H \| 31 30 ddt 1H J 22 52 61 \| 29 29 d 1H J 44 \| 20 19 m 2H \| 18 16 m 4H \| 14 13 s 17H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOc1ccc(Sc2ccc(OCCOC)cc2)cc1	ir: 4 5 2 3 9 3 5 5 10 7 13 13 10 4 1 6 5 2 1 2 3 1 1 4 4 2 2 8 8 8 4 6 4 1 1 3 2 0 1 4 3 0 2 7 3 3 4 7 6 5 9 16 28 79 82 59 48 6 19 6 8 9 5 3 10 13 15 30 22 20 11 11 6 5 4 4 2 5 9 6 2 10 15 4 3 3 14 14 2 3 3 3 1 5 4 6 4 4 5 3 0 1 3 2 1 1 5 2 1 3 4 4 6 6 4 3 1 3 10 4 2 4 7 8 6 6 5 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 4 2 2 25 62 37 13 13 14 10 26 9 4 2 3 3 3 1 10 5 3 1 2 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 2 1 0 2 2 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 3 2 0 1 3 1 0 1 3 1 0 2 3 1 0 2 3 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 3 4 5 5 3 4 4 2 2 5 29 15 26 100 71 87 57 14 14 7 5 5 3 3 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0; 1HNMR: 74 73 m 4H \| 69 68 m 4H \| 41 41 t 4H J 49 \| 37 36 t 4H J 49 \| 34 34 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)NC=Cc1ccc(OC(N)C(O)CC(C)C)c(OC)c1	ir: 7 6 11 9 1 7 5 5 6 3 9 6 8 5 1 3 3 6 9 7 4 6 4 6 3 4 2 2 4 6 6 7 4 100 11 10 5 8 2 2 2 3 4 4 4 5 2 2 1 2 1 0 3 13 8 2 1 2 1 2 4 5 4 3 14 8 9 9 12 4 7 5 4 8 4 8 9 11 21 22 9 19 47 11 15 8 11 22 11 16 10 11 6 3 4 1 3 3 2 2 3 2 3 4 4 13 4 2 3 3 6 4 9 3 4 2 3 4 4 4 5 2 1 5 14 9 21 25 32 16 24 17 38 7 3 5 6 8 2 3 2 10 9 8 15 4 3 4 3 20 4 3 2 1 3 2 2 0 1 1 1 1 1 1 1 1 1 2 11 0 1 1 0 0 0 1 0 0 1 1 0 1 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 0 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 1 1 1 1 1 1 1 2 2 2 2 2 3 3 4 3 11 8 9 6 23 11 5 2 3 5 14 31 31 5 5 4 7 5 6 6 6 5 78 11 11 6 69 6 30 13 6 6 3 3 1 1 2 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 d 1H J 73 \| 73 72 dd 1H J 74 131 \| 71 70 m 1H \| 70 70 m 2H \| 67 66 m 1H \| 48 47 q 1H J 48 \| 39 39 s 2H \| 38 37 m 4H \| 36 35 d 2H J 48 \| 34 33 d 1H J 48 \| 18 16 dtt 1H J 64 80 129 \| 16 16 ddd 1H J 71 81 141 \| 14 13 ddd 1H J 72 81 141 \| 10 9 d 3H J 64 \| 9 8 d 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1cc(O)nc(N)n1	ir: 5 5 6 5 10 17 11 10 9 5 6 4 4 3 2 5 4 4 15 6 7 5 2 3 3 3 2 3 3 3 2 4 10 6 5 17 24 14 34 13 23 4 8 10 10 6 7 4 3 3 3 5 3 2 5 3 3 3 3 5 4 3 3 14 12 10 6 4 5 3 2 5 5 6 11 10 8 4 14 3 5 3 4 3 2 3 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 5 3 9 3 3 3 4 2 2 3 2 2 6 3 4 2 2 2 3 3 2 3 2 2 4 3 4 6 13 7 12 14 13 6 46 12 25 8 4 2 2 4 3 1 2 18 16 3 100 0 1 3 2 1 2 2 2 2 2 2 2 2 2 1 2 2 2 2 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 1 2 2 1 1 2 1 1 1 2 1 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 3 1 4 4 3 6 3 4 2 0 2 6 1 27 5 56 3 4 2 3 4 4 6 8 6 11 16 23 12 13 7 5 5 44 7 89 10 3 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 2 2 2 2 1 1 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 66 66 s 2H \| 65 64 q 1H J 47 \| 51 51 s 1H \| 30 29 d 4H J 48	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(CNc2nccc(Nc3cc(C4CCCC4)n[nH]3)n2)on1	ir: 3 6 5 6 5 4 40 9 9 7 6 3 1 2 3 5 9 10 7 4 2 2 3 3 5 4 11 13 15 5 8 2 1 1 1 1 1 1 1 1 2 2 2 2 2 1 3 4 11 28 2 3 1 11 16 58 82 34 6 9 3 2 3 2 2 0 5 4 2 4 6 7 27 21 9 3 5 2 2 1 1 1 2 9 2 1 1 1 1 1 2 1 1 5 9 2 1 5 2 1 0 2 13 14 3 11 8 8 8 4 7 13 4 3 3 2 8 2 2 2 2 2 1 4 3 5 10 8 4 5 6 1 3 4 2 1 1 2 37 2 8 41 4 2 4 7 8 23 4 6 56 16 5 5 10 11 7 57 13 4 2 5 22 10 4 2 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 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 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 2 4 6 8 4 4 17 29 9 3 2 1 1 1 1 2 1 2 2 2 1 1 1 1 3 1 4 3 11 7 15 50 100 23 9 5 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 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 92 92 s 1H \| 82 82 d 1H J 42 \| 74 73 s 1H \| 71 70 t 1H J 53 \| 67 66 d 1H J 42 \| 63 63 m 1H \| 63 63 d 1H J 7 \| 50 49 dd 2H J 9 53 \| 35 34 m 1H \| 23 23 s 3H \| 21 20 m 2H \| 18 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.
Cc1cc(NCC#N)ccc1Br	ir: 4 5 7 7 6 23 29 49 48 17 10 7 10 5 5 3 4 10 13 4 2 2 3 2 5 4 2 2 2 2 2 2 2 2 2 1 1 2 2 2 2 2 2 1 2 2 2 1 1 2 2 0 8 23 25 10 4 3 9 4 2 1 8 6 8 6 4 3 5 6 10 10 7 3 2 2 2 2 2 2 2 3 2 2 2 2 5 2 2 2 2 3 18 12 9 4 3 2 2 2 2 2 2 7 4 12 46 12 3 2 2 3 4 8 5 5 6 4 4 4 42 19 3 3 2 2 3 2 2 3 3 3 2 2 2 2 5 8 9 19 3 17 39 5 2 2 1 2 6 18 11 20 7 6 18 19 4 2 3 3 2 4 6 39 3 2 2 2 2 1 2 1 2 2 2 2 2 2 2 4 2 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 3 3 3 2 3 4 5 12 14 15 42 15 14 14 5 4 4 2 2 2 2 3 4 3 2 4 5 4 4 8 4 3 3 8 56 100 28 20 9 6 3 1 2 3 3 3 3 3 3 2 3 3 2 1 1 2 2 1 2 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 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 1 1 1 2; 1HNMR: 73 72 d 1H J 83 \| 66 65 dd 1H J 22 82 \| 65 65 m 1H \| 53 52 t 1H J 32 \| 41 41 d 2H J 33 \| 23 23 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1cc(Br)ccc1CN1CCN(C(=O)OC(C)(C)C)CC1	ir: 24 23 31 21 14 24 24 28 17 28 62 46 12 10 15 14 11 8 6 5 6 13 10 4 4 5 3 4 6 4 5 5 6 3 4 5 3 5 3 3 5 6 6 3 4 5 8 5 4 6 6 6 13 19 13 57 14 7 9 7 5 8 12 5 10 17 17 33 13 5 4 3 5 8 5 8 8 10 10 15 41 6 12 12 28 24 8 9 26 10 11 8 14 8 14 9 15 12 16 7 8 6 10 7 6 5 8 7 4 5 8 5 11 11 16 15 6 10 10 50 10 37 16 57 14 8 9 10 17 28 16 42 16 8 12 22 16 22 9 3 3 5 4 5 17 12 5 0 7 100 17 65 11 20 10 6 3 2 2 4 4 6 2 3 3 2 2 3 2 2 3 3 2 2 3 3 2 2 2 3 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 3 2 2 3 3 2 3 4 4 6 8 6 4 4 5 6 7 4 5 9 7 11 17 37 50 56 17 61 29 9 5 3 7 5 3 2 3 3 3 2 3 3 2 2 3 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 74 73 dd 1H J 22 82 \| 73 73 dd 1H J 9 22 \| 72 71 dt 1H J 9 82 \| 37 37 d 2H J 7 \| 34 33 m 4H \| 31 30 pd 1H J 9 68 \| 26 26 m 4H \| 15 14 s 8H \| 13 13 d 6H J 69	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCC(OC(c2cccc(Br)c2)c2nc3cc(F)ccc3[nH]2)CC1	ir: 4 2 1 5 11 8 2 4 3 4 4 5 4 1 1 5 6 5 5 12 31 5 8 4 5 27 24 8 10 7 4 3 3 3 5 7 5 16 4 3 2 2 2 1 3 5 16 8 4 3 3 5 5 7 21 3 4 7 3 3 2 1 5 11 14 27 24 44 10 6 4 5 3 7 12 14 9 4 15 15 13 17 5 3 4 15 9 3 3 2 10 4 8 5 7 6 3 6 9 5 5 5 10 7 3 2 5 17 1 2 3 2 2 3 3 3 2 3 6 3 1 5 5 3 2 5 8 6 15 4 2 1 2 2 5 7 1 4 11 7 9 4 3 1 0 59 0 2 1 2 2 7 6 16 30 9 2 2 2 1 2 2 2 1 1 2 1 0 1 2 1 0 1 2 1 1 1 3 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 2 1 1 1 2 2 2 2 5 3 1 2 3 3 5 3 9 7 7 4 100 21 2 5 4 1 0 3 3 1 0 2 2 1 0 1 2 1 1 2 2 1 0 2 3 6 24 20 10 2 2 2 1 1 1 2 1 1 1 1 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 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0; 1HNMR: 77 76 dd 1H J 46 76 \| 75 75 td 1H J 7 18 \| 75 74 m 2H \| 73 72 m 2H \| 72 71 ddd 1H J 22 76 101 \| 61 61 d 1H J 9 \| 41 41 p 1H J 42 \| 28 27 ddd 2H J 64 91 121 \| 26 25 ddd 2H J 64 92 119 \| 23 23 s 3H \| 21 20 dddd 2H J 42 64 91 132 \| 19 18 dddd 2H J 42 64 91 131	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2c(N)[nH]c(=O)n(Cc3ccccc3F)c2=O)cc1	ir: 8 8 8 3 4 4 3 1 5 6 5 6 7 8 3 5 3 3 0 3 3 2 2 4 3 9 5 5 5 3 3 6 4 11 8 8 14 17 6 8 12 4 18 5 5 4 5 15 8 4 4 10 4 10 23 85 18 16 8 16 14 7 4 4 4 3 2 2 1 4 3 1 2 2 2 4 3 3 2 6 4 2 2 1 7 19 4 1 4 5 3 2 1 1 1 3 2 2 3 6 3 3 2 5 4 2 1 2 2 4 9 13 2 2 2 1 2 1 1 2 2 1 4 3 3 4 4 15 16 12 2 4 3 2 2 3 11 11 5 2 3 8 32 7 3 2 10 12 15 12 34 100 27 52 20 8 20 3 4 7 31 21 22 0 1 3 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 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 1 0 0 0 1 1 1 1 2 1 1 3 3 1 1 1 2 1 2 2 9 10 6 8 29 12 6 10 3 2 1 2 1 1 1 1 1 1 1 1 1 2 3 2 4 14 23 50 45 24 9 5 7 5 3 1 2 2 32 18 4 3 1 1 1 1 1 1 1 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; 1HNMR: 98 98 s 1H \| 76 76 s 1H \| 74 74 dddt 1H J 8 18 36 90 \| 73 73 dddd 1H J 18 40 79 88 \| 73 71 m 7H \| 67 67 s 2H \| 57 57 s 1H \| 52 52 dd 2H J 8 36 \| 37 36 t 2H J 8 \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCSN(C)C(=O)Nc1ccc(C)c(C)c1	ir: 1 2 2 1 7 1 1 1 3 1 2 1 1 3 1 1 2 2 1 1 1 1 1 2 1 1 3 2 1 1 1 1 1 1 1 1 4 2 2 6 7 19 26 5 2 4 3 1 1 1 1 3 3 3 8 2 1 1 1 1 1 1 1 0 1 3 2 0 5 2 4 7 2 1 1 2 4 1 1 1 0 1 0 0 1 1 1 1 1 2 1 1 1 1 2 4 9 3 0 2 1 1 1 2 4 14 2 1 2 3 1 1 2 3 2 3 3 4 4 2 2 1 1 1 1 2 1 1 2 1 2 1 1 0 0 1 1 1 1 1 1 1 11 1 4 13 5 3 2 1 5 100 20 12 14 9 12 3 1 1 1 1 2 7 1 2 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 7 8 5 7 27 12 3 2 2 1 1 1 0 1 1 1 0 1 6 2 2 2 1 1 1 1 5 20 21 28 19 10 7 6 2 1 1 1 1 1 1 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 s 1H \| 74 74 dd 1H J 21 80 \| 73 72 m 1H \| 70 69 dq 1H J 10 79 \| 32 31 s 3H \| 28 27 t 2H J 63 \| 23 23 d 3H J 10 \| 22 22 s 3H \| 17 16 p 2H J 63 \| 14 13 dtd 2H J 63 71 134 \| 10 9 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C(=O)O)=C(C)c1ccc(OCCCCO)cc1	ir: 2 2 2 4 5 3 4 3 1 2 3 4 2 3 2 3 3 4 6 4 2 13 60 6 6 2 3 3 2 2 1 1 2 1 2 2 3 2 2 2 3 1 2 2 2 1 1 2 2 1 2 2 2 1 6 37 4 1 2 2 2 1 2 3 6 4 3 4 2 3 3 5 2 2 3 3 5 28 6 0 3 4 3 3 4 4 15 17 23 14 11 4 6 10 5 2 3 2 1 2 2 1 1 1 3 2 3 5 5 3 1 1 2 2 1 2 2 3 2 5 4 3 5 5 4 5 3 2 2 1 3 2 2 2 2 2 3 11 5 2 2 1 2 1 2 2 3 0 31 2 3 4 4 2 2 7 2 1 1 1 1 1 1 3 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 2 3 3 2 3 3 3 4 7 4 4 2 4 3 8 8 19 20 9 5 4 6 3 5 25 43 100 56 9 0 3 4 2 0 2 3 1 1 3 2 2 2 3 2 3 2 3 2 2 3 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 75 75 m 2H \| 69 69 m 2H \| 41 40 t 2H J 57 \| 37 36 q 2H J 57 \| 30 29 t 1H J 59 \| 25 24 q 3H J 9 \| 19 19 q 3H J 9 \| 19 18 ttd 2H J 8 57 81 \| 17 16 ttd 2H J 9 57 84	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCNS(=O)(=O)c1cc(C=O)c(OC)c(-c2cccc(S(=O)(=O)NC(C)(C)C)c2)c1	ir: 11 9 12 9 3 8 8 3 1 5 11 14 5 7 6 3 7 5 1 0 1 5 7 2 0 1 1 1 2 3 3 2 2 30 26 7 3 6 7 5 18 31 13 20 17 8 11 26 17 6 10 8 26 9 11 10 4 4 6 5 11 10 7 22 11 42 31 51 35 18 9 5 6 14 9 7 2 4 1 3 2 14 12 5 11 24 100 16 21 37 4 10 10 6 15 6 6 8 13 7 8 43 27 37 23 21 14 35 10 9 8 8 4 9 13 41 29 12 1 10 8 17 12 21 10 9 2 9 6 9 14 9 8 7 5 6 34 8 8 8 1 1 1 1 1 1 1 1 0 1 1 2 3 1 3 2 1 9 3 1 8 0 3 1 1 0 0 1 0 0 0 1 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 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 1 1 1 0 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 2 1 1 3 3 4 7 5 10 8 60 36 5 3 0 1 1 1 1 1 1 1 0 2 1 1 0 2 4 8 9 28 68 43 14 3 2 2 1 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 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 d 1H J 22 \| 82 82 d 1H J 22 \| 81 81 t 1H J 21 \| 78 78 ddd 1H J 13 22 86 \| 77 76 dd 1H J 76 85 \| 76 75 ddd 1H J 12 21 77 \| 59 58 t 1H J 67 \| 56 56 s 1H \| 39 39 s 3H \| 30 30 q 2H J 64 \| 16 15 p 2H J 62 \| 14 13 h 2H J 65 \| 10 10 s 8H \| 9 9 t 3H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC1CCN(CCCN2C(=O)COc3c2cc(Cl)c(CC)c3Cl)CC1	ir: 4 27 10 15 18 10 15 14 60 8 13 6 14 10 21 14 23 11 8 13 16 13 13 26 32 14 12 91 30 12 24 7 9 13 48 7 7 10 24 36 62 9 10 42 16 9 10 6 21 7 17 13 13 10 19 75 55 31 6 6 5 10 17 17 17 30 23 27 92 38 35 26 23 16 16 27 13 7 5 8 12 15 47 27 49 77 32 9 6 6 3 4 7 20 5 8 14 8 35 57 37 40 51 8 20 22 7 45 26 64 24 32 14 40 37 20 15 19 19 32 43 42 25 17 17 16 54 20 36 16 14 10 14 10 6 21 20 20 18 10 11 16 7 8 4 0 21 17 49 100 16 8 44 5 4 6 5 3 5 7 6 72 17 5 4 3 3 4 3 3 4 4 3 2 4 4 3 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 4 5 4 3 3 4 3 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 4 4 4 4 3 4 4 6 4 5 7 12 7 9 13 36 30 15 24 13 16 15 21 18 71 98 36 36 74 35 21 12 10 7 8 6 5 5 4 4 4 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 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 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4; 1HNMR: 72 72 s 1H \| 48 48 s 2H \| 41 41 t 2H J 67 \| 28 26 m 8H \| 19 18 p 2H J 66 \| 18 17 ddt 2H J 55 82 123 \| 16 15 ddt 2H J 56 82 123 \| 15 14 m 1H \| 14 14 t 3H J 77 \| 14 12 m 6H \| 9 9 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)C1CCN(Cc2ccccc2)CC1	ir: 21 6 7 6 7 4 8 2 1 2 2 2 0 2 2 1 1 11 3 2 1 2 7 9 8 3 3 3 2 4 10 20 20 17 37 18 8 4 3 8 21 65 2 1 4 16 3 3 1 3 2 0 4 3 3 0 6 2 1 0 1 3 1 1 3 4 2 2 26 1 3 3 6 8 5 3 8 11 6 4 6 5 22 13 3 2 2 2 5 4 1 2 3 2 2 1 4 4 9 3 20 7 1 4 3 28 2 3 4 3 2 14 5 2 0 1 3 2 2 3 5 8 4 14 6 7 2 9 4 5 7 8 4 5 29 66 4 2 2 5 4 5 53 16 16 100 44 9 1 2 2 8 3 1 2 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 2 2 1 0 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 4 3 2 2 2 4 6 3 2 14 5 14 86 9 20 2 2 2 3 2 1 4 2 1 1 2 3 2 2 3 2 2 3 9 19 84 15 13 17 6 2 2 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 73 72 m 5H \| 59 58 q 1H J 53 \| 35 35 d 2H J 8 \| 29 28 ddd 2H J 56 83 122 \| 28 27 d 3H J 52 \| 27 26 ddd 2H J 56 83 121 \| 25 24 p 1H J 51 \| 21 20 m 2H \| 18 17 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(OCc2ccccc2)c(CBr)n1	ir: 7 3 1 4 7 5 19 11 11 5 1 5 6 5 4 4 8 3 1 7 5 4 20 4 4 2 2 6 6 7 9 35 8 10 5 5 8 9 42 56 47 24 6 10 7 1 5 8 7 0 3 9 28 9 4 5 4 2 3 5 15 2 5 6 9 11 15 21 17 9 8 8 3 2 4 7 3 9 11 7 2 2 5 9 21 5 6 8 10 7 8 6 2 2 5 5 5 13 19 6 3 3 6 5 3 4 7 9 2 3 6 4 1 3 6 3 1 5 9 5 4 7 12 4 4 7 5 5 4 7 5 4 3 9 15 22 12 81 53 18 4 5 18 100 5 14 6 2 2 7 14 42 13 8 4 3 3 6 16 3 3 5 3 0 3 5 3 0 2 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 2 1 4 4 2 2 4 4 1 2 4 4 1 2 4 3 1 2 5 3 1 2 5 3 0 2 5 3 0 3 5 3 0 3 5 2 1 3 5 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 2 2 4 4 2 5 5 4 1 5 14 6 3 4 8 10 6 6 16 21 36 40 76 59 15 10 8 4 3 5 7 3 1 3 4 2 1 3 4 2 1 4 4 2 2 4 4 2 2 4 4 2 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 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 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1; 1HNMR: 74 73 m 4H \| 73 73 m 1H \| 71 70 d 1H J 86 \| 70 70 dq 1H J 9 87 \| 52 51 d 2H J 9 \| 46 45 s 2H \| 25 25 d 3H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCC(C(=O)C2NCCCC2CCc2cccc(F)c2)CC1	ir: 0 1 0 3 5 3 3 7 2 4 2 10 5 8 5 9 2 2 2 1 3 8 4 11 7 5 5 4 5 7 7 12 10 9 17 5 6 14 8 5 4 10 11 6 10 6 34 46 15 11 9 11 10 8 9 4 8 9 6 4 3 3 6 1 10 6 7 22 15 5 11 1 2 2 1 6 4 3 2 3 17 33 2 1 3 2 3 26 15 16 2 1 1 2 4 4 4 10 3 10 5 4 1 10 6 4 7 11 18 8 10 10 8 25 26 35 16 22 13 11 9 6 3 8 15 6 7 14 10 10 8 3 3 2 2 2 1 3 4 9 29 14 4 2 1 0 1 1 1 0 2 10 1 1 9 4 1 0 1 1 5 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 2 1 2 2 5 4 6 5 3 5 3 4 4 14 31 5 9 52 19 1 3 2 1 1 2 2 2 2 2 2 2 1 2 3 5 14 26 100 7 7 2 1 2 1 1 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; 1HNMR: 73 72 td 1H J 50 77 \| 70 69 m 2H \| 69 68 dtd 1H J 10 21 121 \| 37 36 t 1H J 68 \| 33 32 dt 1H J 40 66 \| 31 30 dddd 1H J 32 41 60 134 \| 29 27 m 4H \| 26 25 m 3H \| 26 25 m 1H \| 23 23 s 2H \| 21 20 m 3H \| 19 17 m 5H \| 17 15 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1cc(C(F)(F)F)c2ccccc2[nH]1	ir: 4 4 4 5 7 8 6 3 2 4 8 5 7 5 4 4 5 11 65 34 0 8 21 8 6 5 5 3 2 5 5 3 4 9 29 13 5 5 5 16 33 14 10 60 29 10 6 2 3 6 4 1 4 10 10 5 4 6 4 2 4 6 4 2 5 13 100 88 10 4 4 3 4 5 4 4 5 4 3 3 7 8 4 4 7 7 4 6 15 19 4 3 4 4 7 17 20 19 80 37 17 18 27 1 8 4 0 3 7 4 0 4 8 5 3 36 21 6 1 5 6 3 1 4 6 3 1 8 17 17 5 5 5 3 2 4 5 7 7 5 6 4 5 16 14 7 6 5 4 3 4 6 88 92 7 8 5 3 4 11 10 4 3 5 44 27 7 6 4 2 3 5 4 2 4 5 4 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 4 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 3 5 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 5 4 3 3 5 4 3 3 5 4 3 4 5 4 3 4 4 4 6 5 15 18 27 43 28 11 1 5 7 3 2 4 6 3 4 5 6 3 2 5 7 4 2 7 8 16 36 39 25 7 5 6 5 4 4 5 4 3 3 5 4 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5; 1HNMR: 78 78 dd 1H J 15 73 \| 74 74 td 1H J 16 78 \| 74 73 m 2H \| 71 70 q 1H J 17	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1COc2c(cccc2NC(=O)NCc2ccc(C(F)(F)F)nc2N2CCCC2)N1	ir: 2 2 1 5 2 2 1 1 3 2 3 1 1 2 1 12 4 2 1 2 2 3 3 4 2 4 4 7 12 27 36 17 3 3 2 2 9 18 6 8 17 10 13 21 15 14 4 5 10 25 24 6 12 9 20 8 3 1 1 1 1 6 6 1 1 4 9 1 4 2 2 1 1 2 2 2 1 2 1 1 1 1 1 1 2 2 4 6 7 7 3 9 4 10 4 2 3 3 9 3 2 2 15 2 11 3 15 5 2 2 4 6 15 9 5 18 5 3 2 4 4 11 5 4 4 2 1 1 2 2 7 8 4 2 1 3 1 3 4 19 43 5 3 4 2 1 18 10 28 5 22 9 34 13 4 3 1 3 11 17 16 9 4 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 0 1 1 1 1 1 4 1 1 1 2 1 2 4 3 6 12 33 15 4 3 2 2 1 2 1 1 1 1 1 1 1 1 2 1 2 2 4 5 6 14 30 100 36 9 10 5 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 95 94 s 1H \| 78 78 s 1H \| 78 77 dd 1H J 11 79 \| 77 76 dd 1H J 12 80 \| 75 75 dt 1H J 9 75 \| 75 74 dq 1H J 20 77 \| 71 71 m 2H \| 48 47 dd 2H J 8 65 \| 47 46 s 2H \| 37 36 m 4H \| 20 19 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC(C#N)/N=N/c1ccccc1	ir: 2 2 1 3 3 3 3 1 2 1 1 2 2 1 1 3 2 1 2 6 4 4 1 5 15 7 2 3 7 5 4 5 5 18 8 4 2 2 2 9 34 41 100 5 2 0 2 5 3 2 2 2 2 0 1 2 1 0 1 3 2 1 4 6 13 0 8 15 20 21 4 5 2 2 3 4 11 4 16 5 2 2 10 6 3 2 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 4 1 1 1 2 1 1 2 3 4 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 10 4 4 4 2 1 1 2 4 13 9 6 5 1 2 2 23 7 6 2 2 1 1 2 2 3 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 6 14 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 3 1 1 5 3 4 5 2 3 6 32 31 23 22 4 4 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 76 76 m 2H \| 75 74 m 3H \| 55 55 s 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1(O)CCC(CN)CC1	ir: 1 1 0 1 2 1 0 1 2 1 1 1 1 1 1 3 2 1 0 1 1 0 1 2 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 11 20 13 4 6 22 6 3 4 10 14 15 7 2 1 4 3 10 10 19 10 4 3 7 2 3 1 1 1 1 2 1 1 3 3 3 10 4 10 2 1 1 1 1 1 1 2 0 1 7 4 1 3 4 1 1 1 1 2 1 4 7 4 4 6 7 7 3 2 2 2 2 4 5 9 5 6 5 16 19 3 9 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 1 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 1 0 1 1 0 0 1 1 1 1 1 1 1 1 2 2 3 3 2 2 1 1 9 4 3 2 1 1 0 1 1 1 1 4 7 3 2 3 7 5 6 10 15 5 1 3 4 80 67 100 23 3 2 1 0 2 1 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 27 26 m 3H \| 17 15 m 6H \| 15 14 m 3H \| 14 13 m 2H \| 14 13 m 2H \| 9 8 t 3H J 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CC1CCC(c2ccccc2)CC1	ir: 5 4 2 4 1 2 2 1 1 1 2 5 2 4 2 1 0 1 3 1 2 1 1 1 2 8 7 3 6 4 15 10 11 5 2 1 3 5 7 19 47 49 23 5 2 3 2 2 2 2 1 1 2 1 2 2 2 1 2 1 1 1 2 3 2 3 3 3 8 7 17 2 4 7 7 9 5 7 3 2 2 1 1 1 1 1 0 0 1 2 3 5 2 2 2 3 5 6 3 4 6 3 5 4 3 5 17 15 8 9 7 7 3 4 7 4 5 10 3 3 7 6 6 8 5 2 4 3 6 5 3 7 8 5 6 9 9 15 5 4 5 5 14 36 57 100 13 1 2 2 3 5 7 5 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 1 2 2 6 3 5 4 4 3 5 7 6 18 11 6 19 15 36 12 5 1 2 2 1 1 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 m 2H \| 73 72 m 3H \| 42 41 q 2H J 66 \| 27 26 tt 1H J 56 66 \| 23 22 d 2H J 72 \| 21 19 tt 1H J 64 74 \| 19 19 ddt 2H J 58 82 132 \| 16 15 m 4H \| 13 13 m 1H \| 13 12 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1ccn2cc(-c3ccc4c(c3)OCO4)nc2c1	ir: 6 4 8 26 7 4 3 5 7 14 12 8 6 4 4 7 13 13 8 6 6 10 9 4 4 4 4 4 8 4 3 5 12 14 6 4 4 4 4 15 4 4 5 8 5 4 4 4 4 10 5 4 4 21 48 15 5 4 5 5 16 48 11 9 6 26 17 12 10 8 13 12 6 7 9 10 5 42 11 9 9 43 24 28 10 6 4 4 6 15 26 10 4 4 4 4 7 8 12 17 13 5 4 5 5 6 13 8 16 33 7 8 7 4 6 6 8 7 9 6 10 8 12 18 29 28 15 7 7 6 5 41 9 7 8 41 10 6 5 5 4 4 4 16 6 10 12 12 7 4 5 22 6 14 4 4 4 4 4 4 3 4 4 4 5 4 4 4 4 5 22 4 5 0 31 4 4 5 4 3 4 4 3 3 4 4 4 3 3 4 3 3 3 4 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 4 3 3 4 3 3 3 4 4 3 3 3 3 3 3 3 3 3 4 4 3 4 3 4 4 4 4 4 4 4 4 4 4 5 5 4 6 5 4 5 9 14 6 5 6 6 10 5 5 10 13 25 43 100 56 58 26 37 38 11 7 5 6 5 4 5 5 4 4 4 5 4 4 5 5 5 6 6 30 27 12 5 5 5 4 4 4 4 4 4 4 3 3 4 3 3 3 4 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 4 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; 1HNMR: 90 90 d 1H J 73 \| 83 82 s 1H \| 75 75 dd 1H J 17 89 \| 73 73 d 1H J 17 \| 70 69 dd 1H J 14 74 \| 69 69 m 2H \| 67 66 q 1H J 49 \| 61 60 s 2H \| 29 29 d 3H J 49	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ncccc1Br	ir: 4 2 0 4 6 13 1 4 5 2 1 3 3 2 1 3 4 1 1 3 3 1 1 3 3 1 1 3 4 0 2 10 22 9 34 18 4 2 4 12 4 14 3 1 2 2 6 2 2 2 2 2 2 1 2 3 2 1 2 4 3 6 33 19 4 3 2 10 9 10 5 3 4 3 3 2 2 2 4 5 9 29 5 6 6 5 5 3 5 5 5 20 1 2 3 2 1 2 2 2 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 3 4 7 17 7 4 5 5 3 2 2 3 3 2 3 4 5 52 15 67 6 3 10 10 3 2 3 2 100 5 7 4 1 2 3 5 2 3 25 27 13 11 10 10 1 2 3 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 3 2 2 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 3 2 1 2 3 3 4 6 6 3 2 2 3 2 2 3 3 4 3 4 10 16 31 24 22 76 30 10 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 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 85 84 dd 1H J 20 42 \| 76 75 dd 1H J 21 80 \| 73 72 dd 1H J 42 81 \| 24 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@H]1OC(=O)CO	ir: 9 5 6 4 2 3 4 3 2 4 3 4 3 4 4 4 2 8 3 3 3 6 2 3 2 3 5 5 2 3 7 2 2 2 3 1 1 2 2 1 2 3 5 3 2 2 4 5 2 3 3 3 3 2 2 2 2 2 6 1 4 2 3 3 3 3 2 2 3 2 3 2 3 2 3 3 7 22 7 5 5 5 4 4 7 11 7 7 26 100 25 9 6 5 10 8 21 19 5 3 4 4 5 9 5 3 2 7 5 4 4 5 3 6 7 6 4 5 8 10 4 4 1 3 6 3 3 3 4 4 3 3 3 2 2 2 4 3 3 7 9 5 4 6 28 7 3 2 2 2 2 2 2 1 1 1 1 2 2 0 68 0 1 3 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 2 3 3 1 3 5 4 8 8 8 4 6 4 6 5 6 18 12 10 7 5 2 2 1 2 3 5 28 11 3 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 57 57 dp 1H J 9 18 \| 47 47 dt 1H J 15 57 \| 43 42 dd 1H J 61 138 \| 42 41 dd 1H J 62 139 \| 33 32 t 1H J 62 \| 25 24 dddd 1H J 9 55 82 143 \| 24 21 m 5H \| 20 19 dddtt 1H J 15 30 59 73 118 \| 18 17 m 2H \| 16 12 m 12H \| 9 9 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(C[C@@]23C[C@H](N)CN2C(=O)N(c2cc(Cl)cc(Cl)c2)C3=O)cc1	ir: 4 2 4 4 5 2 1 6 5 2 2 2 4 4 2 2 4 2 0 2 2 1 1 2 5 13 9 4 3 1 5 8 10 6 6 3 3 1 2 2 2 2 10 9 41 11 18 3 3 2 4 5 3 8 4 7 14 21 40 9 4 3 19 6 5 18 18 8 9 12 6 3 1 2 3 4 4 38 53 6 11 6 3 6 3 4 3 6 3 2 5 12 7 4 15 10 29 4 5 3 2 2 4 6 3 5 25 5 1 3 4 1 0 2 3 2 0 2 3 1 1 3 10 8 3 13 6 6 3 7 4 7 10 11 100 86 21 4 2 3 3 3 2 2 3 4 23 3 26 3 3 0 4 4 6 43 2 1 8 2 26 4 2 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 2 2 3 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 2 2 3 3 4 2 2 2 2 2 3 4 7 5 20 42 19 7 5 5 3 3 2 2 1 1 2 3 4 28 34 8 6 2 3 3 5 87 19 5 0 0 3 3 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 76 76 m 2H \| 74 74 d 2H J 22 \| 73 73 m 3H \| 39 39 dd 1H J 29 127 \| 37 36 dd 1H J 47 126 \| 35 34 m 1H \| 34 33 m 1H \| 31 31 m 1H \| 30 29 d 2H J 63 \| 25 24 m 1H \| 22 22 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC[C@H]1O[C@@H]1c1cc(F)cc(F)c1	ir: 4 5 3 2 1 1 1 2 1 0 1 2 2 1 1 1 1 1 1 2 1 0 0 1 1 0 0 1 4 2 1 1 1 4 3 2 4 3 5 7 3 2 1 1 1 1 1 2 1 1 1 2 1 0 1 1 2 1 3 2 3 3 1 2 2 3 9 17 10 5 4 1 2 1 1 1 2 4 2 7 14 7 3 5 3 3 3 8 11 21 14 17 12 4 3 9 16 21 6 2 3 3 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 1 0 1 1 0 0 1 1 2 2 2 0 0 0 0 0 0 0 0 0 0 1 2 3 5 1 0 0 0 0 0 0 1 1 0 1 4 2 0 1 3 51 68 4 24 13 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 1 0 0 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 2 5 4 14 21 47 31 19 15 5 7 26 28 79 100 21 22 4 7 3 3 2 2 0 0 2 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 70 ddt 2H J 8 20 113 \| 70 69 tt 1H J 22 121 \| 47 46 t 1H J 49 \| 41 40 d 1H J 59 \| 39 38 ddd 1H J 37 48 115 \| 36 35 ddd 1H J 37 48 115 \| 34 33 dt 1H J 37 58	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1cc(-c2cccc(F)c2)oc(=O)[nH]1	ir: 8 4 2 2 1 3 2 2 1 2 1 1 2 2 9 2 2 2 2 3 1 1 1 2 5 3 3 2 2 3 5 2 2 2 1 0 1 1 1 0 1 2 1 1 3 6 29 53 12 4 90 100 36 8 4 2 3 3 10 4 19 7 6 22 49 43 16 13 4 2 2 2 1 1 1 3 4 3 4 10 11 7 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 2 3 1 1 1 1 1 1 1 1 1 1 1 3 3 7 16 6 2 3 2 3 2 4 8 13 14 11 4 6 10 2 1 2 1 1 1 2 6 11 17 17 5 3 2 2 2 2 1 4 17 60 67 52 17 16 7 4 1 4 22 24 11 18 74 13 2 1 2 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 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 2 1 0 2 3 2 0 2 4 3 2 12 38 41 24 20 3 9 6 2 2 1 1 2 1 1 1 2 1 1 1 1 2 0 1 26 37 14 15 21 12 5 2 0 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 91 91 s 1H \| 77 75 m 4H \| 65 65 s 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCc1c(OCc2ccccc2)ccc(C(C)=O)c1O	ir: 14 6 8 6 4 3 1 3 4 2 2 4 4 2 1 2 2 2 1 1 1 1 1 3 2 5 4 4 5 4 2 2 2 3 2 2 5 6 7 18 24 4 3 2 3 3 2 3 1 1 2 2 3 6 7 8 3 3 2 2 1 1 1 2 3 7 3 2 3 2 3 3 3 3 2 1 2 3 3 4 1 1 3 3 3 6 13 11 17 10 4 2 2 2 2 2 3 4 3 2 2 1 1 1 1 1 1 1 1 2 1 1 2 1 2 2 1 1 2 2 4 2 2 2 2 5 4 6 5 2 3 2 1 2 4 4 4 5 1 3 5 5 5 28 6 5 3 4 3 3 1 2 3 4 11 2 1 1 1 1 2 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 0 1 1 3 2 3 2 6 3 9 16 17 7 3 2 2 2 11 100 82 41 1 0 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 77 d 1H J 82 \| 74 73 m 5H \| 73 73 m 1H \| 66 66 d 1H J 84 \| 59 58 m 1H \| 52 51 m 1H \| 51 50 m 3H \| 34 34 dt 2H J 15 79 \| 26 26 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cccc(C(=O)Nc2ccc(F)cc2)c1	ir: 10 8 22 5 9 7 8 3 7 4 2 6 5 2 2 3 4 4 2 3 3 2 2 3 5 2 1 2 3 2 3 3 2 2 3 4 2 2 4 8 43 14 5 5 8 3 4 4 6 2 3 3 3 1 5 10 10 4 2 3 2 1 2 4 2 2 7 7 3 2 2 2 1 1 2 2 5 2 4 3 1 1 4 3 36 2 3 4 2 6 2 2 1 1 2 2 7 2 3 3 2 2 2 13 2 2 7 6 0 1 3 2 0 2 3 2 0 2 3 2 1 2 3 4 1 3 4 2 1 2 2 1 1 2 2 1 1 2 2 4 4 4 4 4 1 3 4 10 11 19 14 6 9 12 33 7 6 11 40 10 3 3 5 4 5 3 2 1 2 3 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 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 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 3 3 2 2 3 3 4 14 29 17 2 3 3 2 2 2 2 1 1 2 2 2 1 2 3 5 21 41 9 4 3 3 23 12 3 3 3 4 65 100 7 1 2 3 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 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 1 1 1 2 1 1; 1HNMR: 86 86 s 1H \| 75 75 ddd 1H J 12 22 84 \| 74 74 m 2H \| 74 73 t 1H J 81 \| 73 73 t 1H J 22 \| 72 71 m 2H \| 69 69 ddd 1H J 12 21 79 \| 43 43 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1c(Cl)cc(Cl)n2nc(SCc3ccccc3)nc12	ir: 4 7 4 4 6 4 6 7 7 5 3 6 3 4 4 11 8 6 5 5 5 6 3 8 5 6 6 5 12 6 4 5 11 11 7 11 11 38 7 8 6 7 8 15 8 10 8 6 11 5 9 4 4 6 5 5 3 4 5 5 3 3 4 4 3 3 4 9 0 8 4 3 5 10 4 4 5 8 5 4 4 3 3 3 4 4 5 10 33 4 5 4 3 4 3 8 21 8 5 4 3 11 11 4 10 8 6 5 16 51 10 8 5 4 4 4 5 4 3 3 5 5 8 9 6 3 4 4 5 3 4 4 4 8 12 17 9 6 3 4 5 3 30 17 5 7 8 5 11 33 20 10 6 4 4 4 3 3 4 4 5 4 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 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 11 15 6 5 4 6 7 7 7 17 18 37 67 40 9 10 6 9 4 5 4 4 3 3 4 4 5 12 38 6 5 3 4 4 9 100 13 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 4 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; 1HNMR: 75 75 s 1H \| 74 74 dq 2H J 10 75 \| 74 73 m 2H \| 73 72 ddt 1H J 13 64 79 \| 60 60 s 2H \| 44 43 d 2H J 9	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C)(CC)c1ccc(O)cc1	ir: 4 5 5 5 6 6 5 6 6 9 5 7 7 6 5 5 5 5 4 6 4 3 3 4 3 3 3 4 4 3 3 3 4 6 6 5 3 3 3 3 3 3 3 6 3 4 4 4 3 4 6 4 8 13 29 100 17 0 9 5 5 2 4 6 4 3 4 9 6 23 6 5 4 3 4 5 4 7 7 35 68 87 20 17 10 13 24 20 8 6 5 4 5 5 10 7 4 3 4 3 3 3 5 3 3 4 7 3 2 3 4 3 3 3 5 8 7 7 8 7 6 7 6 7 6 6 5 4 5 6 7 5 3 5 6 5 3 3 4 3 3 4 3 3 3 4 4 3 5 35 71 11 5 10 8 7 4 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 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 4 3 2 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 3 2 3 3 2 3 4 3 3 3 4 3 4 3 4 4 3 4 5 5 3 3 4 5 4 6 7 12 6 23 48 37 6 5 6 5 4 5 32 29 8 3 3 4 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 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 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2; 1HNMR: 72 71 m 2H \| 70 70 s 1H \| 67 67 m 2H \| 18 17 dq 2H J 76 139 \| 16 15 dq 2H J 75 139 \| 13 13 s 2H \| 8 7 t 6H J 75	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1ccc(-c2cccc3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CO3)cn1	ir: 3 5 6 5 3 10 2 2 3 3 5 2 5 2 1 7 1 1 1 1 3 1 1 3 1 1 2 1 4 2 8 33 5 5 11 10 3 2 9 4 52 45 8 5 5 2 4 18 6 1 1 7 2 3 2 8 7 4 3 1 1 2 1 3 3 1 4 12 9 19 1 1 1 0 1 1 5 2 5 1 2 2 3 3 4 13 17 31 18 23 34 3 4 4 8 2 1 4 1 2 1 2 2 7 2 1 3 1 0 0 1 1 1 0 1 0 1 1 3 1 1 3 3 2 1 1 2 1 3 1 2 3 4 4 1 13 13 3 16 6 1 3 2 15 11 2 2 1 1 7 1 3 1 0 1 3 1 3 0 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 2 1 10 10 9 100 21 9 2 2 1 1 3 4 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 d 1H J 20 \| 80 80 dd 1H J 19 81 \| 76 76 dd 1H J 12 78 \| 74 74 dt 1H J 9 81 \| 73 72 m 3H \| 73 73 s 7H \| 72 71 t 1H J 80 \| 68 68 dd 1H J 11 81 \| 45 45 dd 2H J 9 57 \| 42 42 dd 1H J 57 104 \| 40 39 dd 1H J 29 106 \| 38 37 d 2H J 125 \| 36 36 d 2H J 125 \| 33 32 dtd 1H J 29 55 82 \| 31 31 m 1H \| 31 30 t 1H J 57 \| 28 27 dd 1H J 52 153	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2cc(CO)c(=O)n(Cc3ccc(Cl)cc3)c2)cc1	ir: 5 3 4 4 5 5 5 4 10 6 8 5 2 9 8 4 4 6 4 4 3 3 4 4 3 3 3 3 3 3 3 3 3 3 4 4 4 3 3 3 3 3 2 5 4 7 10 3 15 6 5 4 6 3 16 4 8 8 4 3 4 5 5 8 4 2 4 3 3 8 3 3 3 4 7 4 3 3 3 3 3 4 3 4 4 5 6 6 8 10 12 6 16 12 6 12 4 3 3 4 3 3 2 3 3 4 3 3 3 5 5 3 3 3 3 3 3 3 4 4 4 4 5 7 8 4 3 6 4 3 4 4 3 3 3 3 6 3 6 5 3 2 2 4 5 0 100 7 6 7 3 3 7 4 3 3 6 2 3 4 25 4 3 2 3 3 3 2 2 3 2 2 2 3 2 3 2 3 2 2 2 2 2 2 2 2 2 3 3 3 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 3 2 3 3 2 2 3 2 2 2 2 3 2 2 3 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 3 2 2 3 2 2 2 3 3 3 3 2 2 3 3 3 3 2 3 2 3 3 3 3 3 3 3 3 3 4 6 8 17 68 21 14 6 7 7 10 10 11 6 4 4 3 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 81 81 dd 1H J 8 16 \| 77 76 q 1H J 13 \| 74 73 m 7H \| 70 69 m 2H \| 51 51 q 2H J 8 \| 45 45 dd 2H J 13 62 \| 40 40 t 1H J 63 \| 38 38 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ncn([C@@H]2CCCC[C@]2(C)O)c1-c1ccccc1	ir: 3 1 0 1 1 1 4 2 1 3 1 1 3 1 1 1 1 1 3 2 2 1 2 1 0 2 1 1 2 4 3 6 5 1 5 1 1 4 6 4 26 100 4 2 6 3 4 2 3 1 2 4 4 4 1 1 1 2 1 1 1 2 3 9 10 3 4 4 9 20 10 4 3 0 3 1 8 4 7 8 2 2 1 1 0 0 3 11 4 5 4 2 2 1 2 1 3 1 1 1 2 2 2 1 1 1 1 2 3 5 11 12 7 10 22 20 13 19 12 9 3 4 6 5 9 5 5 8 3 5 4 3 6 6 5 14 4 3 1 1 2 4 9 14 8 13 3 1 1 1 0 0 2 5 2 1 0 1 0 0 1 4 1 0 0 2 26 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 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 2 8 2 3 3 6 6 5 9 4 1 2 4 6 61 28 13 20 24 18 15 8 1 1 0 1 10 2 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 d 1H J 7 \| 76 76 m 2H \| 75 74 m 2H \| 74 73 m 1H \| 44 43 q 2H J 64 \| 40 39 m 1H \| 35 34 s 1H \| 22 21 dddd 1H J 44 58 70 127 \| 20 18 m 2H \| 18 17 m 2H \| 17 16 m 3H \| 14 13 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(COc2ccc(N)cc2)no1	ir: 33 23 24 13 27 9 12 15 5 8 6 7 14 6 10 9 3 3 4 3 5 5 7 2 4 5 14 4 3 3 6 7 6 7 3 1 2 3 7 3 3 4 2 8 2 3 3 2 3 2 4 4 5 17 22 22 10 12 4 7 4 4 3 4 3 1 4 6 21 27 3 6 4 13 7 2 6 5 4 8 7 3 2 1 9 2 2 3 9 8 6 3 2 1 1 2 2 4 5 2 2 2 0 2 2 4 41 6 0 1 2 1 1 2 2 2 1 2 1 2 1 1 2 2 1 4 8 3 1 1 2 1 1 1 2 1 1 2 4 4 6 3 3 1 1 2 2 13 5 4 4 15 16 22 11 93 76 31 6 14 2 0 3 65 3 3 2 2 1 2 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 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 3 1 2 2 2 3 2 2 2 3 3 1 6 10 25 85 42 21 13 5 2 1 2 2 3 1 2 2 1 1 2 2 2 19 100 5 3 3 1 1 2 3 2 2 16 37 38 38 23 4 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 2 2 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1; 1HNMR: 68 68 m 2H \| 66 65 m 2H \| 64 63 m 1H \| 51 50 d 2H J 7 \| 37 37 s 2H \| 24 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C)ON=Cc1cccc(Oc2nc(OC)cc(OC)n2)c1C(=O)OC	ir: 3 7 4 4 6 9 8 13 14 3 10 6 4 4 9 7 5 3 2 4 2 7 6 13 5 3 2 2 4 3 3 3 4 2 2 3 2 3 4 5 3 5 2 2 2 2 3 4 19 13 3 5 15 46 20 14 4 2 4 5 4 4 28 12 30 35 8 7 4 6 21 8 7 10 4 8 4 3 2 5 3 2 2 2 1 2 2 2 1 1 2 2 1 1 3 2 2 2 2 2 5 2 2 3 1 2 7 5 11 6 6 7 5 15 10 7 7 6 8 9 3 4 4 2 1 7 5 8 5 6 6 2 2 3 17 4 2 3 5 0 2 9 19 16 100 52 18 10 24 5 1 4 3 1 3 4 16 67 16 6 3 0 1 3 1 0 1 3 2 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 1 2 1 2 1 2 1 2 3 3 2 4 7 12 8 9 51 57 9 3 2 3 2 2 1 1 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 84 s 1H \| 74 73 m 2H \| 72 72 dd 1H J 19 74 \| 55 55 s 1H \| 49 48 q 1H J 62 \| 43 41 m 2H \| 40 40 s 5H \| 39 39 s 3H \| 15 14 d 3H J 64 \| 11 10 t 3H J 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C(=O)CCCCCOc1ccc2nc(-c3ccccc3)n(C3CCCCC3)c2c1	ir: 4 2 0 10 6 4 5 4 4 5 2 4 2 2 1 2 1 4 7 10 12 17 45 25 24 8 4 4 8 5 3 4 5 9 7 5 17 13 14 9 26 32 20 16 18 12 3 2 5 5 2 4 9 22 30 24 3 3 5 2 2 5 3 2 5 2 5 6 36 18 9 15 6 5 12 6 3 4 5 3 1 1 4 2 2 1 2 4 5 3 1 2 8 2 2 2 1 1 1 2 2 1 2 1 1 1 6 4 1 3 10 10 33 37 33 9 10 13 15 17 9 17 7 5 11 5 7 9 17 8 3 3 33 59 15 21 13 8 12 23 16 1 2 7 39 26 46 100 11 5 5 15 6 6 5 4 2 1 1 1 1 2 1 9 4 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 2 1 2 3 6 12 8 4 5 4 3 10 12 39 30 28 45 80 30 35 11 4 3 3 2 2 2 3 1 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 1 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; 1HNMR: 78 77 m 2H \| 77 76 d 1H J 77 \| 76 75 m 2H \| 75 75 m 1H \| 71 71 d 1H J 20 \| 70 70 dd 1H J 22 79 \| 46 46 p 1H J 42 \| 40 40 t 2H J 62 \| 29 29 s 5H \| 24 24 t 2H J 79 \| 21 20 ddt 2H J 43 67 123 \| 18 14 m 16H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CO/C=C/C1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C	ir: 6 15 14 11 21 8 9 4 7 24 42 16 9 7 2 4 6 2 1 3 6 13 8 12 18 12 51 38 84 46 4 7 4 4 2 1 1 2 2 13 1 0 1 1 3 0 1 1 2 1 1 2 1 1 1 3 2 5 5 2 4 5 10 5 3 3 6 5 3 2 8 9 7 3 4 3 2 6 20 9 4 1 2 2 1 1 1 2 2 5 5 5 3 5 4 3 4 4 6 4 3 5 5 16 6 13 11 7 4 10 39 5 3 13 5 6 2 4 12 7 10 14 6 7 1 5 5 8 2 46 100 42 20 11 6 12 9 6 3 3 2 5 6 17 23 8 32 8 7 27 13 84 8 4 1 1 1 2 2 1 0 1 1 1 2 1 1 1 1 0 0 1 1 0 0 1 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 0 0 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 1 1 1 0 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 1 1 1 2 4 2 2 2 5 5 4 3 2 2 6 13 10 14 51 20 6 9 11 1 1 2 1 1 1 1 1 2 1 2 1 2 1 1 1 1 0 1 2 6 6 53 50 28 5 3 0 0 2 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0; 1HNMR: 65 64 ddq 1H J 9 20 139 \| 52 52 ddt 1H J 9 62 141 \| 50 49 t 1H J 66 \| 45 44 qd 1H J 18 61 \| 37 36 m 1H \| 35 35 d 3H J 11 \| 34 34 m 1H \| 33 32 m 1H \| 30 30 m 1H \| 25 24 dddt 1H J 21 46 68 89 \| 21 21 m 1H \| 18 17 m 1H \| 15 14 s 8H \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(C)(CO)NC(=O)OCC1c2ccccc2-c2ccccc21	ir: 5 4 5 12 7 4 3 0 1 2 3 9 5 5 4 10 11 3 4 5 4 5 15 7 6 8 5 9 10 9 10 4 9 5 15 14 24 80 62 14 5 23 38 5 4 6 1 1 1 2 1 4 1 1 1 1 1 0 1 1 1 1 1 2 2 2 2 2 2 14 2 1 5 10 2 9 2 1 1 1 4 6 3 4 8 7 3 2 1 4 18 4 3 7 8 6 11 20 9 19 10 10 4 4 2 1 1 3 1 1 1 2 4 13 5 3 3 4 2 15 8 4 1 2 1 1 1 1 3 17 5 5 1 1 2 8 28 7 1 3 19 13 5 17 22 100 10 2 5 33 14 3 1 0 1 1 1 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 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 1 2 2 1 1 2 2 1 1 1 1 3 5 2 5 10 6 15 36 60 8 83 66 15 3 1 3 2 2 1 1 1 1 1 1 0 1 0 0 1 1 5 24 77 5 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: 78 77 m 2H \| 77 76 ddd 2H J 7 15 77 \| 76 75 td 2H J 12 77 \| 74 74 td 2H J 14 78 \| 62 62 s 1H \| 45 44 d 2H J 49 \| 42 42 m 1H \| 41 41 dd 1H J 63 116 \| 40 40 t 1H J 63 \| 39 38 dd 1H J 63 116 \| 37 37 s 3H \| 15 15 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](Oc1ccc(-c2ccc(S(C)(=O)=O)cc2)nc1)C1CCN(c2ncc(F)cn2)CC1	ir: 7 6 2 6 6 5 2 1 1 2 0 17 1 2 3 3 12 8 2 1 1 1 1 1 0 1 2 3 3 3 2 3 7 5 3 11 14 4 1 1 2 2 1 0 1 2 3 2 1 3 5 12 36 16 20 22 8 4 6 1 3 3 1 2 19 8 5 9 1 2 5 2 1 5 2 0 1 2 3 1 2 2 1 6 22 100 14 2 8 4 3 2 2 2 1 2 2 1 1 1 5 9 2 5 9 6 17 8 4 1 2 3 4 5 1 1 1 2 3 7 6 8 5 5 11 3 5 7 8 6 3 2 3 6 5 9 20 12 6 10 5 3 2 3 4 32 17 18 6 3 1 15 13 6 2 2 1 3 11 11 3 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 0 2 3 1 1 1 1 1 1 1 1 1 2 5 8 7 12 13 17 25 17 18 5 1 2 2 1 1 1 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 83 d 2H J 139 \| 82 81 d 1H J 19 \| 80 79 m 2H \| 79 78 m 3H \| 71 70 dd 1H J 18 86 \| 45 44 p 1H J 59 \| 39 38 m 2H \| 38 37 m 2H \| 33 32 s 2H \| 21 20 ddt 2H J 67 91 121 \| 20 18 m 3H \| 13 13 dd 3H J 14 59	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)C(N)=CCN2C(c1ccc(Cl)cc1)c1ccc(CN2CCNCC2)cc1	ir: 1 1 1 2 1 1 1 1 1 1 1 1 0 0 1 1 2 1 1 1 0 1 1 2 2 1 0 0 0 0 1 1 0 0 0 1 0 1 1 1 1 0 1 2 0 1 3 4 1 1 1 1 3 1 1 4 9 4 13 3 3 0 1 1 1 1 5 2 4 4 1 0 1 2 1 1 0 2 1 2 2 1 1 0 1 3 5 1 0 0 1 1 2 3 1 2 0 1 1 1 1 0 0 0 1 1 0 0 1 1 1 2 1 4 6 12 2 1 1 1 1 0 1 1 1 5 4 2 1 0 0 1 1 0 1 1 1 0 0 0 0 0 0 0 1 4 2 2 5 0 2 11 7 3 2 3 1 2 4 100 1 3 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 2 2 2 8 16 6 3 1 1 0 1 0 0 0 0 0 0 0 0 0 0 1 5 8 6 2 1 0 0 0 0 0 0 1 3 30 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 9H \| 70 69 dd 1H J 9 18 \| 68 68 m 2H \| 56 56 t 1H J 8 \| 52 51 m 3H \| 43 42 dd 1H J 30 146 \| 42 41 dd 1H J 31 145 \| 38 38 s 2H \| 37 37 d 2H J 9 \| 28 27 m 8H \| 27 26 p 1H J 32	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C(=O)N(c2ccnc(C(F)(F)F)c2)C2=C(C(=O)CCC2)C1c1ccc(C#N)cc1	ir: 4 4 3 5 4 6 5 2 2 20 3 5 5 2 2 8 4 9 3 3 3 11 15 3 3 35 7 4 3 16 12 5 12 2 8 15 19 12 7 3 4 4 51 6 60 11 9 6 6 5 4 53 12 7 10 3 37 5 32 13 4 3 3 4 16 6 22 42 11 11 13 3 4 11 4 22 5 4 10 4 3 3 8 6 11 4 5 5 3 3 4 5 4 18 10 14 3 17 94 8 8 46 45 6 5 3 2 4 4 23 9 7 11 6 4 4 14 13 4 13 6 8 3 14 9 3 5 9 14 4 6 9 3 3 13 4 3 8 17 23 4 4 7 5 5 4 5 15 21 6 3 1 27 78 7 3 4 100 4 4 7 27 74 11 3 0 2 4 3 1 2 4 2 1 2 3 2 1 2 3 2 1 12 2 2 1 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 4 5 5 6 4 6 5 5 8 10 21 12 31 69 50 16 9 4 5 5 3 2 3 5 4 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 85 84 d 1H J 41 \| 82 81 m 1H \| 77 76 m 2H \| 74 73 m 3H \| 55 54 tt 1H J 9 16 \| 31 31 d 3H J 15 \| 30 28 m 2H \| 27 26 m 2H \| 18 17 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(OCc2cc(C(=O)O)no2)cc1OC	ir: 1 1 1 1 1 1 1 1 1 1 1 3 3 2 2 2 3 14 3 3 0 8 33 100 23 7 4 7 1 1 1 1 1 0 1 1 2 1 2 2 4 2 0 1 1 0 1 1 1 5 2 2 3 8 6 6 2 2 1 1 2 2 5 4 5 3 8 12 10 9 15 7 9 13 9 2 2 3 21 11 16 7 2 1 1 1 1 1 2 3 2 5 2 2 6 2 1 1 0 1 1 1 5 6 0 1 1 1 2 1 1 1 1 9 7 4 1 1 0 1 2 3 1 5 2 2 2 2 2 1 1 0 0 0 1 0 0 1 1 1 6 1 1 7 3 3 2 39 2 5 5 1 1 4 5 1 2 7 3 1 0 1 4 1 1 0 0 1 0 0 0 0 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 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 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 5 4 5 7 61 16 30 9 1 3 2 3 10 70 55 2 2 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 69 68 m 2H \| 67 66 dd 1H J 23 85 \| 65 65 d 1H J 23 \| 54 54 d 2H J 9 \| 39 38 d 6H J 29	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)=CCSc1cc(C)ccc1C	ir: 1 1 2 3 5 5 3 3 3 1 1 2 2 1 11 13 0 3 2 2 2 1 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 3 6 2 3 1 1 4 4 3 4 3 4 2 56 7 4 3 1 1 2 1 2 6 7 4 6 9 31 22 7 23 6 15 25 21 9 9 4 3 3 2 3 3 3 2 2 1 3 2 3 2 3 9 70 49 13 5 1 15 28 3 3 1 2 3 6 7 4 3 5 2 1 3 8 4 3 7 10 9 6 8 10 8 7 9 2 6 8 2 2 5 1 1 1 2 2 5 5 2 2 1 14 7 1 0 0 2 2 2 23 19 7 11 4 11 3 2 5 10 9 3 6 5 1 1 1 1 1 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 4 4 3 5 3 3 6 9 3 3 3 6 6 10 46 30 60 55 100 53 19 9 4 4 2 4 3 1 1 2 1 0 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 70 70 dq 1H J 11 83 \| 70 69 dt 1H J 8 84 \| 68 68 t 1H J 9 \| 56 55 tp 1H J 17 50 \| 36 35 ddq 2H J 11 20 51 \| 24 23 m 6H \| 17 17 tq 6H J 11 22	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)OC(=O)CC(=O)C(C)C	ir: 1 3 6 6 1 3 2 3 7 7 11 11 4 5 12 9 9 4 16 9 12 25 19 4 2 1 2 0 0 3 5 2 1 3 1 1 1 2 1 1 3 2 3 2 1 1 1 1 1 3 3 3 3 4 3 2 4 2 1 2 1 2 2 2 1 1 1 1 1 3 1 1 3 7 10 10 4 12 7 3 4 14 5 1 2 1 1 1 2 2 1 3 3 7 3 4 3 4 0 3 9 6 2 2 2 2 7 16 9 3 6 4 6 3 1 4 4 5 5 12 16 25 30 13 11 8 7 10 13 31 32 15 3 4 2 4 2 3 4 3 8 10 38 67 99 100 52 18 7 2 1 2 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 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 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 1 0 1 1 0 1 1 1 2 1 2 4 3 2 3 6 10 8 9 4 6 6 8 10 21 19 16 6 3 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 51 50 hept 1H J 59 \| 35 34 s 2H \| 27 26 hept 1H J 68 \| 13 12 d 6H J 60 \| 11 10 d 6H J 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2ncnc(Oc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c(Cl)c3)c2[nH]1	ir: 1 10 2 2 6 4 1 1 1 1 1 2 2 4 5 4 1 1 3 1 1 1 1 2 1 2 4 6 2 2 9 8 3 1 2 4 3 0 31 16 4 5 4 22 8 11 15 45 40 5 5 2 1 3 7 20 7 7 2 2 1 2 1 1 3 3 5 5 13 9 2 2 3 7 1 1 1 1 1 1 2 3 4 3 5 1 1 1 1 1 2 5 4 4 9 3 8 7 4 6 6 3 39 5 5 15 2 6 1 1 1 1 1 7 6 3 4 4 9 2 2 1 2 7 9 4 4 8 17 2 1 1 1 1 1 3 2 2 3 2 3 4 10 2 2 5 2 2 13 6 19 25 12 9 37 9 100 15 33 3 2 2 9 2 2 1 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 2 3 6 10 19 30 6 8 5 2 1 1 2 2 3 2 2 2 2 1 1 2 2 2 2 4 5 6 52 21 17 21 4 3 2 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 87 s 1H \| 85 85 s 1H \| 83 82 s 1H \| 82 82 s 1H \| 79 79 t 1H J 21 \| 76 76 d 1H J 21 \| 76 75 d 1H J 86 \| 75 74 m 2H \| 74 73 dd 1H J 76 103 \| 72 72 ddd 1H J 13 23 102 \| 66 66 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.
COCCn1cc(C(=O)C(F)(F)F)c2c(C(=O)O)cccc21	ir: 3 1 1 3 3 1 1 2 4 1 1 2 2 5 9 11 5 6 18 21 9 5 4 4 5 1 3 2 2 2 1 3 2 1 1 4 2 1 2 3 6 18 7 6 2 3 8 13 3 1 2 1 1 3 2 2 1 0 1 3 1 0 1 2 1 3 3 4 3 2 2 3 3 4 5 4 3 7 9 8 2 10 7 2 3 3 3 3 2 1 2 2 1 1 2 2 6 3 6 5 3 2 3 3 2 2 4 1 0 1 2 1 0 1 2 2 2 6 6 7 1 4 2 1 0 1 2 1 0 1 2 1 1 1 1 1 0 3 11 31 3 4 3 7 3 2 4 1 1 1 1 2 1 2 1 0 1 2 2 1 5 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 2 3 1 3 6 8 4 13 5 2 1 2 2 9 100 12 4 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 80 79 dd 1H J 11 66 \| 79 79 dd 1H J 12 76 \| 77 77 t 1H J 9 \| 74 73 dd 1H J 67 76 \| 42 42 td 2H J 9 38 \| 37 36 t 2H J 38 \| 35 35 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc(Br)cc(CC)c1	ir: 5 3 0 3 5 2 0 3 5 2 1 4 5 2 1 3 4 2 3 4 4 2 1 4 4 2 2 4 4 3 3 18 10 2 2 5 4 1 2 5 4 1 2 5 4 4 7 6 4 1 3 5 3 2 3 6 3 0 3 5 3 0 8 10 5 7 39 12 9 6 6 6 7 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 4 13 17 13 48 100 12 9 2 3 7 9 3 2 5 4 0 2 5 3 3 5 7 5 24 8 14 11 12 11 14 7 6 7 10 20 20 11 16 27 13 7 4 3 2 5 5 3 1 4 4 2 2 4 4 2 2 4 4 1 2 4 4 2 2 4 4 1 2 6 24 11 12 5 3 1 3 4 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 5 3 1 3 4 3 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 4 4 2 2 4 3 2 2 4 3 2 3 4 4 9 6 8 4 3 4 4 6 6 6 11 9 7 7 26 22 29 70 78 16 14 8 6 3 2 4 6 3 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 3 4 3 1; 1HNMR: 73 72 d 2H J 22 \| 70 69 tq 1H J 9 19 \| 27 26 qt 4H J 9 72 \| 13 12 t 6H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(/C=C\C(=O)OC2CCC(C)(C(=O)O)CC2)ccc1O	ir: 3 7 2 6 14 6 16 29 14 17 12 8 11 4 6 6 2 2 4 5 11 10 24 29 14 4 7 3 4 2 3 7 2 2 3 3 5 3 3 2 2 3 1 3 4 4 4 3 2 1 2 3 3 6 21 2 5 4 3 2 2 2 3 2 3 5 3 5 2 2 3 4 2 4 3 4 7 8 35 47 33 16 5 5 3 6 3 7 2 2 3 5 6 10 5 6 3 20 3 1 2 1 1 5 2 2 3 4 1 3 3 17 17 3 2 2 1 2 3 3 3 3 2 2 3 2 4 2 1 3 4 3 2 3 1 2 4 5 2 1 2 4 7 9 17 8 21 6 3 4 2 1 2 20 2 1 3 2 3 1 1 1 1 1 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 1 1 2 1 1 1 2 1 3 2 2 1 1 2 2 4 15 7 8 7 5 5 4 1 3 4 8 11 100 100 16 11 2 0 2 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 75 s 1H \| 72 71 m 1H \| 71 71 d 1H J 18 \| 71 70 m 1H \| 69 68 d 1H J 82 \| 58 58 d 1H J 125 \| 48 47 p 1H J 46 \| 39 38 s 2H \| 20 19 m 5H \| 18 16 m 5H \| 12 12 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)COc1ccc(S(=O)(=O)Cl)cc1C(=O)O	ir: 4 4 0 4 5 4 6 15 8 4 5 11 9 8 10 6 11 8 4 11 26 81 86 40 7 8 6 5 2 3 1 3 2 1 2 4 3 2 4 5 3 3 2 6 4 2 3 4 2 2 3 5 4 1 8 7 6 4 2 4 2 1 3 4 13 2 9 4 3 3 2 3 2 1 5 4 13 28 56 45 30 21 12 50 76 10 10 5 3 1 3 5 7 3 5 4 3 3 5 4 4 3 3 3 1 2 3 2 0 4 3 2 0 2 3 2 1 3 4 4 2 3 8 20 4 6 21 3 2 3 3 2 1 2 3 3 8 2 3 2 3 5 6 11 11 7 9 22 6 5 3 13 10 5 6 8 1 3 2 0 1 4 4 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 3 1 0 1 3 2 1 2 3 2 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 4 5 3 10 18 8 4 3 2 2 3 2 3 24 100 7 7 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 0 1 2 2 0 1 2 1 0 1 3 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0; 1HNMR: 84 84 d 1H J 22 \| 80 79 dd 1H J 21 98 \| 72 71 d 1H J 97 \| 46 46 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(COc2ncc(F)c(NS(C)(=O)=O)n2)cc1	ir: 1 2 3 17 2 1 2 2 3 5 3 2 1 1 0 1 2 2 1 1 1 1 1 1 1 1 3 2 2 1 1 1 1 1 1 1 1 2 2 2 3 2 1 2 1 4 9 4 5 6 4 5 17 16 28 7 16 7 7 5 4 6 3 1 1 1 2 1 3 15 10 3 2 2 1 1 1 1 2 1 1 1 1 2 2 5 9 22 15 3 1 1 3 3 5 3 2 2 1 2 6 7 13 7 3 1 1 1 1 2 4 17 11 3 2 1 1 2 2 4 8 6 6 3 4 2 2 1 1 1 1 5 16 5 2 1 1 1 1 1 1 1 1 5 3 1 2 7 81 100 3 3 3 0 1 2 6 4 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 3 0 1 1 1 0 1 1 1 0 1 2 1 9 6 7 9 7 3 3 2 1 2 2 1 0 1 1 0 0 1 1 0 0 1 2 0 0 1 2 1 2 6 38 63 6 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 99 98 d 1H J 44 \| 82 81 d 1H J 141 \| 73 72 dt 2H J 8 79 \| 72 72 m 2H \| 55 54 t 2H J 8 \| 30 30 s 3H \| 23 23 d 3H J 9	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cccc(/C=C/CO)c1	ir: 6 3 1 5 6 4 2 4 8 4 3 4 5 2 1 4 4 2 1 4 4 2 1 3 4 2 2 4 4 3 3 5 10 13 20 24 6 3 2 5 3 1 2 4 4 7 5 8 14 2 4 6 4 1 4 6 3 2 3 5 4 3 8 6 9 4 5 8 7 7 8 6 4 8 12 25 13 19 9 9 6 9 9 9 20 42 22 20 18 15 20 24 6 4 5 4 3 3 5 6 4 17 5 4 2 4 6 3 1 3 5 3 0 3 5 4 3 6 5 5 3 4 6 3 5 9 7 4 4 7 7 8 5 8 4 3 4 6 5 10 9 7 4 2 2 4 3 2 2 4 3 5 5 8 5 14 4 4 3 1 2 5 3 1 2 5 3 1 2 5 2 0 2 4 2 0 3 5 2 0 3 7 2 25 3 3 2 2 3 4 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 4 3 2 2 4 3 2 4 5 3 2 4 6 4 3 4 8 16 11 18 33 100 7 8 6 6 4 9 11 23 9 5 5 4 2 3 4 3 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 77 76 ddd 1H J 11 21 60 \| 76 75 m 2H \| 75 74 dd 1H J 60 70 \| 66 65 dt 1H J 13 155 \| 63 62 dt 1H J 40 156 \| 43 42 ddd 2H J 13 40 55 \| 34 33 t 1H J 56	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1ncnc2cn(CCOC(=O)c3ccccc3)nc12	ir: 11 3 2 2 0 4 11 3 3 2 2 5 12 12 4 2 1 20 10 17 40 11 2 10 2 1 1 1 3 5 30 16 4 11 2 23 3 1 3 9 22 82 51 100 8 10 3 2 1 1 1 4 4 1 1 0 1 1 2 5 1 3 1 19 6 2 1 1 7 23 4 2 1 1 1 1 1 1 6 2 5 3 11 3 1 1 1 0 1 1 0 1 2 7 18 15 21 7 5 3 0 1 2 1 5 11 2 3 1 4 4 8 8 12 16 20 60 44 6 5 3 6 11 23 14 3 2 2 8 5 8 5 5 2 16 2 2 1 1 2 4 3 68 17 14 11 23 10 11 2 1 3 3 4 17 60 42 3 1 1 4 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 0 0 1 1 1 0 0 1 1 1 1 0 1 0 1 1 1 1 0 1 1 0 1 1 0 1 1 1 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 0 1 1 0 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 0 1 1 1 1 1 1 1 1 1 2 1 2 3 1 3 3 2 2 4 2 3 3 8 13 86 42 30 52 42 7 26 8 3 2 3 3 1 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 0 0 1 1 1 1 0 0 1 0 0 0 1 0 1 1 0 1 1 0 0 0 1 1 1 0 0 1 1 1 1 1 0 1 1 1 1 1 0 0 0 1 0 1 1 0 1 0 1 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 86 85 s 1H \| 81 80 m 2H \| 77 77 d 1H J 9 \| 76 75 m 1H \| 75 74 m 2H \| 46 45 t 2H J 37 \| 45 44 td 2H J 8 36 \| 27 27 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@H](Cc1ccc(C#N)cc1)c1nc2ccccc2[nH]1	ir: 7 8 9 5 6 4 2 4 3 5 5 6 3 2 0 5 3 3 4 9 3 6 8 3 10 44 15 16 13 13 46 27 8 24 16 11 25 8 4 6 3 4 17 33 3 2 5 3 2 1 1 2 2 11 3 2 22 6 9 3 2 2 2 2 1 1 1 2 4 11 4 4 2 2 3 5 1 1 3 1 1 1 2 3 2 7 2 3 1 1 2 1 1 1 3 5 13 5 5 4 2 1 2 2 1 1 6 9 8 8 7 4 2 3 4 3 2 5 6 6 8 3 2 2 1 6 3 2 3 8 5 6 2 13 57 21 2 3 5 2 1 2 6 19 45 55 16 7 8 100 26 4 11 8 1 6 3 1 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 2 2 2 2 3 2 7 3 12 18 9 38 51 32 4 4 3 2 1 2 3 4 2 3 2 2 1 1 2 1 1 2 3 3 1 6 10 81 29 35 19 4 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 75 m 4H \| 75 74 m 1H \| 74 73 dp 2H J 9 82 \| 72 71 m 2H \| 64 64 d 1H J 68 \| 54 53 dt 1H J 54 68 \| 33 32 ddt 1H J 9 55 151 \| 31 30 ddt 1H J 9 53 150 \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CNC(=O)c1c(O)c(C(=O)NCC2CC2)c(O)n(Cc2ccc(Cl)cc2Cl)c1=O	ir: 33 20 24 22 17 23 26 22 21 22 26 22 29 21 21 20 19 23 24 53 35 36 26 29 21 18 19 17 19 19 29 35 26 18 18 17 18 21 20 18 18 20 20 22 29 23 22 19 18 19 18 22 20 25 42 23 23 68 100 35 18 22 17 17 16 18 17 20 18 18 17 19 20 20 18 21 50 50 49 23 20 20 18 20 31 32 21 20 18 22 31 19 19 20 17 17 18 18 25 21 22 29 21 18 22 17 17 17 20 17 28 34 22 20 17 18 19 17 17 21 18 21 17 18 34 24 17 18 19 25 16 18 18 21 20 18 18 16 35 31 21 17 20 30 21 19 25 20 20 19 58 52 25 16 15 19 18 13 51 22 18 7 23 0 15 22 17 13 16 18 16 15 16 17 16 15 16 17 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 17 16 16 16 16 16 16 16 16 16 16 15 16 16 16 15 16 16 16 16 16 16 16 15 16 16 16 15 16 16 16 15 16 17 16 16 16 16 16 16 16 16 16 15 16 17 16 16 16 16 16 15 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 18 17 17 17 17 16 16 20 19 18 20 20 22 22 34 60 30 58 23 20 17 20 44 56 33 28 24 18 17 16 17 16 17 17 16 17 17 19 20 25 35 22 20 22 17 16 18 18 17 16 16 16 16 15 16 16 16 16 16 16 16 15 16 16 16 15 16 16 16 15 16 16 16 15 16 16 16 15 16 16 16 15 16 16 16 15 16 16 16 16 16 16 16 15 16 16 15 15 16 16 15 16 16 16 15 16 16 16 15 16 16 16 15 16 16 16 15 16 16 16 15 16 16 16 15 16 16; 1HNMR: 91 90 t 1H J 70 \| 85 84 t 1H J 59 \| 74 73 m 2H \| 73 72 dd 1H J 20 84 \| 53 52 d 2H J 7 \| 39 39 d 2H J 71 \| 33 32 dd 2H J 40 59 \| 11 10 pt 1H J 40 56 \| 5 4 m 2H \| 3 2 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)OC(=O)/C=C\n1cnc(-c2cccc(Cl)c2)n1	ir: 8 10 14 12 8 10 14 10 10 13 14 10 7 14 12 9 26 20 21 17 11 12 21 16 12 17 23 9 17 16 13 33 11 11 11 7 8 10 11 12 10 11 20 10 11 25 80 52 23 26 14 14 15 13 10 6 9 12 8 5 8 12 9 5 10 12 13 11 38 14 8 8 16 12 9 11 14 13 9 15 14 30 53 10 14 11 9 32 12 9 8 9 11 12 24 14 12 10 8 16 77 9 5 7 12 9 7 13 20 27 12 10 11 21 20 13 13 9 15 13 12 9 6 10 11 9 9 11 14 12 26 21 20 17 9 12 88 60 9 13 52 42 53 30 12 7 9 10 9 6 7 13 13 6 8 17 12 0 58 10 8 10 8 10 9 6 8 10 8 6 8 10 8 6 8 10 8 6 8 10 7 6 8 10 7 6 8 9 7 6 9 9 7 6 9 9 7 7 9 9 7 7 9 9 7 7 10 9 6 7 9 8 6 7 10 8 6 7 10 8 6 8 10 8 6 8 10 8 5 8 10 8 6 8 10 7 6 8 10 7 6 8 9 7 6 9 9 7 6 9 9 7 6 9 9 7 7 9 9 7 7 9 9 7 7 9 9 7 8 11 11 8 8 10 9 7 8 10 9 7 9 12 13 14 24 26 47 100 31 17 19 9 10 12 10 8 9 10 8 7 9 10 8 7 9 9 7 7 9 9 7 7 9 9 7 7 9 9 7 7 9 9 7 7 9 8 6 7 9 8 6 8 9 8 6 8 10 8 6 8 10 8 6 8 10 8 6 8 10 8 6 8 9 7 6 8 9 7 6 8 9 7 7 9 9 7 7 9 9 7 7 9 9 7 7 9 9 7 7 9 8 7 7 9 8 6 7 9 8 6 8 9 8 6 8 9 8 6 8 10; 1HNMR: 85 85 s 1H \| 79 79 m 2H \| 78 78 t 1H J 22 \| 74 74 dd 1H J 79 95 \| 74 73 ddd 1H J 13 22 81 \| 60 60 d 1H J 92 \| 51 50 hept 1H J 55 \| 13 13 d 6H J 55	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccc(O[C@H]2CCOC2)cc1)c1cc(I)ccc1Cl	ir: 1 2 2 2 2 3 3 2 2 9 8 4 6 4 3 0 1 2 3 3 1 3 6 3 2 3 17 2 4 11 6 2 2 3 3 3 2 3 8 63 19 8 5 4 2 2 1 3 3 4 6 6 5 30 34 2 23 9 4 3 3 4 2 6 2 3 1 5 6 7 3 3 6 6 4 14 7 22 3 1 2 2 1 1 1 2 1 1 11 4 2 17 8 5 1 0 2 2 1 2 1 1 1 3 2 4 3 7 5 5 3 2 2 1 0 2 17 4 1 3 7 6 39 6 4 18 16 2 1 1 1 1 2 2 7 8 3 2 1 4 12 7 7 100 9 2 3 6 12 22 13 41 9 4 2 2 2 1 1 7 1 1 1 2 1 1 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 2 2 3 2 3 2 2 1 3 4 3 4 8 18 55 28 50 23 8 1 3 2 2 1 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 80 79 d 1H J 22 \| 79 78 m 2H \| 77 77 dd 1H J 21 78 \| 74 74 d 1H J 78 \| 70 70 m 2H \| 52 51 dtt 1H J 16 33 51 \| 41 40 m 1H \| 39 38 m 3H \| 24 23 ddt 1H J 34 49 139 \| 22 21 dtd 1H J 29 50 139	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)C1=CC(C)(C)Oc2ccc(C(F)(F)F)cc21	ir: 17 13 6 19 20 10 3 9 16 8 6 15 17 9 8 12 28 11 11 17 30 22 8 15 14 12 11 13 13 4 7 16 14 15 31 24 48 33 9 28 22 29 13 37 29 1 7 17 10 0 7 18 9 6 55 14 10 4 10 16 7 4 15 19 10 6 19 26 19 9 32 15 8 5 11 17 6 4 12 12 5 4 11 12 6 4 12 12 7 11 18 19 5 12 30 11 5 8 31 42 8 9 13 10 3 15 33 10 6 8 17 11 30 83 26 15 21 14 19 12 16 15 29 21 10 15 22 12 25 33 22 11 13 14 12 8 6 12 12 9 9 16 23 86 100 57 81 16 9 17 32 12 11 14 14 15 14 16 10 2 6 15 9 1 7 15 9 1 7 15 8 1 8 15 8 1 8 14 7 2 9 14 7 2 9 13 6 3 10 13 5 4 10 12 5 4 11 11 5 4 11 11 4 5 11 10 4 5 12 10 3 6 12 9 3 6 13 9 2 7 13 8 2 7 14 8 2 8 14 8 2 8 14 7 2 9 13 7 3 9 12 7 3 10 12 6 4 10 12 6 4 10 11 5 5 10 11 5 5 11 10 4 5 11 10 4 6 12 9 5 8 16 9 4 7 13 9 4 8 13 9 7 10 27 30 31 35 63 33 22 27 19 11 3 11 14 7 3 10 13 7 5 11 15 8 10 14 21 10 11 51 83 27 40 22 12 7 7 12 11 5 6 12 10 4 6 11 9 4 7 12 9 4 7 12 9 3 7 13 8 3 8 13 8 3 8 13 7 3 8 12 7 4 9 12 7 4 9 11 6 4 9 11 6 5 10 11 6 5 10 10 5 5 10 10 5 6 11 9 5 6 11 9 4 7 11 9 4 7 11 8 4 7 12 8 3 8 12 8 3; 1HNMR: 78 78 dt 1H J 13 25 \| 77 76 ddt 1H J 12 20 66 \| 75 75 q 1H J 49 \| 72 72 d 1H J 66 \| 66 65 hept 1H J 10 \| 29 28 d 3H J 51 \| 15 15 d 5H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(S(=O)(=O)n2cc(C3CCOCC3)c3ccccc32)cc1	ir: 8 9 3 2 2 2 1 2 1 2 3 6 6 11 10 7 6 13 11 24 30 27 100 18 12 4 3 5 2 3 3 3 1 2 2 1 1 1 1 1 2 3 15 27 1 2 2 0 1 3 1 1 2 5 5 9 5 2 1 1 6 1 1 1 4 10 9 11 6 5 6 3 5 4 9 4 6 12 27 33 8 6 2 4 76 71 17 13 2 3 1 1 1 1 1 1 2 3 0 2 7 12 4 1 2 2 1 2 2 1 1 1 3 3 2 12 5 2 1 1 4 2 1 2 5 7 4 4 1 1 0 1 1 1 0 1 1 1 2 3 2 6 17 7 8 3 3 2 4 2 2 3 2 0 2 2 1 0 0 1 1 2 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 1 1 2 1 3 5 7 9 54 23 7 6 4 2 2 1 1 1 4 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 80 80 dt 4H J 16 81 \| 79 79 m 3H \| 74 73 ddd 1H J 13 66 77 \| 73 72 td 1H J 14 73 \| 37 36 ddd 2H J 33 60 110 \| 36 35 ddd 2H J 34 60 112 \| 33 33 m 1H \| 24 23 dtd 2H J 34 58 137 \| 21 20 dtd 2H J 34 58 137	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccccc1)c1ccc[nH]c1=O	ir: 7 7 6 7 7 6 6 6 7 9 7 6 6 10 8 6 7 8 8 6 6 7 8 6 6 6 6 6 9 19 12 11 7 6 7 8 6 8 11 7 27 9 13 8 7 9 7 14 71 0 6 11 7 6 6 6 16 15 9 11 7 4 6 8 6 5 7 11 17 12 8 8 7 6 7 7 8 6 7 8 8 7 7 7 6 5 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 6 7 8 9 10 8 6 7 6 5 6 7 7 6 9 14 9 6 7 8 7 6 7 7 6 6 6 7 6 7 7 26 23 6 7 7 12 12 7 9 11 7 10 9 9 67 100 31 39 14 8 15 9 13 10 6 7 7 11 30 24 7 8 7 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 6 6 7 6 6 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 5 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 6 6 6 6 6 6 7 7 7 9 21 12 16 15 10 9 7 6 8 7 6 6 8 9 7 6 8 7 6 6 8 8 7 7 30 33 52 37 14 12 13 14 8 7 6 6 7 7 6 6 7 7 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 6 6 6 6 6 6 6 7 6 6 6 7 6 6; 1HNMR: 84 83 dd 1H J 14 74 \| 80 79 td 1H J 13 67 \| 77 76 m 2H \| 74 73 m 2H \| 72 71 tt 1H J 13 67 \| 67 67 t 1H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cc2[nH]c(=O)oc2cc1N	ir: 3 3 10 17 18 5 2 3 6 8 16 34 24 13 8 3 1 3 3 2 2 2 3 2 2 3 3 1 2 4 3 2 2 3 3 2 2 2 2 1 2 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 3 2 2 2 2 1 1 2 3 5 8 4 4 2 2 2 5 4 2 2 2 1 1 2 2 7 1 2 2 1 4 2 1 1 1 1 1 1 1 1 1 1 13 3 1 1 1 2 1 1 2 2 1 1 1 20 2 1 1 2 3 1 1 1 1 4 2 2 1 1 1 2 1 1 1 2 7 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 5 7 6 9 7 2 2 3 14 92 7 2 2 2 2 3 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 1 2 7 3 2 1 2 2 2 2 1 2 1 1 2 1 1 2 2 1 9 24 0 4 3 6 11 4 2 5 5 8 100 39 5 3 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 93 93 s 1H \| 67 67 s 1H \| 67 66 s 1H \| 48 48 s 2H \| 43 43 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CC1CCCN(C(=O)c2ccc(C3CCCCC3)cc2)c2ccc(Cl)cc21	ir: 20 10 9 3 1 2 3 3 2 5 3 2 1 4 4 5 3 12 3 7 0 23 4 2 4 4 2 2 2 1 19 2 2 4 6 2 3 4 4 5 5 38 12 7 3 7 4 7 4 4 5 6 14 36 93 24 16 14 6 4 4 3 4 14 6 5 4 9 32 20 3 2 2 6 15 5 3 3 3 1 2 2 2 2 3 3 2 4 3 4 1 1 5 3 4 2 6 6 8 4 2 9 8 9 13 9 4 2 9 19 16 16 26 10 5 7 12 14 11 9 16 28 7 10 13 8 13 26 13 18 6 9 7 6 4 5 3 2 4 2 2 3 16 37 27 63 30 8 6 42 6 17 16 19 2 6 4 0 1 2 1 2 4 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 2 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 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 1 1 1 0 1 1 1 1 1 1 1 1 1 3 3 1 2 5 8 6 13 4 3 4 4 6 6 21 45 25 26 100 26 17 4 2 3 3 7 2 1 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 \| 73 72 m 5H \| 42 41 q 2H J 64 \| 39 37 m 2H \| 35 34 m 1H \| 29 28 m 1H \| 27 26 m 2H \| 21 20 m 1H \| 20 17 m 5H \| 17 14 m 9H \| 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.
CCOC(=O)COc1ccc(Cl)cc1-c1ccc(S(=O)(=O)CC)cc1Cl	ir: 2 48 10 13 19 11 39 15 10 5 3 10 27 22 10 3 2 2 4 5 9 21 1 3 5 0 17 5 3 2 2 9 2 3 5 9 4 11 21 5 4 25 5 3 4 2 3 3 5 4 7 4 7 69 8 28 27 10 6 18 4 2 5 15 23 23 13 8 18 9 5 4 4 10 4 8 6 6 6 3 5 19 40 43 83 14 54 10 5 10 25 10 4 7 5 4 6 13 16 21 8 5 3 6 5 3 6 8 18 5 5 2 3 6 6 7 4 8 11 21 20 18 36 21 12 12 10 6 8 13 3 2 3 2 1 6 4 2 9 5 8 8 4 17 39 27 13 12 25 32 4 4 8 4 2 1 2 2 2 4 1 5 2 1 1 2 1 1 1 1 1 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 3 3 2 2 4 13 6 2 2 4 3 6 7 60 37 25 100 78 35 28 16 8 4 2 3 4 4 2 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 t 1H J 11 \| 78 78 d 2H J 12 \| 76 75 d 1H J 26 \| 73 73 dd 1H J 25 89 \| 70 69 d 1H J 89 \| 47 47 s 2H \| 43 42 q 2H J 66 \| 34 33 q 2H J 92 \| 13 12 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)NC(=O)NNC=NC(=O)c1nc(F)c(N)nc1N	ir: 2 2 1 2 1 1 4 2 1 1 2 4 5 5 5 3 6 15 8 19 7 8 6 5 3 6 3 6 3 6 2 2 4 4 2 1 2 5 2 5 9 19 9 7 6 4 4 3 3 3 2 2 7 3 3 1 4 1 2 1 1 0 1 1 0 1 0 0 1 1 1 1 1 1 2 3 3 1 2 1 1 2 4 3 4 1 1 0 1 2 1 1 1 7 1 1 1 0 0 0 1 1 2 16 12 1 1 1 1 1 0 1 1 2 17 1 1 1 2 1 1 1 2 1 3 1 1 3 5 4 15 8 1 1 1 0 0 1 2 1 15 2 1 5 2 1 2 18 3 4 9 4 37 4 9 5 12 21 5 2 2 1 1 1 0 1 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 0 1 1 0 1 1 1 2 3 1 1 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 1 0 3 11 11 2 2 2 7 20 7 12 2 1 4 9 100 20 2 1 2 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 53 \| 74 74 d 1H J 59 \| 72 72 s 2H \| 60 59 d 2H J 42 \| 57 57 d 1H J 81 \| 40 39 dp 1H J 55 81 \| 12 11 d 7H J 56	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

Subsets and Splits

No community queries yet

The top public SQL queries from the community will appear here once available.