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
CC(C)(C)OC(=O)N1CCOC(c2ccc(Cl)c(Cl)c2)C(O)C1	ir: 2 4 6 5 7 8 8 7 7 8 6 11 9 7 7 6 5 4 4 3 4 4 2 4 4 6 2 3 2 1 2 3 4 4 4 3 1 2 2 2 2 1 4 3 2 3 1 3 2 5 3 10 4 3 12 4 2 1 2 1 4 3 2 1 2 2 8 13 8 5 4 4 3 5 3 4 1 2 3 6 5 5 1 3 6 23 30 11 63 16 3 8 8 4 3 4 2 7 6 3 2 1 2 4 3 3 3 2 2 1 2 2 2 3 3 3 1 4 3 7 17 6 3 18 15 3 5 8 8 8 7 4 3 7 11 10 3 11 4 1 0 1 1 1 1 2 2 5 29 4 4 20 1 14 2 1 1 1 1 0 1 3 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 2 2 2 1 1 1 1 2 1 2 2 4 5 2 3 2 1 1 2 5 2 2 2 3 2 4 13 23 8 10 48 12 5 7 3 3 4 11 100 78 17 4 2 1 3 1 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 74 74 m 2H \| 72 71 ddd 1H J 7 22 81 \| 46 45 m 1H \| 45 44 m 1H \| 40 39 dt 1H J 66 106 \| 39 38 m 2H \| 38 37 dd 1H J 58 122 \| 36 35 m 3H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C(=NCc1ccccc1)c1cc2cncnc2s1	ir: 5 8 2 4 11 5 6 4 7 5 3 5 5 9 10 14 23 8 7 6 5 6 4 5 5 6 5 4 6 6 13 26 13 31 45 35 67 68 31 19 89 10 4 11 9 0 5 8 5 3 15 13 6 1 4 7 3 1 3 5 3 1 4 6 5 2 5 8 36 10 19 16 7 5 6 8 4 3 12 4 3 2 4 7 2 5 17 7 46 29 10 7 3 3 5 5 3 7 7 4 12 26 9 10 8 15 6 6 7 19 12 38 19 13 7 4 2 4 8 6 2 5 8 7 22 5 9 4 4 5 6 4 3 4 10 8 4 4 4 6 10 20 100 28 27 84 21 4 4 4 5 11 7 29 13 8 6 5 4 3 4 71 7 1 3 5 3 1 3 5 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 4 4 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 2 4 5 4 2 3 4 3 4 6 13 11 9 23 70 38 20 14 12 8 3 4 4 3 2 3 4 2 2 3 4 2 2 3 4 3 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 92 92 t 1H J 17 \| 90 89 d 1H J 17 \| 85 85 t 1H J 14 \| 74 73 dq 2H J 10 70 \| 73 73 m 3H \| 73 72 m 1H \| 48 48 q 2H J 11	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC1CCN(c2cc(N)ncn2)C1	ir: 5 6 2 3 3 2 2 3 3 2 2 2 1 1 2 1 2 2 2 2 2 1 2 1 2 4 3 3 5 2 9 6 3 5 9 19 15 4 7 4 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 2 8 5 24 6 3 3 5 2 1 1 4 6 5 2 1 1 1 1 1 1 1 0 1 1 2 2 2 1 1 1 2 1 2 1 2 1 5 4 2 1 1 1 2 1 1 1 2 3 1 2 3 2 2 1 1 2 2 2 2 3 2 4 1 1 2 2 1 3 2 6 1 1 1 1 2 1 0 2 2 1 3 17 42 11 5 5 4 21 14 6 3 4 1 0 1 2 2 0 12 17 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 0 0 1 1 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 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 6 1 3 5 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 8 7 2 1 3 3 11 4 4 3 3 9 68 100 13 4 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 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 81 d 1H J 16 \| 64 64 s 2H \| 56 55 d 1H J 16 \| 44 43 d 1H J 69 \| 43 42 dp 1H J 34 67 \| 40 39 m 1H \| 37 36 m 2H \| 36 35 m 1H \| 22 21 dddd 1H J 31 56 76 130 \| 19 18 dddd 1H J 31 57 75 129 \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(C)C(OC1CCCCO1)C(C)CC(C)C(=O)N1CCCC1CO	ir: 5 5 7 7 6 6 6 5 7 6 5 5 7 4 3 6 11 4 4 6 7 5 10 7 7 4 4 9 7 4 5 7 5 5 12 18 11 5 10 7 6 4 4 7 6 4 4 6 5 4 5 7 5 3 3 7 3 3 4 5 4 2 4 7 4 4 5 6 3 3 5 7 6 5 5 6 6 7 4 5 3 5 4 5 3 3 6 5 6 5 8 8 4 8 10 8 10 19 26 11 7 7 5 5 8 6 7 6 6 8 11 7 6 6 8 7 7 6 8 7 6 5 5 5 4 5 6 4 4 6 6 3 4 6 4 5 3 5 5 3 3 4 4 3 3 4 8 17 3 5 4 3 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 4 4 3 3 4 4 3 3 4 4 2 3 4 3 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 5 3 3 4 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 5 6 7 3 5 6 5 5 7 7 14 5 5 7 6 0 43 100 65 40 16 10 6 6 5 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3; 1HNMR: 48 47 t 1H J 32 \| 39 38 m 2H \| 38 37 m 1H \| 36 35 ddd 1H J 35 54 119 \| 36 35 m 3H \| 35 34 m 1H \| 34 33 tdq 1H J 15 29 75 \| 28 27 tq 1H J 71 84 \| 22 21 ddt 1H J 54 70 123 \| 20 17 m 6H \| 17 16 m 2H \| 16 16 m 1H \| 16 15 m 1H \| 16 14 m 3H \| 15 13 m 2H \| 13 11 m 2H \| 11 10 d 3H J 71 \| 10 9 m 6H \| 9 8 dd 3H J 15 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1OC2(C)CCC1C(=NO)C2=NN	ir: 5 8 7 2 5 3 6 7 3 6 3 3 10 9 12 9 4 5 6 6 9 12 15 16 16 7 6 4 3 3 3 2 1 1 1 1 1 0 1 1 1 2 2 1 1 1 1 3 1 1 1 2 1 0 1 2 1 1 1 1 1 1 2 2 3 2 1 2 2 2 2 1 1 2 2 2 2 2 4 4 2 2 3 13 17 3 2 1 1 2 2 1 4 2 1 1 1 2 3 3 2 3 6 3 2 3 2 2 0 1 1 1 1 1 1 1 0 1 2 4 2 3 4 2 0 1 1 1 0 1 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 1 27 6 0 1 1 1 1 1 1 1 1 1 12 31 26 3 1 3 1 0 0 1 1 1 0 1 1 2 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 2 2 7 4 1 1 1 1 1 1 1 2 1 2 31 26 2 2 1 1 1 2 4 2 3 35 17 1 1 4 3 2 1 2 3 1 12 52 100 9 3 0 0 2 2 1 1 1 1 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; 1HNMR: 98 97 s 1H \| 71 71 s 2H \| 43 42 p 1H J 43 \| 29 28 qq 1H J 15 48 \| 22 21 ddd 1H J 51 78 129 \| 21 20 ddt 1H J 51 79 122 \| 19 18 ddd 1H J 53 81 131 \| 18 17 ddt 1H J 51 77 128 \| 13 13 s 2H \| 13 12 dd 3H J 16 41	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN([C@H]1CCN(Cc2cccc(C#N)c2)C1=O)S(=O)(=O)c1cc2nc(Cl)ccc2s1	ir: 4 6 5 13 11 11 10 9 15 15 10 9 13 14 7 5 6 6 10 8 5 6 2 5 11 4 7 9 5 3 4 5 7 8 17 64 18 14 17 8 4 3 5 10 6 4 4 7 15 32 10 12 30 100 16 6 3 1 9 8 5 6 9 6 12 4 10 13 7 2 10 7 3 2 7 5 5 4 64 6 3 10 7 7 18 16 31 25 16 11 8 6 3 12 19 5 28 5 11 7 8 7 8 3 1 2 3 2 1 2 5 18 74 6 5 4 2 4 10 8 4 4 4 4 3 5 11 8 3 3 4 13 23 8 7 2 2 3 3 6 20 5 3 3 3 3 3 10 55 23 11 3 19 10 12 4 10 16 6 6 2 3 2 0 2 4 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 2 1 2 3 1 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 3 1 2 3 3 1 2 4 5 1 5 10 15 14 46 57 61 21 27 5 4 1 3 3 4 1 2 3 1 1 2 3 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 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 84 83 d 1H J 77 \| 78 77 tt 1H J 10 21 \| 77 77 ddd 1H J 11 21 66 \| 75 74 t 1H J 69 \| 74 73 ddt 1H J 11 21 72 \| 73 72 d 1H J 77 \| 72 72 s 1H \| 46 45 dt 1H J 9 123 \| 44 44 m 1H \| 44 44 s 1H \| 36 35 ddd 1H J 49 67 116 \| 35 34 dddd 1H J 18 49 67 118 \| 28 28 d 3H J 15 \| 21 20 ddt 1H J 48 66 108 \| 19 18 dtd 1H J 48 68 108	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1[nH]c2c(F)cc(S(C)(=O)=O)cc2c1-c1nnc(Cl)c2ccccc12	ir: 3 1 1 1 1 1 7 3 0 1 1 9 2 1 1 1 12 4 1 1 1 6 3 33 3 1 12 1 1 26 1 1 1 1 2 1 1 10 28 1 1 1 1 5 23 1 1 0 1 1 1 0 1 1 1 0 1 3 1 0 1 2 1 0 1 4 99 8 5 4 2 1 2 4 1 1 1 1 1 1 1 1 1 1 1 5 10 4 21 5 1 1 1 1 1 1 1 1 2 1 13 3 1 1 2 9 9 1 3 5 0 1 2 3 9 8 3 2 1 15 4 3 25 4 1 1 2 2 2 4 1 2 3 2 3 7 2 0 0 3 48 4 5 2 1 1 2 2 0 2 9 0 1 6 9 6 1 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 2 9 12 7 16 29 100 8 5 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 10 31 31 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 89 89 d 1H J 48 \| 84 84 d 1H J 22 \| 82 81 m 2H \| 77 76 m 2H \| 75 74 dd 1H J 22 121 \| 32 32 s 3H \| 26 25 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)C(C(=O)Nc1ccccc1)C(C)C	ir: 2 3 1 2 4 2 1 5 10 12 6 4 3 1 2 2 7 20 5 9 3 3 11 6 2 3 6 3 6 9 4 3 4 6 9 5 11 13 5 15 47 63 71 48 31 24 13 7 7 6 3 4 2 2 3 2 1 0 10 2 3 1 3 4 3 3 5 9 16 31 5 4 1 1 2 4 2 5 7 4 3 2 4 2 1 1 1 1 1 1 3 2 5 2 3 1 1 2 2 2 3 2 6 7 52 10 8 6 1 2 3 8 3 3 3 3 2 5 8 9 11 8 4 4 2 6 12 6 3 4 3 12 8 11 10 11 5 6 4 4 18 30 15 5 15 20 24 100 43 28 9 9 13 29 13 4 3 2 2 0 18 11 5 2 2 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 3 2 3 2 2 2 1 2 2 3 4 8 3 6 8 17 31 41 64 44 19 7 8 3 1 3 3 3 3 1 2 1 2 3 3 2 1 4 5 10 34 19 78 28 9 3 3 2 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 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: 91 90 s 1H \| 75 75 m 2H \| 75 74 m 2H \| 72 71 tt 1H J 11 69 \| 35 35 ddp 1H J 15 31 75 \| 23 22 m 4H \| 10 10 dd 3H J 15 68 \| 10 9 dd 3H J 15 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCN1N=C(c2ccccc2O)NCC1=O	ir: 14 11 8 3 5 1 16 12 13 14 8 13 12 11 6 13 24 26 13 31 15 15 8 7 6 9 10 8 3 1 2 1 2 3 3 6 3 5 2 2 6 3 18 51 6 4 3 1 1 1 1 2 2 4 3 2 1 1 1 1 1 2 1 2 3 2 3 2 2 5 2 2 1 1 2 6 5 6 8 2 3 5 2 2 3 1 5 12 19 62 25 7 4 3 4 3 2 3 2 2 1 1 6 9 10 3 2 11 15 5 2 4 3 3 4 3 3 6 6 8 7 4 3 2 2 2 2 2 2 4 5 9 1 2 5 11 58 14 9 57 22 7 2 6 18 100 22 9 3 0 6 31 9 7 7 2 2 1 1 0 2 13 2 0 1 1 1 0 1 1 1 0 1 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 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 0 0 1 0 0 1 1 1 0 1 1 0 0 1 0 1 0 1 1 0 1 0 1 0 1 1 1 1 1 1 1 2 2 2 2 2 2 1 1 3 3 7 5 8 15 14 12 3 6 1 15 42 22 6 1 1 2 3 3 1 2 1 1 2 4 3 2 2 10 23 67 18 6 3 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 76 75 dd 1H J 15 77 \| 75 74 td 1H J 16 82 \| 71 70 td 1H J 13 78 \| 69 68 dd 1H J 14 84 \| 64 64 t 1H J 42 \| 43 42 d 2H J 44 \| 38 37 t 2H J 69 \| 17 17 p 2H J 65 \| 14 13 dtd 2H J 63 74 137 \| 10 9 t 3H J 74	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)c1ccccc1-c1ccc2c(c1)CNCC2	ir: 7 5 2 8 12 6 3 4 6 4 3 4 5 8 7 5 6 4 3 5 6 3 3 4 5 3 3 5 5 3 3 5 5 4 4 5 4 4 5 5 5 6 88 100 10 0 9 12 6 8 14 7 6 11 34 12 8 12 15 9 5 2 5 20 21 7 6 11 8 5 8 6 5 3 7 8 4 3 5 5 3 4 7 6 3 3 11 10 5 4 5 7 6 6 6 5 5 7 12 12 7 4 6 9 10 10 10 8 4 9 16 23 11 10 14 10 5 7 13 11 7 8 6 6 3 6 7 4 7 10 9 12 2 6 6 3 7 10 7 10 10 5 5 4 3 5 6 11 9 7 9 6 8 7 5 3 3 5 5 3 4 6 4 2 4 5 4 2 4 6 4 2 4 5 4 2 4 5 4 2 4 5 3 3 4 5 3 3 4 5 3 3 4 5 3 3 4 5 3 3 5 5 3 3 5 5 3 3 5 4 3 3 5 4 3 4 5 4 2 4 5 4 2 4 5 4 2 4 5 4 2 4 5 4 2 4 5 4 3 4 5 3 3 4 5 3 3 4 5 3 3 4 5 3 3 4 4 3 3 5 4 3 3 5 4 3 3 5 4 3 4 5 5 4 5 6 5 3 4 5 4 4 6 8 8 6 8 14 41 2 5 7 4 3 4 5 4 3 5 5 3 3 5 7 7 10 57 53 12 4 5 5 4 3 4 4 3 3 5 4 3 3 5 4 3 3 5 4 3 3 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 3 3 4 5 3 3 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 5 4 3 3 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3; 1HNMR: 79 79 dd 1H J 12 69 \| 77 76 ddd 1H J 12 66 104 \| 76 75 m 2H \| 75 74 td 1H J 15 68 \| 74 74 dd 1H J 10 21 \| 72 71 dt 1H J 9 82 \| 40 39 dd 2H J 9 46 \| 31 30 q 2H J 41 \| 29 29 m 2H \| 23 23 p 1H J 43	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCc1ccc(Cc2ccccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1	ir: 2 1 1 1 1 2 4 2 4 3 1 2 1 1 1 0 1 1 1 1 1 1 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 3 1 1 1 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 0 1 1 1 1 0 2 1 1 1 1 0 1 1 1 1 1 0 0 0 1 1 1 0 2 11 6 4 5 3 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 2 5 1 1 1 1 1 3 7 100 7 4 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 ddt 1H J 9 19 77 \| 73 72 m 3H \| 71 70 m 3H \| 70 69 dd 1H J 10 82 \| 53 52 m 1H \| 49 48 d 1H J 56 \| 47 46 m 1H \| 46 45 m 1H \| 40 39 ddd 1H J 45 54 121 \| 39 39 t 2H J 10 \| 38 38 q 2H J 57 \| 38 37 ddd 1H J 46 53 121 \| 37 37 t 1H J 45 \| 37 36 m 1H \| 36 34 m 3H \| 28 28 tt 2H J 9 57 \| 18 17 t 1H J 59	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(CN)c1ccc(-c2ccsc2)s1	ir: 8 7 6 7 7 3 2 5 10 6 5 6 9 7 10 11 13 13 15 16 15 7 3 10 13 13 6 10 14 6 4 7 8 2 4 5 6 3 3 7 7 3 5 30 10 5 12 15 8 2 5 9 29 1 5 6 5 5 11 16 13 17 21 18 20 17 11 11 8 16 17 12 10 7 6 10 8 3 5 6 4 4 8 8 12 24 38 13 2 3 20 8 3 3 7 4 2 2 7 5 3 6 9 7 9 17 10 13 5 7 16 12 5 5 8 4 6 15 30 17 7 11 17 8 5 11 10 24 7 7 14 6 1 6 13 22 16 9 8 2 3 6 7 13 16 9 6 3 10 34 16 3 2 5 4 1 3 5 3 1 2 5 3 0 3 6 7 4 3 6 3 0 3 5 2 0 3 5 2 0 3 5 2 1 3 5 2 1 3 5 2 1 4 4 2 1 4 4 1 1 4 4 1 2 4 4 1 2 4 3 1 2 5 3 1 2 5 3 1 2 5 3 0 2 5 3 0 3 5 3 0 3 5 2 0 3 5 2 0 3 5 2 1 3 4 2 1 3 4 2 1 4 4 2 1 4 4 1 2 4 4 2 2 4 4 1 2 5 4 2 3 7 6 3 8 12 7 2 6 6 10 4 100 51 35 28 92 32 18 6 5 8 3 19 30 25 5 4 4 7 9 6 15 10 4 3 8 8 7 10 16 4 2 2 4 4 2 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1; 1HNMR: 76 76 t 1H J 16 \| 74 73 dd 1H J 16 48 \| 73 73 dd 1H J 17 48 \| 70 70 d 1H J 70 \| 70 69 m 1H \| 33 32 dtd 1H J 40 62 114 \| 30 29 dtd 1H J 40 62 113 \| 29 29 m 1H \| 26 25 t 2H J 62 \| 14 13 d 3H J 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C(O)c1c(Cl)ccnc1Cl	ir: 9 9 6 4 3 4 6 4 3 5 6 13 21 9 7 3 2 30 23 3 4 5 5 3 3 4 4 2 2 6 9 3 2 4 4 2 3 5 20 85 10 5 3 16 21 41 20 2 4 5 4 5 6 10 4 4 4 5 3 2 6 8 4 7 4 5 3 3 4 10 6 5 6 28 16 10 13 10 5 6 11 22 26 5 12 13 95 86 30 27 22 25 11 9 14 32 31 19 20 10 13 5 2 5 8 5 4 15 14 6 3 4 6 4 2 7 7 8 4 8 11 18 12 16 14 4 2 4 5 4 4 7 4 2 1 3 4 2 5 6 4 2 2 4 28 42 3 7 18 9 8 6 4 0 4 42 100 14 4 2 3 3 3 3 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 1 3 4 3 1 3 4 3 1 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 3 4 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 3 5 6 3 3 5 4 2 4 6 8 4 7 7 11 16 12 9 7 25 16 6 5 4 5 7 33 43 8 4 3 2 3 4 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 4 3 2 3 4 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3; 1HNMR: 84 83 d 1H J 35 \| 72 72 d 1H J 35 \| 50 49 m 1H \| 36 35 d 1H J 68 \| 23 22 dp 1H J 69 78 \| 10 10 dd 3H J 15 69 \| 10 10 dd 3H J 15 69	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1NCc2ccncc21	ir: 9 8 0 4 8 4 0 4 7 3 1 9 20 20 100 7 11 2 2 9 8 4 2 6 6 2 3 11 7 2 2 7 6 2 2 7 16 31 17 8 6 1 3 7 5 2 4 12 5 1 3 7 4 1 4 7 6 6 5 8 4 0 5 7 4 3 13 8 4 1 5 7 3 6 6 10 3 2 5 6 3 2 6 6 2 7 9 7 7 9 9 5 2 3 6 5 1 3 7 6 1 3 7 5 1 3 7 4 0 3 7 12 5 6 8 7 1 13 8 4 2 7 10 6 3 6 8 6 4 6 7 3 2 5 6 2 2 5 9 7 6 6 6 2 2 6 5 2 3 6 5 2 3 6 6 6 22 68 20 8 6 6 4 1 3 6 4 1 4 7 4 1 4 7 4 1 4 7 3 1 4 6 3 1 4 6 3 1 5 6 3 2 5 6 2 2 5 5 2 2 5 5 2 2 6 5 2 3 6 5 2 3 6 5 1 3 6 4 1 3 6 4 1 3 6 4 1 4 7 4 1 4 6 3 1 4 6 3 1 4 6 3 2 4 6 3 2 5 6 3 2 5 5 3 2 5 5 2 2 5 5 2 3 6 5 2 3 6 5 2 3 6 4 2 4 6 4 1 3 6 4 1 4 7 4 3 8 9 6 2 5 7 4 1 4 6 3 1 5 6 5 2 5 6 3 3 6 6 3 2 22 16 21 8 10 5 3 4 6 5 2 3 5 5 2 3 5 4 2 3 6 4 2 3 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 3 2 4 6 3 2 4 5 3 2 5 5 3 2 5 5 3 3 5 5 3 3 5 5 2 3 5 5 2 3 5 4 2 3 5 4 2 3 5 4 2 3 6 4 2 4 6 4 2; 1HNMR: 89 89 d 1H J 15 \| 85 84 dd 1H J 13 44 \| 74 74 dt 1H J 10 44 \| 73 72 t 1H J 40 \| 45 44 dd 2H J 9 40	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1c(OC2CCNCC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N	ir: 15 20 21 14 11 11 7 5 12 7 11 6 2 2 5 6 4 6 16 4 9 29 13 14 4 7 8 4 5 12 6 5 6 4 5 7 16 20 6 7 7 10 3 10 20 8 5 3 3 2 2 3 5 14 6 4 3 5 2 2 2 3 1 2 3 3 3 10 3 5 5 15 10 3 2 2 7 4 6 5 14 1 2 2 9 1 1 1 1 1 1 1 2 4 2 2 2 6 1 1 1 2 2 1 5 3 1 1 1 4 7 3 15 3 7 19 15 21 7 4 7 9 27 6 5 4 3 10 20 9 3 3 3 8 6 2 4 18 9 4 1 1 3 3 3 4 4 1 2 2 14 6 18 7 4 3 6 15 4 3 100 80 4 3 6 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 3 2 2 1 2 1 1 3 6 6 3 10 11 12 9 3 1 1 1 2 1 1 1 1 2 1 1 4 5 0 11 42 18 9 7 3 0 2 2 1 1 4 4 26 66 1 3 1 1 0 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 90 89 d 1H J 19 \| 82 81 dd 1H J 20 81 \| 81 80 m 2H \| 80 79 m 2H \| 75 74 m 2H \| 74 73 m 1H \| 66 66 s 2H \| 56 55 p 1H J 48 \| 46 45 p 1H J 40 \| 33 32 dddd 2H J 31 39 59 135 \| 30 29 dddd 2H J 31 39 59 134 \| 26 26 s 2H \| 22 21 dddd 2H J 31 48 59 139 \| 20 19 dddd 2H J 31 49 59 140	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCc1nc2c(C)cc(Oc3cc(Cl)ncn3)cc2[nH]1	ir: 2 2 3 5 6 6 3 3 2 2 4 6 4 2 3 2 3 11 21 14 2 8 57 94 17 11 7 5 4 6 4 5 11 25 33 45 56 36 22 11 3 4 2 1 3 3 3 18 11 4 2 2 4 8 12 11 3 6 7 7 3 3 5 8 12 41 53 49 11 4 14 18 11 4 3 1 2 4 6 7 3 4 3 5 8 11 3 2 4 5 3 3 5 3 2 2 3 3 8 17 7 5 2 2 9 27 13 13 6 3 3 4 7 3 2 4 8 3 3 3 3 3 3 4 4 3 2 2 3 4 9 10 3 3 3 4 16 21 9 72 9 4 5 3 11 43 24 3 2 2 12 11 4 2 3 2 21 52 100 44 6 0 6 33 3 2 2 2 2 1 2 2 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 2 3 3 2 2 2 2 3 4 3 3 2 3 4 5 9 13 12 36 61 36 10 5 2 2 3 3 4 3 2 2 2 3 3 3 1 2 2 3 2 3 4 5 6 18 48 64 18 9 6 2 2 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2; 1HNMR: 83 83 d 1H J 14 \| 82 81 s 1H \| 76 76 d 1H J 22 \| 69 69 d 1H J 24 \| 65 65 d 1H J 14 \| 44 44 s 2H \| 35 34 s 3H \| 25 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cnc(NC(=O)N2c3nc(-c4ccc(C)nc4)ccc3N3CC[C@H]2C3)cn1	ir: 1 2 4 7 2 2 6 27 4 2 2 2 2 13 1 3 2 2 2 3 3 2 1 1 1 4 10 11 6 4 3 32 1 11 11 2 3 2 2 1 4 7 4 3 12 24 20 3 6 3 3 3 39 3 2 9 26 6 1 2 6 2 6 2 2 1 6 2 3 5 11 13 7 6 1 2 2 8 4 4 2 1 0 0 2 1 2 1 5 9 3 3 25 5 13 1 1 1 2 1 1 1 6 2 1 4 2 2 2 1 4 4 6 3 4 6 5 5 4 4 4 2 1 4 2 4 3 2 2 4 5 2 1 7 43 3 13 17 9 1 12 1 0 2 3 0 1 3 4 11 100 43 12 11 55 4 4 2 2 2 5 0 9 8 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 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 2 1 2 2 4 2 1 2 4 9 6 5 16 12 4 3 2 2 1 1 0 1 1 1 0 1 1 1 1 1 1 3 3 4 2 3 8 21 46 11 4 3 2 1 1 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 94 94 s 1H \| 92 92 d 1H J 19 \| 86 85 s 1H \| 81 80 m 2H \| 78 78 d 1H J 82 \| 74 73 m 2H \| 49 48 tdt 1H J 20 33 41 \| 40 39 m 1H \| 38 36 m 3H \| 29 28 qd 2H J 8 76 \| 27 26 d 3H J 7 \| 24 23 m 1H \| 20 19 ddt 1H J 48 64 113 \| 14 13 t 3H J 77	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCC(=O)c1c(OC)cc(OC)cc1OC	ir: 7 9 6 7 6 5 4 5 8 4 3 5 11 8 8 11 17 5 3 8 9 7 6 10 13 13 5 4 5 4 2 4 6 2 1 5 7 5 5 8 6 2 3 8 7 2 6 6 7 4 13 21 4 2 11 9 9 4 9 8 11 6 13 17 14 69 68 31 76 28 18 13 8 10 6 10 4 5 7 4 1 2 2 2 2 1 2 2 1 1 2 2 2 3 4 4 4 8 11 7 11 8 9 14 6 3 5 4 1 3 4 4 2 2 8 6 17 32 39 18 40 24 24 27 15 10 6 14 10 4 13 9 10 13 26 30 25 17 7 2 5 8 9 48 98 35 12 6 6 5 4 0 1 4 4 1 27 12 4 6 4 55 100 18 4 4 2 1 2 3 1 0 1 3 2 1 2 3 2 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 3 5 6 4 5 8 7 9 4 5 3 6 6 12 58 48 37 12 74 80 10 5 8 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 61 61 s 2H \| 39 39 s 6H \| 38 38 s 3H \| 37 36 s 3H \| 34 33 t 2H J 86 \| 28 27 t 2H J 86	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(CC(N)=O)c2ccc(-n3ccnc3)cc21	ir: 5 8 5 11 9 16 10 9 5 3 2 1 3 3 2 1 0 2 4 1 1 1 1 1 1 2 1 1 1 11 15 2 3 5 2 3 1 3 8 2 1 3 5 2 6 3 2 2 1 0 1 1 3 12 12 7 4 2 1 0 9 3 1 1 2 5 3 7 16 4 6 2 9 11 8 2 7 11 8 4 2 3 1 1 1 1 1 0 2 5 5 2 5 2 2 2 16 23 4 7 3 2 1 3 4 10 6 2 2 2 13 8 5 2 1 2 2 2 2 3 3 3 1 4 5 7 3 2 1 1 2 3 3 3 6 1 2 1 1 1 1 1 7 53 5 2 1 1 2 2 1 1 6 5 4 7 14 5 2 1 3 2 1 1 1 4 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 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 1 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 1 0 1 1 1 1 1 1 4 2 1 1 2 2 3 3 2 2 5 5 6 7 7 10 10 41 41 75 9 4 2 2 1 0 1 1 1 0 1 3 1 2 4 65 2 2 2 1 1 0 1 2 3 8 10 100 34 16 3 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 83 t 1H J 16 \| 80 80 dd 1H J 17 38 \| 78 77 dd 1H J 16 38 \| 77 77 d 1H J 67 \| 76 76 dd 1H J 22 66 \| 74 74 d 1H J 22 \| 71 70 d 1H J 9 \| 65 65 s 2H \| 38 38 s 3H \| 36 35 d 2H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(Nc2ccc(OCc3ccccc3)cn2)CC1	ir: 9 6 8 7 20 15 2 17 5 11 23 26 10 13 3 9 5 15 17 14 26 8 12 13 6 3 10 6 7 6 17 3 9 11 9 18 19 15 23 14 54 11 9 3 3 4 2 3 2 2 2 2 8 41 22 23 7 4 4 4 4 3 3 3 3 12 6 4 4 6 13 3 1 2 2 3 3 2 9 3 1 1 1 1 1 2 2 2 6 5 14 7 5 2 7 5 1 3 4 3 2 2 2 2 3 3 5 6 5 9 5 4 4 7 6 4 6 6 15 18 11 11 15 13 10 5 25 20 13 10 20 8 7 4 8 15 3 6 4 4 8 7 22 19 27 39 18 12 9 8 7 80 12 4 2 2 1 1 1 6 5 54 4 1 2 2 1 0 1 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 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 1 0 0 1 0 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 3 1 2 2 4 2 5 3 3 3 3 3 7 10 42 33 12 82 19 18 6 6 4 3 2 2 2 1 1 2 1 1 1 1 1 1 1 1 5 4 14 11 92 100 41 21 13 8 2 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 79 78 d 1H J 19 \| 74 73 m 5H \| 73 73 m 1H \| 71 71 dd 1H J 20 88 \| 68 67 d 1H J 88 \| 58 57 d 1H J 73 \| 52 51 d 2H J 9 \| 40 39 dp 1H J 48 73 \| 37 36 ddd 2H J 59 86 130 \| 34 33 ddd 2H J 58 85 128 \| 21 20 dddd 2H J 48 59 86 133 \| 19 18 dddd 2H J 48 59 86 130 \| 15 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)c1nc(C(N)=O)cc(-c2c(OC)cccc2OC)n1	ir: 6 6 6 6 6 6 8 9 7 7 6 7 10 7 6 8 10 9 7 10 14 10 9 14 12 8 6 8 7 6 6 6 6 5 6 6 6 10 23 15 9 6 6 6 6 7 25 36 16 7 7 9 16 72 10 6 7 7 6 6 7 6 6 6 7 10 15 16 13 6 7 6 7 7 7 6 6 7 7 11 6 6 9 6 6 8 13 8 7 6 6 7 6 6 6 6 6 6 6 6 6 6 6 6 5 6 6 6 5 6 6 6 7 6 6 6 5 6 6 6 5 8 7 6 8 6 7 7 5 6 6 6 6 7 7 6 6 8 15 12 14 100 28 10 12 15 24 7 5 8 7 28 6 7 8 6 14 29 44 0 32 7 6 7 6 5 5 6 5 5 5 6 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 5 5 5 5 6 5 5 6 5 5 5 5 5 5 5 6 5 5 5 6 6 6 6 6 5 5 5 6 6 5 6 6 6 6 6 11 9 7 10 18 29 7 6 6 6 6 5 6 6 6 6 6 5 5 6 6 8 34 5 5 6 6 5 5 6 6 5 5 7 11 79 7 6 5 6 6 5 6 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 78 78 s 1H \| 73 72 t 1H J 81 \| 72 72 s 2H \| 67 66 d 2H J 81 \| 38 37 s 5H \| 37 36 q 4H J 79 \| 13 12 t 7H J 79	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ncccc1C1CCCO1	ir: 0 1 1 1 0 3 6 2 1 1 1 1 1 2 1 1 1 1 2 3 2 1 1 2 2 1 1 1 0 1 1 0 2 2 2 23 63 28 4 2 6 3 1 1 1 2 2 0 0 1 1 0 2 2 1 1 3 4 4 4 4 20 14 3 1 2 1 1 1 1 2 3 2 4 4 26 7 5 2 3 3 1 4 4 3 2 1 2 1 1 1 1 1 1 3 1 1 1 0 1 1 3 7 3 1 1 1 1 4 2 1 1 2 4 1 1 1 1 0 1 2 1 0 2 3 2 1 5 45 100 19 3 1 2 1 1 0 2 16 9 6 1 1 1 1 6 30 3 2 1 1 1 1 5 13 5 2 5 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 2 2 2 2 3 2 3 2 1 5 6 3 4 22 18 5 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 84 83 ddd 1H J 21 38 51 \| 78 78 m 1H \| 73 72 dd 1H J 50 90 \| 52 52 m 1H \| 40 40 ddd 1H J 28 46 108 \| 39 38 ddd 1H J 29 48 108 \| 27 26 dddd 1H J 38 60 79 137 \| 24 23 dddd 1H J 37 59 79 136 \| 21 20 ddddd 1H J 28 47 59 77 136 \| 20 19 ddddd 1H J 29 48 59 76 136	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CN(c2cccc[n+]2[O-])c2cc([N+](=O)[O-])c(N)cc2O1	ir: 2 4 5 14 4 8 9 9 2 6 4 3 6 2 2 4 4 3 2 3 2 2 3 3 3 3 3 6 7 7 3 3 2 3 2 2 2 3 5 2 6 3 2 2 2 3 3 2 3 4 5 2 2 2 2 2 2 3 2 2 2 3 3 3 3 3 3 5 10 5 3 2 2 2 4 7 4 2 2 2 2 2 4 3 3 2 2 2 2 2 2 2 3 2 2 2 2 3 3 3 7 4 2 3 2 2 2 2 2 2 2 2 2 2 3 2 2 3 3 3 3 2 3 2 3 4 3 2 2 3 4 2 2 2 2 2 2 2 2 3 3 4 3 2 3 2 4 6 3 2 6 4 3 3 5 4 11 11 12 6 3 4 3 2 3 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 3 3 2 3 4 3 2 10 11 7 5 5 4 2 2 2 3 2 1 2 3 2 1 2 4 1 0 5 55 100 7 1 1 3 3 2 2 3 4 9 42 35 8 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 s 1H \| 65 65 s 1H \| 64 64 s 2H \| 43 43 dd 1H J 16 61 \| 40 40 s 2H \| 39 38 dd 1H J 15 49 \| 30 29 td 1H J 16 59 \| 22 22 ddd 1H J 16 48 57 \| 14 14 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cc1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1	ir: 4 8 14 7 3 12 5 4 1 2 2 2 2 15 12 9 16 2 2 8 30 4 1 1 1 1 5 1 3 2 15 20 4 1 3 3 1 1 3 13 2 2 3 7 5 3 2 3 2 2 1 1 7 6 2 9 22 10 6 0 1 3 4 5 21 48 21 8 5 3 2 1 6 3 1 1 3 6 22 7 2 3 10 6 11 100 5 4 17 12 55 14 5 2 2 1 2 3 6 26 31 10 5 2 1 1 1 1 3 6 7 2 41 8 4 2 2 2 2 2 2 4 5 46 17 16 7 6 9 3 6 6 2 2 1 11 6 1 1 1 1 1 1 1 1 2 4 35 7 44 22 1 1 2 2 1 1 3 1 1 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 4 3 15 13 9 17 27 32 30 5 3 6 6 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 77 77 d 2H J 22 \| 76 75 dq 2H J 14 73 \| 75 75 t 1H J 22 \| 74 73 dt 2H J 9 71 \| 37 36 m 4H \| 35 35 t 2H J 8 \| 34 33 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ncn(-c2cc(N)cc(C#N)c2)c1C	ir: 8 5 3 4 11 8 2 4 8 5 2 4 5 3 3 3 5 3 1 3 8 11 2 3 4 3 2 4 3 1 2 4 8 4 1 4 4 2 10 5 4 9 4 5 4 17 18 3 2 1 3 5 2 0 2 4 2 0 3 9 4 4 9 7 7 20 38 100 50 7 4 5 3 3 15 11 6 1 4 6 6 23 15 5 2 2 3 3 4 6 6 3 2 4 8 4 2 2 15 14 5 5 10 8 3 3 8 10 4 2 5 4 2 3 5 3 9 9 14 6 6 5 4 4 6 3 6 6 2 7 8 6 3 3 5 2 1 3 8 2 1 3 3 1 1 3 3 0 1 3 3 0 2 7 8 5 3 4 4 8 28 32 85 22 3 4 2 1 2 4 2 0 2 4 2 1 2 4 2 1 2 3 4 3 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 4 3 2 8 7 3 3 4 8 6 8 5 7 6 3 9 16 10 13 13 69 81 48 25 2 4 4 3 3 3 2 2 2 2 1 2 2 2 11 10 5 2 2 2 2 1 1 2 2 3 60 41 7 2 2 2 2 1 2 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1; 1HNMR: 80 80 s 1H \| 73 73 t 1H J 21 \| 71 71 t 1H J 21 \| 68 67 t 1H J 21 \| 53 52 s 2H \| 24 24 s 3H \| 23 23 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(C[C@@H]1CSC(c2cc3cc(Cl)cc(NC4CCCC4)c3[nH]2)=N1)N1CCCCC1	ir: 4 5 3 3 6 8 3 9 13 6 52 62 36 23 13 7 9 24 26 21 27 23 10 13 9 10 8 21 5 6 8 16 12 7 2 4 7 7 27 8 2 4 8 14 4 5 2 7 4 8 14 7 2 2 3 5 2 4 3 2 4 5 2 6 4 10 25 27 10 3 5 7 7 7 5 6 1 1 2 2 2 5 18 6 5 2 3 5 5 5 4 3 4 3 1 2 3 3 7 8 42 23 9 10 6 15 40 35 3 12 14 65 11 11 29 10 5 6 4 4 2 10 17 12 8 9 9 5 3 2 7 16 6 5 7 6 12 12 22 100 39 26 22 12 8 10 12 17 12 4 2 2 1 2 2 1 1 2 6 2 37 5 8 11 3 1 1 0 1 0 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 2 2 4 4 9 9 9 7 7 4 7 10 15 34 11 9 18 32 36 10 2 3 3 2 1 2 1 1 2 2 1 1 2 3 3 3 5 7 6 18 29 63 84 22 26 11 7 6 9 4 2 2 1 1 1 2 1 1 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 100 100 s 1H \| 74 74 t 1H J 22 \| 72 72 d 1H J 22 \| 67 67 d 1H J 22 \| 48 47 tdd 1H J 38 58 75 \| 47 46 d 1H J 66 \| 42 41 dp 1H J 36 71 \| 35 35 dd 1H J 38 115 \| 34 32 m 6H \| 27 26 dd 1H J 76 145 \| 25 24 dd 1H J 75 145 \| 21 20 ddtd 2H J 19 36 73 151 \| 18 15 m 11H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(CC)COC(=O)N1CCC(Oc2ncnc3c2cnn3-c2ccc(S(C)(=O)=O)cc2)CC1	ir: 1 3 4 6 3 3 3 3 1 3 2 1 2 2 1 1 1 2 1 1 4 4 1 1 1 1 2 1 1 1 1 1 1 1 2 7 2 1 1 1 10 6 2 7 1 2 1 0 1 1 2 1 2 1 3 37 3 3 1 1 1 1 1 1 2 9 1 0 1 2 2 1 1 1 1 1 1 2 1 1 1 2 6 2 9 5 3 1 3 2 1 1 1 1 1 1 1 1 1 5 11 1 2 1 2 5 2 3 3 3 3 2 1 1 2 1 3 2 2 4 5 4 6 3 2 5 2 1 2 2 2 2 1 1 1 2 2 22 1 2 1 1 1 1 1 0 1 1 3 2 5 6 2 12 2 6 2 1 100 0 1 1 2 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 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 2 1 1 1 1 2 1 2 1 0 1 2 2 2 7 8 7 21 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 0 1 1 1 0 1 1 1 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 85 85 s 1H \| 85 84 s 1H \| 81 81 m 2H \| 80 79 m 2H \| 49 48 p 1H J 49 \| 41 40 d 2H J 67 \| 37 37 ddd 2H J 60 87 123 \| 34 33 ddd 2H J 59 86 123 \| 33 32 s 2H \| 24 23 dddd 2H J 49 60 88 134 \| 21 20 dddd 2H J 49 59 86 134 \| 16 15 m 3H \| 13 12 dp 2H J 69 126 \| 8 7 td 6H J 16 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CCN(CCOc2ccc(N)cc2)CC1	ir: 14 17 14 21 51 17 14 9 1 4 4 7 3 3 6 1 2 2 1 1 1 1 2 2 1 4 18 2 2 1 1 1 1 2 4 1 3 1 2 2 1 3 2 2 1 3 2 2 2 2 2 3 5 8 50 16 9 0 2 2 5 5 2 8 4 4 4 2 1 4 7 4 1 2 1 2 3 6 6 15 7 7 6 2 1 16 2 2 6 13 4 2 1 1 1 3 2 3 2 5 3 7 2 3 5 3 24 6 3 1 1 1 1 1 1 1 3 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 0 1 1 1 1 6 1 1 2 2 4 7 6 17 36 21 3 2 1 1 1 13 2 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 2 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 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 1 1 1 1 1 1 1 3 3 1 2 1 2 2 3 2 3 8 3 12 19 5 5 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 4 11 10 1 1 1 0 1 1 2 6 33 58 100 29 4 1 1 1 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 67 66 m 2H \| 65 64 m 2H \| 42 41 m 2H \| 37 37 s 2H \| 30 30 t 2H J 59 \| 29 28 m 2H \| 28 27 m 2H \| 17 16 m 3H \| 14 13 m 2H \| 11 10 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccc(C(=O)c2cnccc2Cl)cc1	ir: 1 2 1 1 2 7 2 1 2 17 4 1 1 6 2 1 1 2 2 11 3 2 2 1 1 2 2 5 6 7 2 2 1 3 3 7 3 4 8 60 3 6 3 2 3 2 2 2 1 1 1 1 1 2 2 5 12 3 5 13 3 2 1 0 1 2 1 1 3 8 19 12 40 5 7 2 2 1 1 1 1 2 1 1 1 2 4 14 7 3 2 1 6 9 1 1 2 2 1 12 1 1 2 1 1 1 2 28 2 2 2 2 77 5 5 2 2 2 2 3 2 9 2 2 5 12 6 2 2 2 2 2 1 3 34 6 2 4 1 1 1 1 1 100 7 3 10 3 6 5 5 11 4 7 9 3 3 2 3 48 3 0 12 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 2 0 2 2 2 5 3 9 8 93 25 0 4 3 2 1 3 3 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; 1HNMR: 89 88 d 1H J 12 \| 86 85 dd 1H J 14 36 \| 78 78 m 2H \| 75 75 d 1H J 37 \| 74 74 dq 2H J 10 84 \| 27 27 qt 2H J 9 73 \| 12 12 t 3H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc(C(=O)CBr)cs1	ir: 1 1 1 1 1 1 1 1 1 4 2 3 1 1 1 1 1 2 4 8 7 1 2 1 1 1 1 2 6 50 1 1 3 2 1 1 1 1 1 1 2 3 9 2 3 11 10 7 2 36 2 2 1 1 1 1 1 1 1 1 1 3 3 1 1 1 1 1 1 2 1 1 1 1 1 3 44 4 0 0 1 2 0 0 1 2 4 1 3 3 1 2 49 4 0 1 1 1 1 1 2 32 2 1 1 1 1 1 4 1 2 5 32 15 13 6 1 3 5 4 3 9 1 2 3 7 7 2 2 2 2 2 2 1 1 3 5 100 25 4 1 1 1 1 2 1 1 1 2 4 3 1 1 1 1 1 1 9 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 2 3 2 4 3 2 2 2 1 3 5 14 2 2 2 3 45 9 3 2 5 12 2 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 74 d 1H J 18 \| 73 72 dt 1H J 9 18 \| 45 45 s 2H \| 29 28 qd 2H J 8 67 \| 13 12 t 3H J 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cl)CC(CC(=O)Cl)c1ccccc1	ir: 5 5 3 32 11 5 3 11 13 12 10 10 6 4 3 4 4 3 2 6 4 2 4 4 3 2 2 4 4 5 7 20 10 3 2 4 3 4 9 20 14 19 31 6 12 9 23 9 5 2 2 6 3 0 2 5 3 1 3 5 3 1 3 4 2 1 3 8 5 11 7 5 4 11 5 4 3 3 8 6 4 4 4 4 5 4 5 4 2 3 9 4 2 2 3 3 2 3 5 5 2 2 4 3 1 2 4 3 2 21 18 7 4 3 4 4 4 5 7 8 12 8 7 6 5 5 5 6 8 7 4 5 10 19 4 35 75 100 15 4 2 11 11 24 30 12 8 2 2 5 4 0 12 5 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 0 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 3 5 15 6 3 3 7 6 2 5 21 28 19 18 79 22 17 7 6 3 1 3 5 3 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 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 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 73 72 m 5H \| 38 37 m 1H \| 34 33 dd 2H J 85 159 \| 31 30 dd 2H J 84 158	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1cc(O)ncn1	ir: 11 5 3 22 19 14 16 13 11 7 5 3 5 4 5 5 5 12 10 5 6 3 4 6 4 3 2 3 3 2 2 3 5 74 67 40 51 22 8 1 3 6 5 3 4 4 3 2 2 3 2 2 3 4 5 11 3 3 2 2 3 3 4 7 16 10 8 15 16 19 48 15 17 7 4 4 4 3 2 2 3 4 4 6 4 10 17 42 38 8 5 4 5 3 4 4 4 3 3 2 2 2 3 6 4 3 2 2 2 3 5 3 4 3 3 2 2 3 3 2 3 3 3 2 2 2 3 3 5 4 6 2 2 5 10 2 1 4 4 5 50 36 100 84 6 0 1 4 4 1 2 4 3 2 2 4 3 4 18 40 7 3 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 3 4 3 4 8 9 6 10 5 5 3 4 11 11 47 47 31 21 7 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 82 82 d 1H J 15 \| 62 62 dt 1H J 9 17 \| 47 46 dd 2H J 8 55 \| 35 35 t 1H J 56	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCc1nc(Cl)c(CC#N)n1Cc1ccc(C#N)cc1	ir: 3 2 2 6 5 6 5 7 4 17 7 14 10 17 3 5 6 4 2 2 2 2 2 3 3 2 17 25 2 4 3 2 2 2 4 6 6 5 11 8 16 8 3 3 4 10 10 8 8 3 3 3 6 12 7 7 100 72 16 17 9 5 5 4 2 0 3 3 4 25 4 3 5 5 6 7 3 2 3 3 2 3 3 3 9 1 5 3 6 2 3 3 1 1 6 9 57 12 10 10 3 2 4 4 4 4 8 17 3 11 17 16 18 16 25 20 25 8 13 50 12 7 23 12 12 13 12 4 5 6 6 4 3 7 5 6 5 3 2 1 1 2 4 1 1 14 67 15 12 0 1 3 8 1 1 2 2 1 1 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 6 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 2 2 2 2 4 10 3 7 11 23 9 11 12 7 13 16 18 27 58 58 36 38 78 42 7 10 9 11 1 2 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 75 m 2H \| 73 73 dq 2H J 9 72 \| 51 51 t 2H J 9 \| 39 39 s 2H \| 27 26 t 2H J 69 \| 17 16 p 2H J 67 \| 15 14 m 2H \| 10 9 t 3H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]c(Sc2ccccc2)nc2nc[nH]c12	ir: 4 4 3 2 2 2 2 2 3 3 3 2 2 2 2 2 2 5 4 6 5 3 2 2 2 3 11 7 2 8 4 3 11 26 25 3 13 18 6 2 52 39 4 1 4 13 25 100 93 0 4 5 3 1 3 4 6 3 3 3 2 1 2 2 2 2 3 3 6 4 2 2 2 2 5 4 2 3 2 2 2 2 5 3 6 3 2 2 2 2 2 2 2 2 2 2 4 3 5 6 2 2 5 6 1 2 2 2 2 2 2 2 2 2 2 2 2 4 5 2 3 6 2 2 3 3 2 2 3 9 4 3 10 9 15 6 2 2 3 6 9 21 10 2 7 3 2 2 3 2 5 8 9 30 2 1 2 2 2 2 4 39 43 3 2 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 5 24 26 8 3 2 6 7 2 3 2 3 2 2 2 2 2 3 2 2 3 3 3 3 3 3 7 59 32 10 5 3 6 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 80 d 1H J 53 \| 75 74 m 3H \| 74 73 m 3H \| 73 73 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=[N+]([O-])CC1(c2cccc(C(F)(F)F)c2)COC1	ir: 6 1 10 1 2 2 11 4 1 2 1 1 1 1 2 3 3 4 1 1 1 1 2 12 2 1 1 0 2 1 3 2 25 100 8 2 1 0 1 2 1 1 4 10 2 7 7 8 68 0 2 8 11 3 1 2 31 4 6 2 2 3 2 3 3 0 3 5 7 2 9 4 1 1 4 4 8 2 2 10 2 2 2 2 1 2 16 11 2 1 5 14 2 2 1 2 4 5 8 19 30 2 3 2 1 17 3 2 0 6 19 18 86 8 3 1 3 3 4 15 23 7 2 2 3 3 3 5 30 5 6 7 3 4 7 3 5 3 2 3 15 31 11 5 2 1 1 1 1 1 1 1 7 2 2 9 5 3 2 0 2 1 1 1 1 0 1 1 1 1 0 1 1 0 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 1 1 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1 0 1 1 1 1 2 2 1 2 2 6 7 4 6 3 2 3 9 16 29 28 86 41 5 2 2 1 1 3 2 1 1 1 0 1 1 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 t 1H J 21 \| 76 75 ddd 1H J 13 23 101 \| 75 74 dd 1H J 71 101 \| 74 73 ddd 1H J 13 21 71 \| 49 48 s 2H \| 44 43 d 2H J 102 \| 41 41 d 2H J 102	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1(c2onc(-c3ccc(OC)cc3)c2-c2ccccc2)CC1	ir: 9 4 5 3 1 2 5 2 1 5 5 6 9 5 3 2 3 19 4 4 2 3 5 4 5 3 10 2 1 1 1 1 11 3 2 10 11 4 2 5 52 4 10 16 4 1 2 1 1 2 2 5 3 3 9 18 34 8 3 2 4 5 6 8 3 4 2 6 8 17 5 1 2 3 4 2 4 2 2 3 9 1 1 1 1 1 2 7 17 2 3 3 5 7 2 5 4 4 1 1 0 2 5 5 6 1 1 1 1 1 0 1 1 2 1 1 3 2 1 3 3 2 9 28 13 13 5 13 14 4 9 10 1 1 5 7 1 1 1 3 7 1 2 14 58 24 51 14 20 24 24 32 5 6 6 1 1 1 1 1 1 8 1 4 1 1 1 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 1 1 1 1 1 1 1 1 1 25 5 5 9 3 93 100 25 19 9 12 6 1 1 3 2 2 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: 74 73 m 5H \| 71 70 s 4H \| 43 42 q 2H J 61 \| 38 38 s 2H \| 18 18 m 2H \| 16 15 m 2H \| 12 12 t 3H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOc1cc2nc[nH]c(=O)c2cc1OC	ir: 2 4 7 3 5 3 1 4 10 5 8 2 3 1 1 5 8 9 3 1 2 1 1 1 5 10 4 3 3 1 5 7 8 4 7 12 17 3 2 3 3 4 5 2 13 21 7 6 4 5 36 63 15 6 2 1 1 1 1 1 2 2 7 3 4 4 10 22 10 19 9 8 4 4 6 3 3 5 5 2 1 1 1 1 1 0 1 0 0 0 1 1 0 2 6 2 3 4 1 56 2 1 2 3 0 1 1 1 0 0 1 1 1 5 2 0 1 2 3 7 6 3 2 5 6 5 6 9 4 2 2 0 0 2 7 58 6 1 1 1 1 4 4 1 0 1 6 21 14 2 2 2 4 30 13 3 1 2 2 0 69 19 1 2 5 2 1 1 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 1 1 1 1 2 1 1 0 0 1 1 2 1 7 11 6 4 100 51 5 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 3 4 3 3 5 44 37 32 12 7 3 1 1 2 2 1 1 1 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 0 0; 1HNMR: 77 76 d 1H J 71 \| 74 74 s 1H \| 70 69 s 1H \| 43 42 t 2H J 49 \| 39 39 s 3H \| 38 37 t 2H J 49 \| 34 34 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Nc2cc(Br)cn(C)c2=O)no1	ir: 3 5 2 3 3 3 2 2 3 2 2 2 2 3 2 2 3 4 2 2 3 5 3 5 3 6 17 6 2 6 15 26 100 8 10 9 4 3 21 8 3 1 1 4 7 2 2 9 6 12 6 3 2 2 2 3 3 1 2 3 2 1 3 4 3 2 3 4 3 5 5 7 14 14 5 25 8 1 3 3 2 1 3 3 2 1 4 3 2 3 5 7 2 2 3 3 1 6 4 11 4 2 3 3 1 2 5 4 1 3 7 3 1 3 5 3 0 15 20 3 2 2 7 4 3 6 18 36 4 3 4 3 2 4 10 8 3 6 2 3 61 4 3 4 2 3 16 6 2 4 20 3 2 4 9 8 5 6 6 94 21 2 2 6 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 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 3 2 2 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 3 2 2 2 3 2 2 2 3 3 3 5 3 7 7 3 3 15 13 7 5 4 2 3 4 2 2 3 3 3 2 2 2 2 2 3 2 4 8 13 16 27 13 20 11 2 2 4 3 2 2 4 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 1 2 2 2 1 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; 1HNMR: 83 83 s 1H \| 82 81 p 1H J 11 \| 74 74 d 1H J 13 \| 62 62 s 1H \| 34 34 d 3H J 10 \| 24 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCCOc1ccccc1C(C)=O	ir: 1 2 3 1 1 3 3 2 1 3 7 3 2 2 5 3 0 5 5 4 16 10 12 27 42 29 3 7 8 7 8 5 3 3 5 6 12 17 37 42 17 67 80 78 5 6 3 10 3 8 5 1 3 4 3 2 2 3 2 1 3 4 3 3 8 4 15 14 7 14 29 47 16 9 14 9 6 5 3 3 3 5 5 6 15 5 2 3 4 7 3 2 3 3 2 3 3 2 2 3 5 2 2 3 5 6 4 6 5 3 2 3 4 7 4 3 5 10 9 24 15 9 9 7 16 16 28 8 9 7 6 4 4 4 17 24 53 45 63 10 6 2 2 4 6 11 55 41 16 23 17 28 6 2 5 5 4 4 3 16 20 8 4 2 2 1 2 3 2 1 2 2 2 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 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 2 3 4 2 2 5 5 2 3 3 5 9 15 12 14 13 25 53 29 100 93 20 10 11 5 8 11 6 6 4 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 79 78 dd 1H J 16 80 \| 74 73 td 1H J 16 79 \| 70 70 td 1H J 11 78 \| 70 69 dd 1H J 12 80 \| 59 58 m 1H \| 52 51 ddt 1H J 13 24 163 \| 50 50 m 1H \| 41 41 td 2H J 9 60 \| 26 26 s 2H \| 25 24 dtt 2H J 14 60 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ncc(CCN2C(=O)c3ccccc3C2=O)s1	ir: 5 6 7 5 0 5 5 4 1 2 2 3 5 11 3 5 5 2 2 3 5 2 5 6 4 2 2 2 2 2 2 1 2 4 7 29 5 3 6 24 100 30 17 10 6 2 11 15 4 1 2 2 6 3 1 2 1 1 1 2 2 9 2 4 3 5 4 2 2 2 12 5 1 1 1 2 1 0 1 2 13 4 4 6 1 1 2 6 6 2 3 2 1 3 5 5 11 12 4 3 1 1 3 3 3 14 7 2 1 3 11 9 6 2 2 1 1 1 4 6 26 36 3 3 1 3 11 11 2 3 4 1 19 65 18 2 3 11 11 25 3 1 0 2 2 2 1 2 2 2 1 5 12 15 75 14 19 2 4 12 4 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 2 3 3 2 2 1 3 3 3 1 2 12 11 6 20 72 31 6 2 3 5 1 1 2 1 1 2 2 1 1 2 2 1 4 34 1 1 1 1 1 1 1 2 4 11 44 41 4 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 79 78 dd 2H J 31 51 \| 77 77 dd 2H J 31 51 \| 71 70 t 1H J 9 \| 61 61 s 2H \| 43 43 t 2H J 56 \| 31 30 td 2H J 9 56	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-n2ncc3cc(-c4cc(C(=O)NC5CC5)cc(F)c4C)ccc32)nc(C)n1	ir: 1 2 4 3 1 2 4 2 3 5 10 16 6 5 10 3 4 5 5 2 2 8 9 10 5 5 5 10 4 4 6 3 4 12 9 9 13 12 11 12 44 59 22 5 5 7 4 4 2 4 3 1 2 3 5 5 4 5 3 1 3 5 4 3 4 7 16 44 29 23 17 17 16 6 5 2 3 4 2 2 4 3 3 5 7 4 3 2 4 4 2 5 4 3 2 2 5 8 6 4 6 8 19 6 4 5 1 5 5 8 6 6 12 5 0 3 5 3 2 4 5 2 2 5 10 5 5 5 8 8 18 4 6 7 18 9 17 30 14 20 8 6 17 24 26 8 100 75 10 4 10 28 18 8 9 6 4 5 5 35 12 19 6 6 9 4 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 3 4 4 2 2 3 2 3 4 5 5 6 11 8 12 8 10 9 32 83 17 20 12 7 5 4 3 1 2 5 3 1 3 4 3 2 3 4 3 10 5 6 15 28 17 8 5 3 4 3 2 2 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 83 83 m 2H \| 80 80 d 1H J 21 \| 78 78 ddt 1H J 11 22 77 \| 77 76 m 2H \| 75 74 d 1H J 73 \| 71 71 s 1H \| 31 30 dp 1H J 47 73 \| 26 26 s 2H \| 24 24 m 6H \| 10 9 m 2H \| 7 6 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1ncc2c(n1)N(C)C(=O)N(C(C)(C)C)C2	ir: 2 3 4 4 1 4 4 4 2 4 5 3 3 6 5 2 2 10 7 3 2 3 4 2 1 3 4 2 2 5 8 6 5 9 14 14 55 37 14 8 31 36 28 8 5 2 3 4 3 5 7 24 10 8 8 7 10 17 27 11 4 5 5 4 4 4 3 3 4 4 3 2 3 3 2 2 3 4 3 2 3 3 3 3 3 3 2 2 3 2 2 2 3 3 3 4 3 4 2 2 3 3 4 3 4 3 3 5 7 6 15 65 94 10 5 7 6 11 9 8 10 7 4 5 5 4 5 11 10 10 5 21 31 28 14 15 13 16 18 11 11 25 41 4 3 4 3 3 39 18 14 0 3 64 48 11 10 22 100 34 4 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 3 2 2 3 5 4 4 4 3 2 3 3 3 4 4 4 6 20 31 10 4 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3; 1HNMR: 82 81 d 1H J 9 \| 50 49 d 2H J 9 \| 38 37 s 3H \| 26 25 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.
CC(C)(Cc1ccccc1)C(=O)C(Cc1ccccc1)n1cncn1	ir: 4 3 2 2 3 2 5 5 4 4 4 2 2 2 2 2 6 2 3 6 3 2 1 3 3 1 1 3 3 13 18 25 5 3 3 10 4 3 10 45 84 52 10 0 2 5 8 39 6 10 4 2 2 3 2 1 2 3 2 2 3 3 9 8 8 9 3 3 12 11 3 2 2 3 3 6 4 3 6 3 3 10 4 5 4 3 1 1 4 25 27 6 2 3 10 19 8 6 24 10 4 4 2 3 3 3 1 2 3 4 5 3 2 2 2 3 6 5 2 6 9 10 20 8 6 4 2 5 5 8 7 8 9 6 5 44 8 3 3 3 4 2 10 33 18 9 5 3 2 2 2 9 3 2 2 2 2 1 2 6 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 2 2 2 2 2 2 2 9 3 3 6 7 8 10 4 3 3 7 7 21 66 19 23 100 38 80 4 6 2 3 2 3 2 3 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 85 85 m 1H \| 80 80 d 1H J 16 \| 74 71 m 11H \| 57 56 m 1H \| 31 30 ddt 1H J 8 54 147 \| 29 28 dt 1H J 9 132 \| 28 27 ddt 1H J 9 55 147 \| 27 27 dt 1H J 9 132 \| 13 13 s 2H \| 12 11 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(Oc2nc3ncnn3c3c2cnc2c3cnn2Cc2ccco2)cc1	ir: 5 2 0 2 4 3 3 4 7 2 2 3 3 1 2 2 3 1 4 5 4 3 1 4 3 2 2 3 6 11 11 3 4 3 7 14 6 3 8 9 23 12 12 9 8 3 4 5 8 5 11 15 11 5 27 17 8 1 4 3 4 7 2 3 3 2 4 17 6 3 5 15 34 33 18 18 3 9 7 5 1 1 3 7 20 5 2 4 4 16 12 11 5 4 11 14 6 9 6 4 3 3 4 9 2 4 5 28 14 3 4 5 2 4 4 2 1 4 6 3 3 3 8 3 3 4 7 3 1 13 11 6 2 6 8 11 5 5 4 3 1 3 16 32 20 17 9 8 6 39 4 7 11 7 14 3 3 5 30 9 3 3 2 2 91 5 4 0 1 3 13 2 1 2 1 1 2 7 2 0 1 2 1 1 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 1 4 2 2 2 5 5 3 3 5 5 8 9 11 12 58 56 100 57 19 11 9 4 3 4 6 4 2 3 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 92 91 s 1H \| 84 84 d 2H J 66 \| 75 74 m 2H \| 73 72 t 1H J 16 \| 71 71 m 2H \| 70 70 tt 1H J 13 72 \| 67 66 ddt 1H J 9 17 38 \| 63 63 dd 1H J 16 40 \| 57 56 d 2H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(NCCNc2cc(-c3cccc(C)c3C)nc(N)n2)cc1F	ir: 3 8 9 7 8 7 7 6 7 12 6 12 6 11 0 8 6 8 6 10 6 13 5 7 2 8 9 7 5 3 4 4 6 6 7 13 15 25 26 7 9 10 8 6 4 8 15 8 3 5 4 3 4 7 9 3 3 5 4 3 3 3 5 7 11 23 8 10 12 7 4 8 6 5 3 2 2 3 2 2 3 3 2 2 3 2 2 2 4 4 3 7 3 3 5 4 6 3 3 3 2 3 3 6 3 5 10 5 4 3 3 3 3 4 8 5 5 4 3 3 5 5 7 6 5 6 4 5 4 4 2 4 3 3 4 5 4 6 9 20 24 29 6 13 30 47 39 53 87 18 10 7 8 7 12 7 5 5 3 2 32 7 14 10 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 2 2 2 2 2 2 3 3 2 3 2 3 3 3 3 2 3 3 3 4 7 8 5 32 19 9 5 4 3 3 3 3 3 3 3 3 3 3 3 3 5 11 25 9 9 12 19 21 58 28 29 6 4 16 100 7 4 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 2; 1HNMR: 74 74 dd 1H J 13 84 \| 73 73 dd 1H J 79 86 \| 72 71 m 2H \| 66 66 t 1H J 47 \| 66 65 dd 1H J 22 90 \| 65 64 s 1H \| 64 63 dd 1H J 22 121 \| 59 59 s 2H \| 50 50 t 1H J 47 \| 38 37 q 2H J 49 \| 36 35 q 2H J 49 \| 24 23 d 3H J 7 \| 23 23 dd 3H J 11 35 \| 23 22 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccc(-c2cc(Br)cc(OC3CCC3)c2C#N)cc1	ir: 1 1 1 1 2 1 1 1 1 1 4 2 1 1 2 1 2 2 1 1 4 2 3 6 7 8 8 2 2 2 1 1 1 1 2 4 4 2 1 1 1 1 7 2 2 0 2 2 1 0 2 9 5 4 10 31 25 6 5 1 15 2 8 6 10 10 35 92 10 5 2 3 0 0 2 2 1 1 3 4 2 1 4 5 1 3 3 2 3 2 7 33 3 4 10 5 2 1 3 7 8 12 2 2 2 1 1 1 1 1 2 3 2 7 3 3 2 6 12 4 8 10 2 7 14 2 3 2 3 2 3 3 6 14 15 6 1 1 1 1 0 1 1 3 10 33 5 35 7 10 2 4 10 3 3 3 4 8 19 2 3 1 2 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 2 19 1 0 0 1 1 1 1 0 1 1 0 0 0 0 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 1 1 1 1 0 1 0 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 6 4 8 4 3 5 5 10 25 21 52 58 100 43 7 4 3 1 3 3 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 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: 76 76 m 2H \| 76 75 d 1H J 22 \| 73 73 dt 2H J 9 81 \| 71 71 d 1H J 22 \| 47 46 m 1H \| 27 26 qt 2H J 9 73 \| 21 20 m 2H \| 18 17 m 4H \| 12 12 t 3H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)OCc1ccnc(C(=O)NC2CC2)c1	ir: 10 15 4 8 9 8 11 5 4 3 5 8 3 3 1 2 2 1 1 2 2 1 1 6 2 2 3 4 5 2 2 4 3 21 17 8 5 4 4 4 5 32 56 19 6 0 1 3 2 0 2 2 2 0 1 3 2 7 4 2 2 1 1 2 3 2 2 9 12 17 6 4 6 10 21 23 6 3 4 5 3 1 3 2 3 9 7 15 97 10 9 11 21 6 8 5 1 2 5 8 11 6 9 3 2 2 2 1 0 1 2 1 0 1 3 3 2 3 4 3 6 13 6 4 2 2 3 11 7 8 5 9 7 2 3 2 3 7 100 13 3 5 4 1 2 6 13 2 1 2 4 3 8 6 3 1 1 2 2 2 17 34 2 1 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 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 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 3 1 2 1 1 1 2 2 1 2 2 3 5 4 21 9 5 17 22 14 3 7 5 4 1 2 2 1 1 3 3 2 1 2 2 1 1 2 2 2 15 34 51 17 20 6 3 1 1 2 3 3 2 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0; 1HNMR: 87 86 d 1H J 46 \| 80 79 dt 1H J 8 19 \| 76 75 d 1H J 80 \| 71 71 ddd 1H J 10 21 46 \| 52 52 d 2H J 9 \| 31 30 s 2H \| 29 28 dp 1H J 47 82 \| 10 9 m 2H \| 7 6 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCc1cc(O)cc(Br)c1	ir: 0 2 1 4 3 2 2 1 0 3 3 2 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 2 2 1 1 1 0 0 1 1 0 0 1 1 0 2 2 1 0 0 1 1 0 0 1 1 1 0 1 0 0 1 2 3 2 2 3 4 4 5 4 3 1 1 1 0 0 1 1 1 1 3 18 27 11 8 10 20 12 4 7 12 5 5 5 2 11 1 1 1 1 1 1 1 0 1 0 0 0 2 2 0 0 1 1 1 1 1 1 0 1 1 1 1 1 2 2 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 0 6 4 9 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 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 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 1 1 1 1 1 1 2 2 15 9 4 1 2 1 1 2 28 100 10 3 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 td 1H J 10 21 \| 69 68 t 1H J 21 \| 68 67 s 1H \| 65 65 tt 1H J 8 21 \| 39 38 q 2H J 57 \| 28 27 tt 2H J 9 56 \| 16 16 t 1H J 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)C1(NC(=O)N(C)C1=O)[C@H]1COCC[C@@H]1C2	ir: 3 2 2 2 1 2 3 2 1 3 1 2 2 2 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 9 9 6 1 1 2 2 2 1 2 1 1 2 3 5 2 1 2 2 1 1 2 2 2 1 1 2 2 2 2 2 2 2 2 1 1 1 1 1 1 2 2 1 1 1 2 2 2 2 1 1 2 2 2 1 1 1 2 2 1 2 2 2 2 3 3 2 2 2 2 1 1 2 1 2 4 4 2 2 3 3 6 4 2 2 2 1 1 2 1 1 1 2 2 6 5 1 1 1 1 1 1 1 2 2 2 1 1 3 13 5 2 2 3 3 1 2 18 100 12 2 0 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 1 1 2 2 1 2 4 3 4 6 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 4 5 5 2 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 92 92 s 1H \| 70 69 dt 1H J 9 78 \| 68 67 d 1H J 21 \| 67 67 dd 1H J 22 77 \| 40 40 dd 1H J 26 121 \| 38 37 m 1H \| 38 38 s 3H \| 37 36 ddd 1H J 29 54 110 \| 36 35 ddd 1H J 28 55 110 \| 32 32 s 2H \| 30 29 ddd 1H J 8 41 145 \| 27 26 m 2H \| 19 18 m 2H \| 17 16 dddd 1H J 28 55 66 134	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCNC(=O)c1cc(N2CCCC2=O)ccc1C(=O)N1CCN(c2ncc(C)cc2C)CC1	ir: 2 2 2 6 1 4 4 3 11 5 2 2 3 4 7 7 2 6 3 4 2 7 14 8 7 5 3 3 1 6 5 4 2 2 7 26 25 76 11 9 4 26 6 8 15 14 40 24 4 1 1 2 4 9 12 13 11 5 4 7 8 5 5 4 3 4 7 16 18 4 2 2 2 2 1 0 1 1 1 6 2 3 4 8 2 3 13 7 8 7 1 1 1 1 3 8 4 15 12 4 3 2 1 2 3 5 7 6 2 6 1 7 7 12 2 4 4 9 13 3 7 14 12 12 6 15 23 16 4 10 3 6 5 20 2 2 7 6 24 29 19 7 3 9 3 18 56 75 38 100 28 13 8 11 13 6 2 1 1 3 18 1 1 6 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 1 1 1 1 1 2 3 5 3 3 1 2 2 4 4 9 10 6 15 24 19 6 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 4 7 5 10 11 11 12 3 8 3 2 2 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 79 78 m 3H \| 75 75 dd 1H J 22 82 \| 74 73 t 1H J 51 \| 71 71 m 1H \| 39 38 dd 2H J 36 47 \| 37 36 m 13H \| 34 34 s 2H \| 26 26 t 2H J 54 \| 24 23 d 3H J 8 \| 22 21 s 2H \| 21 20 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC1(O)c2ccccc2-c2ccccc2C1(O)CCCC	ir: 8 10 6 7 3 6 2 3 7 3 4 4 4 3 4 5 2 1 3 3 4 16 2 3 2 2 3 2 2 2 2 3 4 2 2 3 2 3 13 5 8 13 40 3 2 3 3 1 2 3 2 1 1 3 2 1 1 3 2 1 2 2 4 4 2 3 2 3 4 3 3 2 5 6 10 6 7 3 3 6 19 23 32 36 26 27 16 6 4 12 8 13 4 2 4 4 19 10 4 5 6 4 8 3 3 3 3 2 3 3 5 9 7 8 3 10 6 6 0 12 8 5 6 2 2 2 2 2 1 2 3 1 2 2 3 6 32 23 9 3 2 2 4 9 27 5 5 2 1 2 2 2 10 9 1 2 1 1 1 2 2 1 1 1 1 1 1 1 3 4 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 2 1 1 2 2 2 1 2 1 1 2 1 2 4 2 3 2 3 4 3 2 4 3 4 3 4 6 9 8 14 10 25 53 23 7 7 5 5 19 100 96 12 5 3 4 3 4 2 2 2 2 1 2 2 1 1 1 1 1 1 2 1 2 2 2 2 2 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 dd 2H J 13 67 \| 75 74 dd 2H J 14 68 \| 74 73 dtd 4H J 14 66 238 \| 35 35 d 2H J 59 \| 23 22 ddt 2H J 84 145 279 \| 21 19 ddt 2H J 84 143 278 \| 17 15 m 2H \| 15 13 m 7H \| 9 9 t 6H J 69	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1OCCN(C)CCCN	ir: 3 2 2 2 1 3 3 3 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 2 2 1 3 77 74 17 6 7 8 20 6 2 3 6 2 0 1 4 1 1 2 5 12 13 6 3 2 1 2 2 1 3 4 5 4 13 15 6 2 1 2 2 1 10 2 4 3 5 4 3 4 10 3 2 1 1 2 2 1 2 2 1 2 1 2 2 1 1 1 1 0 1 1 1 1 2 1 1 0 1 3 2 2 2 2 3 5 4 3 3 3 3 7 11 22 25 13 9 5 8 7 2 2 3 7 4 1 1 1 4 9 3 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 2 1 1 0 0 1 1 1 1 3 2 2 3 29 21 1 1 1 0 0 1 1 1 1 3 7 10 22 23 13 10 3 4 5 3 33 100 2 3 4 4 2 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 70 68 m 4H \| 42 41 t 2H J 63 \| 39 38 s 2H \| 29 28 t 2H J 63 \| 28 27 tt 2H J 53 65 \| 26 25 t 2H J 57 \| 24 23 s 2H \| 17 16 p 2H J 55 \| 14 13 t 2H J 65	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1C(=O)c2ccccc2C2=C1SCC1(CCN(C(=O)c3cccc(C(F)(F)F)c3)CC1)O2	ir: 7 5 2 3 6 5 3 4 4 3 2 2 2 3 1 2 6 2 4 7 5 7 15 17 12 3 4 2 3 3 3 4 5 7 5 6 16 7 13 12 5 8 100 5 4 6 4 7 31 5 2 2 4 14 4 3 5 3 3 3 2 2 2 3 3 4 4 3 4 3 4 3 3 8 2 3 3 4 4 3 3 3 3 3 3 6 5 3 2 2 2 2 3 2 5 12 13 6 7 13 4 3 3 3 1 2 3 3 1 4 6 11 29 22 7 6 0 4 27 17 13 28 4 5 9 4 14 27 24 9 6 7 4 4 7 9 21 15 12 14 8 9 4 2 3 4 9 31 50 20 21 3 4 4 4 2 3 2 2 2 2 1 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 3 3 8 4 3 3 4 4 2 4 6 34 6 12 51 45 12 4 2 7 4 3 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 80 dd 1H J 14 80 \| 80 80 t 1H J 21 \| 78 76 m 4H \| 76 75 m 2H \| 39 38 ddd 2H J 35 62 125 \| 35 34 ddd 2H J 35 62 126 \| 33 33 s 2H \| 23 22 ddd 2H J 36 63 136 \| 21 20 ddd 2H J 35 62 134	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)N1CCC(CC(=O)c2cccc(C)c2)CC1	ir: 15 21 24 14 36 14 3 27 14 13 22 14 15 10 1 2 2 3 2 2 2 3 3 5 2 2 3 4 11 8 16 23 36 20 5 8 6 9 5 2 2 3 6 15 8 19 47 28 2 1 2 2 3 14 6 2 2 6 11 1 3 2 2 3 5 3 2 8 7 12 3 14 16 22 9 8 3 3 6 8 10 2 2 2 1 2 6 3 3 8 28 12 2 2 1 1 2 3 6 5 8 4 3 2 6 6 6 24 31 69 13 6 13 22 7 6 3 10 6 15 31 77 38 16 15 18 7 16 12 43 14 4 4 8 18 45 15 34 45 46 26 10 9 11 77 34 4 4 2 9 22 67 8 2 2 5 3 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 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 3 6 2 3 6 12 13 15 8 8 7 9 5 12 25 15 26 26 100 31 14 11 2 4 3 2 2 2 3 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 78 ddd 1H J 14 21 75 \| 77 77 t 1H J 21 \| 73 73 t 1H J 76 \| 73 72 dddd 1H J 8 15 22 79 \| 41 40 q 2H J 65 \| 37 36 m 2H \| 34 33 m 2H \| 30 29 m 2H \| 24 23 d 3H J 8 \| 21 20 m 3H \| 18 17 m 2H \| 12 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)[C@@]1(F)[C@@H]2C[C@@H](OCc3ccc(F)cc3)[C@@](N)(C(=O)OCc3ccccc3)[C@@H]21	ir: 6 6 21 13 10 3 7 8 4 9 2 13 6 15 10 7 8 4 6 5 9 4 7 2 1 2 2 2 5 8 12 7 12 4 2 2 4 5 7 15 11 5 5 7 13 5 6 9 4 9 4 5 13 5 7 6 9 13 14 3 24 40 47 29 23 6 24 33 32 24 17 5 4 11 14 12 23 25 6 2 12 33 22 11 4 32 18 13 8 11 5 3 4 5 7 54 11 11 10 4 5 3 2 4 10 10 5 3 3 2 2 8 5 8 6 5 6 11 23 7 20 7 14 9 15 11 7 13 21 42 13 100 18 9 14 21 7 1 4 5 7 9 25 40 48 36 16 21 16 5 4 16 7 4 3 4 3 1 1 1 1 2 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 2 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 2 2 1 1 3 2 1 1 3 3 3 3 5 3 3 4 5 4 1 28 24 32 80 34 11 7 4 3 4 7 5 4 4 2 1 16 25 40 15 8 11 22 5 5 20 13 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 74 73 m 7H \| 72 71 m 2H \| 55 54 s 2H \| 51 51 s 2H \| 46 46 dt 1H J 9 119 \| 45 45 dt 1H J 8 117 \| 44 42 m 3H \| 32 31 dd 1H J 10 50 \| 24 23 dddd 1H J 15 51 64 79 \| 21 21 dddd 1H J 31 49 60 142 \| 19 18 ddt 1H J 30 79 140 \| 12 12 t 3H J 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(OC)cc(C(C)C(=O)O)c1	ir: 1 1 1 2 4 7 3 1 3 2 0 2 5 3 1 14 4 5 7 29 40 100 36 23 13 9 4 2 2 2 3 2 2 1 1 0 1 1 1 1 1 2 1 1 0 1 1 0 1 1 1 1 1 2 1 1 1 1 1 0 0 1 2 5 8 23 24 17 11 2 7 4 2 2 6 3 7 5 24 27 4 3 2 2 4 2 5 6 3 1 1 3 1 12 6 3 6 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 2 5 1 6 1 2 4 4 4 5 4 3 2 2 3 2 1 3 2 3 2 1 0 1 1 1 1 2 2 2 5 14 6 23 4 2 1 1 1 1 0 0 0 0 0 1 1 2 14 4 5 0 1 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 1 1 2 2 3 2 4 7 2 12 49 16 4 2 2 1 0 1 1 5 24 2 2 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 67 66 dd 2H J 7 22 \| 64 64 t 1H J 22 \| 38 38 qd 1H J 9 68 \| 38 38 s 5H \| 15 15 d 3H J 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)C(O)/C(=C\c1ccc(Cl)cc1Cl)n1cncn1	ir: 1 2 0 1 1 1 2 1 3 6 2 2 1 2 2 2 3 7 1 1 1 1 1 2 1 0 1 2 5 2 0 38 51 7 5 0 0 2 1 1 2 2 1 2 5 2 1 5 2 1 1 2 14 18 3 15 10 2 2 1 5 40 32 13 19 8 6 11 4 8 2 2 1 3 3 1 1 3 2 3 2 2 3 7 5 7 4 9 12 6 2 4 14 2 2 2 2 9 100 10 2 2 2 6 3 1 0 1 1 1 0 1 1 1 2 6 4 4 2 6 15 24 6 10 3 3 2 5 12 6 10 28 4 1 1 1 0 1 1 1 4 1 1 0 0 0 1 2 7 1 1 5 1 1 1 0 2 5 2 0 0 1 0 0 0 0 0 1 4 4 1 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 1 0 0 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 1 5 7 2 2 2 2 1 1 2 3 3 1 14 26 39 27 50 26 16 90 26 3 2 3 6 24 5 1 1 1 1 1 0 0 0 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 16 \| 81 81 d 1H J 16 \| 76 76 d 1H J 20 \| 75 75 d 1H J 90 \| 74 74 dd 1H J 20 90 \| 71 71 d 1H J 11 \| 48 47 ddt 1H J 14 27 67 \| 41 41 d 1H J 66 \| 10 10 d 9H J 15	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(OCCC(C)(C)O)c1	ir: 1 2 1 1 2 1 0 1 1 1 0 1 2 1 1 1 1 0 0 1 1 0 2 2 1 0 0 1 1 2 2 1 0 0 0 0 0 0 1 0 0 0 0 1 1 1 7 4 1 0 0 1 0 0 0 1 0 0 0 4 2 3 4 5 1 1 1 2 2 2 3 4 3 0 1 3 1 1 13 26 16 4 2 1 1 0 1 1 1 3 2 1 1 2 4 3 3 5 1 1 1 1 2 2 2 3 4 1 1 1 1 1 1 1 2 1 0 1 1 1 1 1 1 0 1 1 1 3 1 1 2 1 0 1 1 1 1 1 1 1 3 4 1 0 0 1 0 0 0 0 0 1 6 1 1 8 6 1 1 0 9 2 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 2 2 4 3 1 2 1 1 1 1 2 3 7 16 8 4 5 25 5 2 3 1 3 5 11 100 16 8 5 2 1 1 1 1 1 2 3 3 4 1 2 2 1 1 1 1 1 2 2 2 2 1 1 1 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 t 1H J 78 \| 69 68 ddd 1H J 13 22 79 \| 68 68 m 1H \| 68 67 t 1H J 21 \| 41 41 t 2H J 69 \| 33 33 s 1H \| 23 23 t 3H J 6 \| 20 19 t 2H J 70 \| 13 12 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Br)cc1C(C)(C)O	ir: 28 15 7 10 18 36 12 30 32 24 26 10 2 5 4 3 1 5 5 6 4 4 4 3 8 8 4 1 1 3 3 1 1 3 3 2 5 8 8 1 2 4 2 3 3 4 7 4 3 3 3 3 9 59 12 4 4 4 5 1 3 4 6 2 4 3 7 9 5 7 1 1 3 4 1 2 10 19 3 2 3 6 2 7 8 33 29 8 4 4 4 3 5 5 6 7 11 14 6 11 14 5 2 1 2 2 1 3 6 4 8 22 6 3 1 2 4 5 1 6 4 4 1 4 6 4 5 8 11 4 4 3 2 1 1 2 2 1 1 2 3 1 3 12 17 1 1 3 5 20 36 3 3 10 9 5 2 1 1 2 2 2 4 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 0 1 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 2 2 3 2 0 1 2 2 1 2 5 5 4 17 14 24 2 23 7 5 4 10 97 100 13 3 2 2 1 2 2 1 1 2 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 0 1 2 1 1 1 2 1 0 1 3 2 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 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 75 74 m 1H \| 74 74 s 1H \| 68 68 dt 1H J 10 81 \| 53 53 s 1H \| 38 38 s 3H \| 16 16 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C(C)(C)CBr)c(Cl)nn1	ir: 5 9 6 3 0 4 5 3 19 10 18 3 2 10 9 3 2 4 12 15 12 6 5 2 2 3 4 6 2 4 4 3 5 5 4 2 7 43 11 4 3 5 4 3 8 10 6 3 3 4 5 2 4 5 3 1 3 4 3 4 4 13 17 24 15 4 9 29 40 34 7 4 36 42 17 4 6 7 6 2 4 5 3 2 5 4 2 3 6 11 15 9 4 4 2 3 5 5 9 11 8 6 3 3 6 8 6 4 6 8 4 10 19 6 2 5 19 23 5 12 15 5 6 11 9 12 16 12 19 14 14 39 70 43 29 14 16 3 2 7 6 4 35 18 6 7 3 3 3 2 2 3 3 2 2 4 4 4 4 32 26 35 17 8 4 0 2 5 3 0 2 5 3 0 2 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 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 2 4 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 3 4 2 3 5 10 7 5 6 6 13 11 10 11 9 20 10 9 21 53 20 16 87 100 12 6 4 5 5 2 2 3 4 3 2 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 2 3 3 2 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4; 1HNMR: 73 73 s 1H \| 37 36 s 2H \| 24 24 s 3H \| 16 16 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)c1ccc(-c2nnc3ccc(Cl)nn23)cc1	ir: 3 3 3 3 3 3 3 3 4 5 3 3 4 13 8 6 5 4 5 10 3 3 3 3 3 3 3 3 4 3 3 8 14 4 3 3 3 3 4 3 6 7 3 3 3 3 3 3 4 3 5 62 6 5 31 17 28 12 9 5 5 5 3 3 3 3 4 3 9 3 9 3 3 4 3 3 3 3 3 3 3 5 4 3 3 5 4 3 5 18 4 4 3 3 7 5 6 5 6 9 11 3 3 3 3 4 19 4 10 7 8 10 31 7 1 7 5 3 1 5 4 5 3 4 5 5 8 4 18 8 8 4 3 3 2 3 4 3 4 26 4 2 2 3 3 2 3 4 4 3 7 47 5 6 5 3 3 3 3 3 3 3 3 3 3 3 3 2 4 0 3 4 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 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 3 2 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 4 3 3 3 3 3 4 8 13 68 100 11 27 8 4 6 5 5 3 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3; 1HNMR: 82 82 m 2H \| 81 80 d 1H J 95 \| 78 77 dq 2H J 13 110 \| 74 74 d 1H J 93	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1cc(Cl)ccc1Cl	ir: 2 2 2 2 5 2 3 6 1 1 2 1 1 2 2 1 1 1 1 1 1 4 2 1 2 1 2 1 0 1 1 1 1 2 2 1 2 1 1 1 2 2 2 0 1 1 1 0 1 2 1 2 4 16 16 1 1 3 4 1 1 2 1 1 4 6 7 13 13 14 3 2 2 4 2 1 1 1 1 1 2 2 1 1 3 8 7 2 4 2 2 3 2 5 9 6 2 2 1 4 2 1 1 1 1 1 1 2 1 1 0 1 1 1 0 1 3 1 1 2 13 7 5 7 4 3 1 4 2 1 1 3 5 5 3 4 2 2 3 1 1 1 1 1 1 1 11 8 10 14 3 5 2 4 1 2 1 0 2 1 2 1 1 2 1 1 1 4 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 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 1 1 3 2 2 5 6 18 61 30 9 5 5 3 3 3 100 27 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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: 85 85 d 1H J 22 \| 81 81 dd 1H J 22 90 \| 78 77 d 1H J 89 \| 77 77 d 1H J 21 \| 77 77 s 1H \| 76 76 d 1H J 87 \| 76 75 dd 1H J 22 88 \| 75 74 m 1H \| 74 74 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(/C=C/C(c2c3c(nn2-c2ccc(Cl)cc2)CCCC3)C2CCCCC2)cc1	ir: 4 2 5 4 14 3 2 1 2 4 10 4 6 9 23 30 13 3 3 1 0 1 2 1 0 1 0 2 2 1 2 1 1 0 4 1 3 1 1 1 1 4 1 1 2 1 1 1 1 0 7 13 9 5 36 32 17 2 6 2 1 4 6 4 1 1 1 0 6 8 5 2 1 1 2 10 13 12 17 4 4 1 1 1 1 2 2 7 3 1 2 1 0 1 5 3 0 1 2 2 1 2 7 8 8 4 2 3 2 5 4 6 5 6 12 18 13 11 7 5 3 5 6 12 4 20 8 11 7 2 3 3 3 9 15 18 3 3 1 2 1 2 6 100 8 10 5 4 5 11 4 8 20 4 2 0 1 1 1 1 2 0 0 1 0 1 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 1 1 0 1 1 1 3 4 2 2 3 4 5 5 5 10 37 9 49 81 60 18 6 3 3 4 2 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 m 2H \| 75 74 m 6H \| 67 66 dq 1H J 10 154 \| 62 61 ddd 1H J 17 92 154 \| 39 39 s 2H \| 35 35 td 1H J 10 91 \| 30 30 m 1H \| 30 29 m 1H \| 28 27 m 2H \| 23 22 dpd 1H J 18 55 90 \| 19 18 m 4H \| 17 16 m 2H \| 16 15 m 1H \| 16 15 m 1H \| 15 14 m 1H \| 15 14 m 1H \| 14 13 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOC(=NC(C)Cc1ccc(OC)c(OC)c1)C(=O)c1ccccc1	ir: 1 2 2 2 1 1 2 2 2 1 1 1 2 2 1 1 0 1 1 1 3 1 2 3 2 3 2 1 1 1 1 4 4 2 4 7 14 21 3 3 3 3 1 1 5 6 2 0 1 1 1 0 2 9 18 9 1 1 1 0 1 2 5 1 4 3 6 9 10 7 3 3 2 2 4 3 2 1 1 1 1 1 1 3 1 1 2 2 2 3 9 3 10 6 3 1 2 1 2 3 7 10 2 2 0 1 1 1 4 3 2 4 2 3 7 4 7 12 7 8 1 2 5 1 3 3 2 1 4 2 1 1 1 2 3 4 0 0 0 0 0 1 4 13 6 6 4 5 8 10 10 3 1 6 5 1 1 1 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 1 1 1 1 1 1 2 2 8 10 18 100 22 8 6 2 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 m 2H \| 76 75 m 3H \| 68 68 m 2H \| 67 66 dt 1H J 8 18 \| 43 42 td 2H J 7 60 \| 43 41 p 1H J 81 \| 39 38 d 6H J 22 \| 30 29 ddt 1H J 9 82 124 \| 28 27 ddt 1H J 9 82 123 \| 17 16 tt 2H J 61 71 \| 15 14 h 2H J 70 \| 12 11 d 3H J 81 \| 10 9 t 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOc1ccc(CO)cc1OCCOC	ir: 7 5 1 3 5 3 3 2 5 4 2 5 7 6 1 5 5 5 4 5 7 6 8 3 4 3 2 3 2 1 1 3 4 2 1 4 4 5 2 3 4 5 10 8 4 2 2 4 3 2 4 6 16 22 25 7 10 8 7 5 7 15 6 3 6 4 10 9 22 18 12 8 9 8 3 6 3 3 8 9 13 3 12 31 100 29 31 38 29 13 20 15 7 6 9 6 6 2 3 3 2 3 3 2 2 2 3 1 1 2 3 6 8 4 3 2 0 2 4 4 2 4 4 5 7 7 7 5 3 4 3 1 1 2 2 1 1 2 2 1 1 2 3 13 3 2 2 1 2 18 13 3 4 11 10 1 1 2 1 0 1 3 3 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 1 1 1 1 1 0 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 2 4 4 6 2 3 5 3 3 1 3 8 20 15 36 45 24 10 4 3 2 2 6 23 17 3 3 2 1 0 2 2 1 1 2 2 1 1 2 2 3 3 4 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0; 1HNMR: 69 68 m 3H \| 45 44 dt 2H J 9 56 \| 43 42 dt 4H J 49 69 \| 38 37 t 4H J 49 \| 34 34 s 6H \| 27 27 t 1H J 56	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOc1cccc(C)c1C	ir: 2 2 2 1 3 3 4 3 1 4 3 2 1 5 3 2 2 4 5 2 1 1 1 1 0 1 1 1 1 5 3 4 2 3 3 6 2 1 1 0 1 3 3 5 5 38 43 40 9 2 7 18 13 10 4 6 1 2 3 1 9 7 4 3 7 11 19 17 8 7 3 6 5 3 4 7 18 10 19 9 8 5 6 1 1 1 1 1 1 1 4 6 7 19 17 14 4 2 0 1 2 2 1 8 7 4 1 2 2 1 1 1 3 5 4 2 3 5 3 5 3 3 3 4 2 2 1 2 2 2 1 1 1 1 1 1 2 5 12 8 11 10 2 2 1 0 1 2 2 1 4 5 2 0 2 8 26 24 11 6 2 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 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 3 3 2 3 5 3 1 4 5 4 3 4 8 13 8 14 24 14 100 68 29 3 4 3 1 5 3 3 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 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 1 0 0 1 1 0 1 1; 1HNMR: 70 70 t 1H J 79 \| 67 67 ddd 2H J 10 68 78 \| 42 41 t 2H J 49 \| 37 36 t 2H J 49 \| 34 34 s 3H \| 22 22 d 3H J 7 \| 21 21 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(Br)cnc(OCCN2CCN(C)CC2)c1Cl	ir: 4 3 1 2 2 4 4 2 6 4 3 4 8 11 2 2 2 25 10 7 2 3 2 7 6 5 3 1 1 1 1 1 2 2 1 0 2 4 62 10 3 1 1 1 1 1 1 1 8 0 1 9 3 4 1 6 9 6 8 12 2 2 1 8 10 2 6 3 3 4 2 4 3 12 6 7 4 3 14 39 100 14 11 7 10 73 9 3 8 2 4 1 2 2 9 25 16 17 7 9 12 17 7 3 1 1 1 0 1 1 1 2 1 3 2 4 40 14 4 2 4 3 3 2 2 2 14 26 17 25 6 3 3 3 2 6 2 1 1 0 0 0 0 0 0 5 2 27 1 0 0 0 0 1 2 6 17 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 2 2 0 3 4 3 1 2 1 1 2 3 3 4 4 2 3 3 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 s 1H \| 44 43 t 2H J 68 \| 30 29 t 2H J 68 \| 27 27 m 4H \| 27 26 m 4H \| 24 24 s 3H \| 24 23 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1c2ccc(-c3nnn[nH]3)n2CCN1C(=O)c1cc2ncc(Cl)cn2n1	ir: 3 5 5 2 2 20 4 2 2 5 1 2 2 2 2 2 4 7 12 7 18 52 17 8 5 5 2 2 3 6 8 8 2 2 8 3 2 4 1 2 2 2 3 14 21 22 19 8 11 8 3 3 3 4 3 4 3 6 24 5 8 5 5 5 11 4 11 18 4 2 4 6 21 39 21 8 3 4 2 2 3 6 4 2 2 2 3 10 3 15 3 10 5 10 4 10 2 4 3 6 12 15 26 7 4 4 5 7 2 3 3 4 3 7 5 5 3 8 5 2 5 11 94 11 4 10 6 20 39 31 8 4 4 7 3 6 3 14 1 7 4 2 14 87 15 4 5 1 5 33 13 9 65 11 9 8 4 5 3 2 2 100 4 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 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 1 1 1 2 1 1 1 2 2 1 1 2 2 1 2 2 2 1 2 4 3 1 4 5 3 7 4 5 6 7 9 8 13 43 43 46 9 3 6 3 2 1 2 2 1 1 2 2 1 2 2 3 2 3 6 8 13 38 10 14 3 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1; 1HNMR: 91 91 d 1H J 13 \| 84 84 d 1H J 14 \| 69 69 s 1H \| 66 65 d 1H J 81 \| 64 63 m 1H \| 48 47 q 1H J 62 \| 44 43 m 2H \| 40 40 ddd 1H J 19 39 114 \| 39 38 ddd 1H J 20 39 114 \| 14 14 d 3H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CON=C1CCN(C(=O)OC(C)(C)C)C1	ir: 6 8 12 11 10 12 9 10 11 14 10 10 8 8 7 7 7 7 7 6 6 7 7 6 7 8 7 6 6 7 7 6 7 7 7 6 6 7 9 9 7 7 7 8 8 7 7 6 7 9 7 6 7 7 7 6 7 8 7 6 11 9 11 7 7 7 7 6 7 7 7 7 8 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 8 8 9 7 6 7 7 7 7 7 8 7 6 7 8 7 7 7 14 13 6 8 8 7 10 17 24 14 13 8 9 9 14 13 12 9 8 10 8 9 9 11 14 11 6 7 7 6 6 7 7 6 6 7 8 6 20 22 9 0 49 1 100 4 6 8 7 6 6 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 7 7 7 6 6 7 7 6 7 7 7 8 7 7 8 9 8 8 8 7 8 8 9 14 18 13 9 7 7 7 7 6 7 7 7 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 7 7 7 6 7 7; 1HNMR: 41 40 d 2H J 8 \| 40 39 s 3H \| 37 36 t 2H J 36 \| 29 28 t 2H J 35 \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccc(C(N)=O)c1	ir: 7 5 3 5 3 2 1 3 4 2 1 3 5 2 2 3 3 4 7 3 4 13 1 3 3 5 4 8 14 6 27 10 18 10 5 6 6 9 29 46 23 26 4 6 4 2 2 5 5 5 2 4 2 0 2 4 2 1 3 4 3 8 6 3 2 4 12 9 3 1 4 7 4 4 3 4 2 3 9 6 4 1 3 3 2 5 3 3 1 1 3 3 3 11 8 4 3 2 3 4 1 2 4 3 2 3 10 5 2 3 6 7 1 3 4 3 2 4 8 3 4 5 6 4 6 13 8 5 5 11 18 13 6 4 4 1 1 7 16 3 5 4 5 8 14 10 28 9 6 26 18 2 2 5 11 4 6 29 20 100 7 7 3 0 1 4 2 0 2 3 2 0 2 3 2 1 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 2 1 2 3 1 1 3 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 3 2 3 6 16 7 22 27 27 19 5 3 3 2 2 4 2 2 3 3 2 2 3 4 14 40 3 3 2 2 3 22 42 6 6 6 5 46 96 3 4 3 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 86 86 dd 1H J 21 45 \| 83 82 t 1H J 21 \| 80 80 dd 1H J 21 80 \| 79 78 ddd 1H J 11 21 77 \| 77 76 t 1H J 78 \| 76 75 ddd 1H J 12 22 79 \| 74 73 m 3H \| 69 68 m 3H \| 55 55 d 1H J 79 \| 52 51 dt 1H J 66 79 \| 33 32 ddt 1H J 8 64 148 \| 30 30 ddt 1H J 9 66 150 \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)O[C@H]1CC[C@H]2[C@@H]3[C@H](CCCCCO)Cc4cc(OC5CCCCO5)ccc4[C@H]3CC[C@]12C	ir: 7 4 5 7 6 6 4 2 3 1 2 3 4 4 3 3 5 5 5 6 13 4 3 3 3 1 3 3 6 4 2 2 1 1 1 2 2 2 3 3 3 1 2 2 1 2 2 4 4 7 3 9 9 6 25 19 4 4 3 5 8 5 4 3 4 8 10 13 27 5 8 10 5 7 7 15 11 10 2 44 5 3 10 4 9 21 40 30 17 10 36 12 6 5 15 7 3 7 5 9 19 18 7 4 5 6 6 5 2 11 14 7 4 5 10 9 3 10 6 10 5 11 19 8 7 5 6 9 9 7 3 2 2 2 3 2 2 2 3 2 1 3 3 0 100 6 1 3 2 2 4 16 7 2 20 4 2 2 1 1 1 1 5 3 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 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 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 3 2 2 4 5 3 6 8 5 11 6 7 10 5 7 4 31 29 26 16 45 23 11 5 4 2 1 5 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 70 70 dd 1H J 6 88 \| 69 68 dd 1H J 22 88 \| 67 67 dt 1H J 8 20 \| 54 54 t 1H J 36 \| 47 46 ddt 1H J 16 32 49 \| 39 39 ddd 1H J 37 60 111 \| 37 36 m 1H \| 36 36 s 1H \| 36 35 d 1H J 58 \| 29 29 ddd 1H J 8 49 143 \| 27 27 t 1H J 59 \| 27 26 ddd 1H J 9 77 141 \| 25 24 tddd 1H J 7 26 45 68 \| 21 20 m 1H \| 21 17 m 6H \| 20 20 s 2H \| 18 17 s 1H \| 18 17 m 1H \| 17 16 m 1H \| 17 16 m 1H \| 16 16 dt 1H J 21 50 \| 16 16 m 1H \| 16 15 m 1H \| 16 15 m 4H \| 15 15 m 2H \| 15 14 m 1H \| 14 12 m 6H \| 9 9 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(CBr)C(=O)O	ir: 11 10 10 10 10 10 10 10 10 11 11 13 12 11 10 10 10 11 13 11 10 11 18 32 11 10 10 10 10 10 10 10 11 11 11 11 10 11 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 10 10 10 10 17 10 11 11 13 32 11 10 10 10 10 10 10 10 10 11 10 10 10 11 14 11 10 10 10 10 10 10 11 12 12 11 10 11 10 10 10 10 10 10 10 10 11 11 10 10 10 11 11 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 23 15 11 10 10 10 10 10 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 10 10 10 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 10 10 10 11 10 10 10 11 10 10 10 11 11 10 10 11 10 10 11 14 11 10 12 12 10 8 10 13 11 13 11 16 9 0 100 75 13 16 10 7 11 12 9 9 11 11 10 9 11 11 10 10 11 11 10 10 11 11 10 10 11 10 10 10 11 11 10 10 11 10 10 10 11 10 10 10 11 10 10 10 11 10 10 10 11 10 10 10 11 10 10 10 11 10 10 10 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10; 1HNMR: 61 61 dt 1H J 16 29 \| 59 58 dt 1H J 12 26 \| 41 41 t 2H J 14	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCCSSCCN	ir: 6 9 1 5 2 3 1 2 2 4 9 3 3 2 4 2 1 1 1 2 2 1 1 3 7 18 43 26 19 8 4 4 1 3 2 2 6 4 3 5 9 17 5 3 4 0 1 4 4 9 23 34 26 15 3 2 2 2 3 1 3 2 4 5 4 4 8 4 5 3 15 19 52 44 14 2 4 4 7 7 7 31 34 0 2 2 1 0 3 3 1 2 2 2 2 3 2 3 2 3 4 8 30 13 9 10 3 3 2 5 4 1 5 2 4 3 7 5 10 9 6 16 2 4 13 23 7 23 10 11 13 8 8 29 31 12 5 3 4 2 3 3 6 19 35 48 30 12 19 14 46 8 2 1 0 2 1 1 1 1 1 1 1 1 0 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 0 0 1 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 1 0 1 0 1 0 1 1 0 0 0 0 0 0 1 1 0 0 0 1 0 1 1 1 1 0 1 1 1 1 2 2 1 3 6 3 2 4 3 4 3 3 2 2 5 4 32 12 17 2 2 1 1 2 2 1 1 1 1 1 1 3 5 4 12 58 17 11 8 3 1 11 31 100 46 21 24 11 7 4 3 2 2 0 0 1 1 0 1 1 1 0 0 1 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 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 0 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 55 55 t 1H J 38 \| 35 34 q 2H J 40 \| 31 30 tt 2H J 37 61 \| 29 28 t 2H J 40 \| 28 28 t 2H J 37 \| 22 21 t 2H J 60 \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CC(NC(=O)Nc2cccc3[nH]ncc23)c2ccc(F)cc2O1	ir: 1 1 2 2 2 1 1 3 5 2 1 2 2 9 3 1 3 2 4 1 1 2 2 2 2 12 4 4 3 4 12 5 8 2 3 2 2 3 2 3 7 20 31 7 13 5 4 10 43 4 3 3 2 8 8 1 1 2 2 1 1 2 4 1 3 4 9 27 2 2 2 5 1 1 1 1 2 2 2 3 2 3 2 2 1 5 8 1 1 2 2 2 3 3 5 7 3 4 6 3 2 2 2 2 4 2 2 1 4 10 7 19 4 5 4 3 1 2 2 2 3 3 3 1 2 3 4 2 2 6 11 4 1 2 2 2 1 2 4 6 2 4 3 3 2 2 2 3 3 7 100 21 18 6 1 3 3 1 2 6 19 31 7 0 2 3 2 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 2 3 3 4 8 6 4 31 32 4 3 4 2 1 1 2 2 1 2 2 2 2 2 2 2 3 2 3 3 11 14 37 43 18 15 5 3 2 4 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 s 1H \| 85 85 s 1H \| 77 76 dd 1H J 14 78 \| 74 74 dd 1H J 15 89 \| 74 73 m 2H \| 69 68 ddd 1H J 22 81 104 \| 66 66 m 2H \| 53 53 m 1H \| 24 23 dd 1H J 51 141 \| 21 21 dd 1H J 51 141 \| 14 14 s 3H \| 13 13 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C/C(=C\n1c2c(c3cc(C(C)(C)C)ccc31)CN(C)CC2)c1ccncc1	ir: 9 6 2 2 1 1 1 3 6 4 5 7 8 7 4 4 4 12 9 5 5 2 4 2 11 5 3 1 0 3 7 6 10 14 12 8 3 2 2 1 3 4 4 4 6 5 3 2 3 4 2 8 6 3 17 11 3 4 1 2 4 11 25 18 14 2 18 24 58 48 29 22 24 12 18 15 6 10 3 34 22 55 8 3 1 2 4 6 14 11 9 2 6 1 1 2 7 13 12 3 2 2 2 1 1 2 1 3 1 5 12 71 39 29 10 6 8 6 7 6 7 9 14 14 8 3 7 2 2 6 2 4 7 23 16 4 1 1 1 2 2 10 4 2 16 5 9 30 13 10 4 4 6 7 4 8 4 22 20 5 3 5 4 19 4 4 2 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 2 4 2 1 2 1 1 4 2 2 3 4 7 21 29 32 56 100 56 8 13 7 3 3 3 1 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 m 2H \| 77 76 q 1H J 13 \| 75 75 d 1H J 24 \| 73 73 d 1H J 75 \| 72 72 m 3H \| 39 38 s 2H \| 31 30 dd 2H J 38 47 \| 28 28 m 2H \| 24 24 s 3H \| 22 21 d 3H J 13 \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(NC(=O)c1cc(-c2ccc(N)cc2)no1)C(=O)OC	ir: 10 10 10 8 5 6 2 5 5 3 2 3 14 4 2 3 5 5 1 3 3 2 1 10 37 5 3 6 2 1 1 3 3 2 6 3 3 2 2 3 2 1 2 2 2 2 3 5 6 2 3 3 5 13 17 15 10 5 4 5 8 2 2 3 1 0 1 3 3 2 4 11 28 18 7 6 5 10 7 4 2 1 2 3 2 1 2 3 3 4 4 5 1 1 3 3 15 13 4 3 0 1 3 2 0 2 9 2 0 1 2 3 1 4 14 4 1 2 5 2 0 2 3 2 1 5 6 3 4 2 3 3 13 5 4 1 1 2 7 7 4 5 6 100 37 9 6 2 4 6 2 5 9 15 9 9 12 10 28 17 5 3 3 2 13 13 2 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 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 0 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 5 4 5 9 5 10 12 10 13 7 10 19 3 2 3 1 1 2 3 3 2 2 3 1 35 10 4 7 7 26 20 18 14 8 8 8 18 16 9 3 1 3 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 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 93 93 s 1H \| 77 76 m 2H \| 74 74 s 1H \| 69 68 m 2H \| 59 59 d 1H J 27 \| 58 58 d 1H J 27 \| 45 45 s 2H \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCCC1C(=O)Nc1c(C(N)=O)oc2ccc(Br)cc12	ir: 3 3 3 2 1 3 4 4 6 10 3 3 4 1 10 2 2 14 10 6 2 6 39 14 8 3 1 1 2 1 1 1 1 1 2 2 3 1 1 2 2 4 8 7 4 2 2 2 2 3 3 16 23 16 47 11 9 9 10 14 4 4 3 2 3 1 2 3 2 4 2 1 1 1 2 1 7 1 2 2 4 1 2 1 1 1 1 1 2 1 2 3 1 1 2 10 4 6 2 1 2 1 1 1 1 2 5 2 2 4 13 11 2 2 1 2 1 2 2 5 5 4 4 2 2 3 1 2 3 2 5 23 5 3 1 1 2 1 1 3 20 3 5 2 1 1 1 8 6 5 54 32 1 3 5 2 2 6 10 100 5 4 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 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4 3 2 13 4 5 7 7 5 5 2 1 1 1 1 1 1 1 1 1 1 1 1 2 14 2 3 1 10 3 39 16 2 2 2 2 3 33 1 2 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 95 95 s 1H \| 79 78 dd 1H J 7 24 \| 75 75 m 2H \| 72 72 s 2H \| 45 44 t 1H J 46 \| 36 36 ddd 1H J 31 50 122 \| 35 34 m 1H \| 23 22 m 1H \| 20 18 m 4H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)NC(=S)Nc1ccn[nH]1	ir: 5 3 2 2 3 2 2 3 12 12 6 5 9 12 2 4 9 3 2 2 3 2 2 3 3 2 2 2 2 2 2 4 4 2 2 3 3 2 3 3 4 2 3 3 3 2 2 4 4 14 8 7 3 11 48 65 8 6 4 2 3 3 3 3 5 2 2 2 2 2 3 2 4 3 4 3 2 2 3 7 6 2 3 3 3 3 8 37 4 3 2 3 3 3 2 3 13 4 2 2 3 3 4 3 10 5 5 3 3 2 2 3 5 3 61 7 1 3 4 6 17 3 3 2 2 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 2 2 8 10 8 17 19 100 0 5 3 2 3 4 3 1 2 23 20 4 3 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 3 2 2 2 2 2 2 3 5 4 3 2 2 19 2 3 3 6 4 3 3 3 3 2 3 3 3 3 3 3 5 3 3 4 16 10 19 29 26 39 25 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 87 86 s 1H \| 82 82 d 1H J 31 \| 82 82 s 1H \| 61 61 d 1H J 29 \| 42 42 q 2H J 63 \| 13 12 t 3H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)[C@@H](c1ccccc1)N1CCCC1=O	ir: 12 18 63 5 4 2 2 3 6 9 10 6 4 8 7 5 7 13 26 52 6 6 2 6 3 5 7 4 3 1 4 34 9 6 16 8 6 5 87 68 21 13 23 46 6 9 5 6 4 1 1 2 2 3 6 15 34 13 8 5 4 16 9 3 3 11 4 4 9 9 3 1 1 1 2 2 2 1 2 5 1 1 2 4 0 3 3 17 15 22 27 8 7 3 2 3 5 11 8 6 2 1 2 4 6 25 20 5 5 2 15 3 1 11 55 11 14 24 27 39 58 17 8 8 14 19 26 14 18 18 10 26 11 8 11 59 10 3 4 2 1 4 22 100 100 31 42 6 25 61 4 7 10 4 2 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 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 1 1 1 1 1 1 1 1 1 1 2 2 3 3 5 4 4 10 9 4 5 6 4 7 11 27 83 48 21 41 56 20 5 4 1 3 2 3 2 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 75 74 m 4H \| 74 73 m 2H \| 49 49 d 1H J 9 \| 36 36 m 1H \| 35 35 m 1H \| 25 23 m 2H \| 20 18 qdd 2H J 36 72 86 \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCC(C1CCCCC1)C(C#N)P(=O)(OCC)OCC	ir: 22 3 2 1 2 2 1 3 2 1 1 3 6 11 2 2 4 1 1 1 1 4 3 1 2 4 3 2 9 0 1 2 0 2 8 3 1 1 2 2 7 14 4 1 1 1 1 2 2 1 1 1 1 1 1 3 3 2 3 8 1 4 3 4 3 4 12 18 4 2 6 28 15 12 100 16 12 11 4 5 14 12 44 15 4 2 1 1 1 0 2 1 0 1 8 2 1 1 2 1 1 2 5 8 3 6 5 3 3 7 7 9 13 11 10 4 3 5 5 4 4 2 4 4 8 2 2 2 4 9 2 3 2 2 2 2 2 4 8 6 2 1 1 2 1 1 1 0 0 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 1 1 1 1 1 2 1 2 2 5 3 3 4 2 6 5 7 7 25 2 9 5 2 2 2 1 2 2 4 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 57 56 ddtd 1H J 19 75 108 161 \| 52 51 ddt 1H J 12 24 162 \| 50 49 m 1H \| 42 41 dqd 4H J 48 69 84 \| 35 34 m 1H \| 23 21 m 2H \| 21 20 dddt 1H J 14 77 89 128 \| 19 18 dp 1H J 40 104 \| 16 14 m 5H \| 15 14 m 1H \| 14 13 m 1H \| 14 13 m 1H \| 13 13 m 1H \| 13 12 m 1H \| 13 12 td 6H J 7 69	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCS(=O)(=O)Nc1cc(F)cc(-c2nc(C(C)(C)C)sc2-c2ccncn2)c1Cl	ir: 2 4 5 8 2 1 1 1 5 3 3 2 2 2 2 1 2 4 2 1 3 2 1 2 2 3 1 1 9 1 2 3 3 2 7 10 26 6 4 10 7 6 10 3 8 5 7 2 2 2 1 4 5 6 6 9 3 1 2 3 2 2 1 2 1 3 14 19 23 8 25 12 5 9 5 6 1 1 1 1 1 1 2 3 1 3 71 0 3 2 3 9 3 3 3 1 3 5 5 2 3 1 2 1 2 2 12 13 5 6 3 71 0 5 10 3 7 3 4 4 5 3 4 3 1 9 8 3 3 4 5 3 3 2 1 1 5 1 42 1 2 1 1 2 1 1 1 3 26 2 2 1 2 3 1 1 6 9 100 5 7 0 1 2 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 2 2 5 23 3 6 25 15 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 9 33 6 5 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 91 91 t 1H J 16 \| 88 88 dd 1H J 16 38 \| 83 83 s 1H \| 76 76 dd 1H J 16 39 \| 74 73 dd 1H J 22 121 \| 72 72 dd 1H J 20 121 \| 31 30 t 2H J 78 \| 19 17 m 2H \| 15 14 s 8H \| 11 10 t 3H J 84	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(C#N)c(-c2cncc3cccnc23)c1	ir: 4 6 3 2 2 3 4 5 8 6 0 6 21 6 4 8 2 6 3 1 1 2 5 2 1 3 14 7 2 1 2 2 1 1 2 2 2 2 5 5 5 1 2 2 4 2 1 8 50 100 9 3 3 23 23 39 5 3 3 1 2 2 2 1 2 2 2 2 4 14 5 1 1 1 1 2 2 4 2 5 1 2 1 1 2 6 10 9 1 1 1 2 4 2 1 1 1 3 2 1 1 1 1 1 1 2 3 7 2 1 2 3 25 6 13 13 6 3 5 2 2 1 1 1 1 2 7 2 8 1 0 1 1 1 1 4 6 13 18 7 3 1 11 45 6 19 11 1 3 5 11 6 5 4 15 18 4 2 11 22 1 1 6 2 6 16 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 3 5 17 40 31 6 8 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; 1HNMR: 92 92 d 1H J 16 \| 90 90 t 1H J 18 \| 88 88 dd 1H J 16 40 \| 86 85 d 1H J 15 \| 83 82 dt 1H J 18 84 \| 81 81 dd 1H J 15 82 \| 79 79 d 1H J 82 \| 76 75 dd 1H J 40 84 \| 39 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCCCNCCCCCCCCCCCC	ir: 1 1 0 2 1 1 0 1 1 1 1 1 1 2 0 1 1 1 1 2 1 0 1 0 1 0 1 1 1 1 1 1 1 2 2 4 6 21 12 28 27 23 41 22 41 17 11 10 8 17 21 12 7 9 12 4 5 7 6 11 4 10 8 5 5 10 7 2 11 10 10 7 7 7 4 31 20 6 1 2 1 0 1 0 1 1 0 1 1 0 1 1 1 4 7 5 4 4 7 3 1 3 7 6 2 25 79 43 13 66 33 40 44 30 18 12 34 30 33 45 19 6 12 6 4 5 1 7 20 22 17 8 11 6 13 23 8 9 6 10 7 3 2 1 2 1 1 2 1 2 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 4 5 5 7 20 16 20 14 4 5 6 5 7 12 20 58 25 8 5 3 2 3 2 3 2 1 2 2 2 2 4 4 3 3 10 10 16 89 100 46 20 6 3 3 2 1 1 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0; 1HNMR: 28 27 q 4H J 53 \| 16 16 p 1H J 49 \| 16 15 tt 4H J 55 75 \| 13 12 m 37H \| 9 9 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1cc(C(=O)OCC)no1	ir: 2 3 6 10 14 25 15 4 9 13 39 25 51 9 5 8 2 2 1 2 1 2 1 1 1 2 2 3 4 8 1 2 3 25 4 2 1 1 2 2 3 1 6 4 3 8 12 3 1 1 1 2 1 2 3 2 3 4 1 1 1 6 9 3 1 1 1 1 2 3 2 20 23 35 60 44 6 3 4 2 3 7 12 5 2 2 2 2 1 1 4 72 3 1 13 4 4 4 3 3 26 53 3 4 1 2 2 4 3 5 9 7 6 5 6 6 9 31 18 15 25 18 30 14 11 8 3 23 49 37 43 7 10 3 13 15 10 2 1 1 1 1 1 1 1 2 3 1 3 47 100 60 6 2 4 7 18 75 4 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 5 5 4 7 5 7 6 4 2 5 7 0 12 8 28 12 27 40 47 37 50 36 10 16 5 6 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 65 65 t 1H J 9 \| 44 43 q 2H J 64 \| 29 28 td 2H J 9 69 \| 18 17 h 2H J 72 \| 14 13 t 3H J 64 \| 10 9 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2nc(C(=O)C(F)(F)F)[nH]c2-c2ccc(OC)cc2)cc1	ir: 7 3 4 3 0 3 4 2 0 4 4 6 5 5 7 6 2 7 24 4 6 8 5 2 3 5 4 1 1 3 3 1 1 4 6 1 3 6 25 21 4 5 6 10 11 10 18 38 7 4 2 3 4 8 27 36 38 11 6 7 7 9 12 12 14 6 7 1 3 17 3 0 3 5 2 4 4 3 1 1 3 3 1 1 3 3 3 4 5 3 1 1 4 9 3 4 4 4 14 26 33 13 4 2 3 2 1 1 3 2 0 2 3 2 1 2 4 10 4 6 6 4 2 5 5 8 3 5 4 10 17 6 4 2 1 2 4 2 3 16 8 3 3 9 4 100 2 3 3 16 6 45 37 6 3 4 5 1 1 3 2 0 1 15 2 1 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 4 2 3 7 6 20 35 19 8 4 2 3 4 2 2 2 3 2 1 2 2 2 1 2 3 3 1 2 3 6 8 15 22 10 16 9 5 3 3 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 1 0 1 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2; 1HNMR: 78 77 m 2H \| 77 76 m 2H \| 70 70 m 2H \| 69 69 m 2H \| 38 38 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C#N)(c1ccc(F)cc1)c1ccc(N2NCC(=O)NC2=O)cc1Cl	ir: 0 1 0 1 0 1 1 1 1 1 1 1 0 1 1 4 1 5 3 5 1 1 2 2 1 1 4 2 0 1 1 1 1 0 1 1 1 1 1 0 0 1 1 1 1 3 12 3 2 2 5 13 85 37 17 9 2 4 4 2 2 9 19 3 3 1 1 5 4 2 2 1 0 1 1 1 1 1 0 0 0 0 0 1 2 2 1 1 1 2 7 2 1 1 2 1 1 1 4 5 1 2 1 3 1 2 5 1 4 15 1 1 1 6 1 1 1 1 1 3 10 6 3 2 2 2 4 3 2 6 25 5 3 4 49 5 2 1 0 1 1 1 3 1 1 1 1 3 16 16 5 3 3 4 13 2 2 1 1 4 5 100 10 16 1 2 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 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 1 1 1 1 1 1 1 1 1 1 1 1 2 4 5 7 8 50 14 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 3 3 12 37 17 22 4 21 20 4 4 5 1 1 1 1 0 1 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; 1HNMR: 86 85 s 1H \| 75 74 m 2H \| 74 73 m 2H \| 72 72 d 1H J 67 \| 72 71 m 2H \| 57 57 t 1H J 53 \| 36 35 d 2H J 53 \| 22 21 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=CCCc1ccccc1OCc1ccccc1	ir: 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 4 3 1 1 0 1 1 2 1 6 17 12 4 20 4 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 3 1 3 7 2 1 1 1 3 1 0 0 1 1 0 0 1 2 1 1 1 1 2 1 1 1 2 1 1 0 1 1 2 2 1 0 3 2 5 2 0 1 1 1 1 2 3 2 1 1 1 1 2 2 0 0 1 0 1 1 0 0 1 0 0 0 0 1 3 27 3 10 4 2 2 1 4 9 4 1 2 1 5 15 6 5 2 1 1 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 7 6 6 9 100 15 6 3 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 97 97 tt 1H J 9 53 \| 74 73 m 4H \| 73 73 m 1H \| 72 71 td 1H J 19 78 \| 71 70 ddt 1H J 8 18 75 \| 70 70 td 1H J 11 75 \| 69 68 dd 1H J 12 79 \| 51 50 t 2H J 9 \| 28 28 tq 2H J 9 86 \| 26 26 tdd 2H J 7 55 87	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](O)C(=O)O	ir: 5 9 14 20 10 19 22 20 35 15 5 7 10 9 22 18 31 43 32 19 13 16 25 16 11 7 12 10 9 13 6 9 6 4 4 13 14 13 14 26 19 42 8 5 12 11 7 9 6 7 7 17 10 10 7 4 4 2 3 3 3 2 2 3 2 2 5 5 4 2 4 5 13 16 6 7 6 17 14 17 12 13 14 14 11 8 10 10 30 52 100 16 14 9 21 11 7 6 3 4 2 3 4 3 3 3 3 6 4 7 8 8 5 10 8 8 5 4 6 5 4 4 7 7 4 5 5 10 12 7 5 7 4 4 7 3 3 3 5 6 6 7 37 81 30 23 21 69 28 16 5 2 3 4 2 1 2 3 2 1 2 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 2 2 2 1 2 3 3 2 3 3 3 2 3 3 3 3 4 6 5 5 6 9 10 3 3 4 2 0 3 5 2 3 18 88 51 49 7 5 3 3 3 3 4 2 7 7 5 6 15 24 57 42 11 9 5 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 79 78 d 1H J 86 \| 65 65 t 1H J 50 \| 52 51 d 1H J 53 \| 47 47 d 1H J 59 \| 46 45 dd 1H J 53 88 \| 43 42 dt 1H J 67 86 \| 42 42 dd 1H J 60 88 \| 32 31 m 2H \| 17 15 m 3H \| 15 14 m 2H \| 14 14 m 1H \| 10 9 dd 9H J 65 173 \| 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.
COc1cc(CO)cc(Cl)c1I	ir: 7 3 0 4 11 5 3 7 7 5 3 5 7 5 2 5 5 4 1 4 5 3 3 5 5 2 2 4 9 4 5 5 3 1 1 8 4 1 2 4 3 0 1 4 3 0 2 4 3 2 4 6 5 1 6 6 5 12 8 8 4 6 12 10 5 4 11 40 51 17 17 13 9 5 6 6 3 2 8 11 5 10 19 22 20 55 73 87 18 26 26 11 8 10 18 12 2 3 4 4 2 2 4 8 2 3 6 3 1 3 5 3 0 3 4 3 1 4 6 5 2 4 8 6 3 11 12 3 1 4 6 2 1 3 3 1 1 3 3 1 1 3 3 2 1 3 3 1 1 3 3 1 2 4 20 4 1 5 3 10 17 6 3 1 2 4 3 1 2 4 2 0 2 4 2 0 2 4 3 1 3 4 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 4 3 1 2 4 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 2 2 4 4 2 3 6 4 4 4 7 3 3 7 10 5 4 4 7 8 24 26 87 53 4 5 7 5 5 45 100 78 7 4 6 2 1 4 5 2 3 4 4 2 2 5 6 4 5 6 5 2 3 4 3 1 2 4 3 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0; 1HNMR: 72 71 dt 1H J 9 20 \| 68 68 dt 1H J 9 20 \| 46 46 dt 2H J 9 56 \| 39 38 s 3H \| 31 31 t 1H J 56	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccccc1N1CC2CN(C(=O)OC(C)(C)C)CCN2C1=O	ir: 3 2 8 3 7 14 17 4 5 16 12 13 4 3 2 3 2 4 2 2 2 1 1 1 1 2 9 1 1 1 2 2 1 2 2 2 29 9 7 13 4 6 17 16 6 2 2 2 2 1 1 1 1 1 1 1 1 1 1 2 1 3 1 1 1 1 1 3 2 1 1 2 1 3 6 4 4 2 2 1 1 1 2 3 2 5 3 7 3 3 10 5 2 1 3 3 2 2 2 1 1 1 6 5 3 9 19 4 3 2 2 5 8 4 2 3 3 9 8 6 5 6 4 4 9 6 6 5 6 9 9 14 4 5 10 2 2 12 7 2 2 2 2 4 7 4 5 2 6 3 8 38 2 10 100 5 2 0 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 2 2 2 3 3 3 7 6 7 22 3 7 10 30 7 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 72 td 1H J 16 74 \| 72 71 m 2H \| 70 69 td 1H J 15 78 \| 43 42 dd 1H J 39 102 \| 41 40 m 2H \| 38 38 ddd 1H J 45 62 117 \| 37 35 m 5H \| 35 34 dd 1H J 38 110 \| 26 25 qd 2H J 9 75 \| 15 14 s 7H \| 13 12 t 3H J 75	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)cc(Nc2nccc(-c3nc(C#N)cs3)n2)c1	ir: 1 1 2 2 2 2 2 2 2 3 2 4 10 6 7 3 1 2 3 2 1 3 2 5 5 10 20 3 3 4 25 2 1 2 1 2 1 2 2 2 1 2 2 1 1 2 3 4 10 4 4 6 15 21 26 8 20 3 2 4 3 11 15 10 4 5 3 7 8 4 2 3 7 6 20 2 3 2 1 2 1 1 1 3 6 2 1 1 2 2 2 1 7 7 8 4 6 3 16 14 2 2 2 2 1 3 11 4 2 3 1 1 2 2 2 2 1 1 1 1 2 1 1 2 2 1 1 2 25 14 5 1 2 2 2 2 32 2 2 2 2 5 7 2 1 4 3 1 45 30 7 2 17 3 3 7 17 11 2 2 25 5 3 100 5 0 1 2 1 0 2 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 2 1 2 2 2 3 5 11 18 10 33 4 3 4 2 1 1 2 1 1 2 2 1 1 2 2 1 2 2 2 2 1 6 5 46 24 15 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 85 d 1H J 46 \| 85 85 s 1H \| 81 81 s 1H \| 77 76 d 1H J 46 \| 74 74 d 2H J 21 \| 66 66 t 1H J 25 \| 23 23 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(F)(F)F)n2CCO3)C1=O	ir: 3 5 3 2 2 2 4 2 0 3 2 3 1 6 15 4 1 2 3 1 2 6 4 1 20 93 18 10 5 9 2 3 3 2 2 4 3 3 2 1 1 1 2 1 3 10 2 2 1 0 0 1 1 1 8 8 3 2 1 2 2 1 1 1 1 2 5 3 12 4 0 4 1 1 1 2 12 3 1 0 1 3 7 6 2 2 1 4 11 12 4 4 2 3 16 6 5 9 1 11 0 2 4 4 1 1 0 8 1 1 1 2 3 4 6 2 5 3 3 6 3 1 2 3 3 9 13 3 2 0 0 2 3 15 14 0 1 1 1 1 2 1 1 0 1 1 8 37 13 15 0 3 13 7 2 1 1 1 81 5 1 1 1 1 0 1 0 0 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 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 1 0 1 0 0 1 0 1 1 1 1 0 0 1 0 0 0 0 1 1 1 1 1 1 1 1 3 1 2 1 0 1 1 1 1 1 4 3 3 3 20 2 1 1 1 1 2 100 6 0 1 1 0 0 1 1 4 19 2 1 0 1 1 0 0 0 1 1 1 21 92 9 2 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 d 1H J 22 \| 74 74 dd 1H J 21 80 \| 72 71 d 1H J 80 \| 70 69 s 2H \| 45 44 s 1H \| 44 43 t 2H J 42 \| 43 42 t 2H J 42 \| 34 33 ddd 1H J 33 51 117 \| 33 32 ddd 1H J 31 49 115 \| 30 29 s 3H \| 25 24 ddd 1H J 31 49 121 \| 22 22 ddd 1H J 33 50 123	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CC(CC(=O)OC)c1ccc(OC)cc1	ir: 6 5 3 2 5 2 3 8 7 3 2 2 3 2 1 3 5 3 3 3 2 1 1 2 2 11 5 5 2 1 1 2 1 1 3 5 2 1 1 2 1 0 1 2 2 1 1 2 1 1 3 2 3 17 27 27 9 0 3 4 2 0 5 7 24 1 2 2 3 3 10 2 1 1 4 2 3 1 1 1 0 0 1 1 0 0 2 2 7 2 5 2 1 3 4 2 2 14 8 4 6 3 3 6 1 3 8 9 18 19 3 3 1 2 2 2 2 4 4 9 1 9 6 3 6 3 3 7 3 4 3 4 6 7 7 3 3 3 5 2 2 4 4 13 71 22 16 8 14 15 7 2 7 2 2 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 2 2 1 3 4 4 3 3 3 4 4 3 3 6 26 8 5 100 16 4 4 2 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 72 71 m 2H \| 69 68 m 2H \| 38 38 s 3H \| 37 36 m 1H \| 36 35 s 5H \| 30 29 dd 2H J 84 169 \| 27 26 dd 2H J 84 170	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2nc(C(N)=O)c3[nH]c4cc(OC)ccc4c3n2)cc1	ir: 2 3 6 2 4 2 5 2 2 3 5 12 4 3 3 3 3 11 37 17 27 31 27 25 16 22 13 4 3 2 1 3 11 9 7 15 5 3 2 8 37 17 3 2 2 1 2 3 2 2 19 98 13 22 5 9 5 2 3 2 2 3 3 3 3 6 15 7 5 3 2 4 3 1 2 3 7 6 2 2 1 2 2 1 2 2 2 1 3 3 2 3 2 2 2 1 2 5 2 1 1 1 1 3 7 2 5 3 2 2 1 7 27 1 2 1 2 2 2 2 2 4 3 8 11 2 3 5 2 1 0 2 5 8 100 10 5 4 3 2 2 2 54 8 9 5 5 18 8 45 19 12 13 6 14 7 9 38 4 27 2 2 2 43 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 4 5 13 62 8 4 6 4 2 0 2 2 1 1 1 2 1 1 1 2 7 30 2 2 1 1 2 4 21 8 14 6 5 3 42 2 1 1 2 1 0 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0; 1HNMR: 81 80 m 4H \| 72 72 s 2H \| 71 71 d 1H J 22 \| 71 70 m 2H \| 70 69 dd 1H J 22 88 \| 38 38 s 3H \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOc1c(Cl)cc(CN(O)C=O)cc1OCC(=O)OCC	ir: 2 4 4 21 0 7 12 9 6 14 16 7 5 9 4 2 6 9 9 10 3 3 7 3 3 1 1 7 8 7 4 5 1 1 1 1 2 2 3 2 1 2 2 2 1 2 3 2 1 1 2 2 4 2 1 2 2 2 2 1 1 1 2 5 4 2 4 20 19 19 14 6 5 1 8 2 1 2 1 1 0 1 3 5 6 4 8 8 11 10 24 9 42 8 5 3 4 4 7 8 4 22 9 10 6 22 7 5 3 2 4 4 2 6 5 5 1 3 3 3 3 5 3 2 3 2 2 2 2 5 3 5 4 1 1 1 1 5 2 1 1 1 2 11 30 4 2 2 0 1 1 0 1 1 2 6 1 24 2 3 8 3 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 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 2 1 1 2 2 4 1 2 1 2 1 4 6 15 10 10 18 20 3 2 5 1 23 12 100 9 3 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 97 97 s 1H \| 82 81 t 1H J 9 \| 72 72 dt 1H J 9 19 \| 68 68 dt 1H J 9 20 \| 48 47 s 2H \| 46 46 q 2H J 9 \| 43 42 q 2H J 66 \| 41 40 t 2H J 64 \| 17 16 p 2H J 66 \| 15 14 h 2H J 69 \| 13 12 t 3H J 66 \| 10 9 t 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cc1ccc(C#Cc2cccnc2C)cc1	ir: 8 6 8 9 1 11 10 5 5 3 4 3 4 3 3 6 4 5 3 2 1 2 3 1 2 7 3 2 3 5 7 8 15 27 23 12 4 4 35 7 7 2 2 1 3 6 7 7 6 5 4 2 3 4 4 4 13 26 20 8 6 55 33 21 29 0 4 5 7 19 3 3 2 1 1 4 2 2 4 3 2 3 3 3 2 4 34 17 9 2 41 13 8 2 2 2 3 10 4 4 7 9 9 14 1 2 2 2 2 1 2 3 3 2 2 2 6 3 8 13 16 39 10 7 3 6 10 7 3 7 3 4 5 27 71 16 5 5 17 3 4 3 5 18 62 100 22 2 14 6 5 5 23 14 17 14 6 5 2 2 2 4 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 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 2 2 2 4 2 2 2 2 6 4 3 4 2 3 2 6 9 20 9 57 99 36 35 20 5 4 5 4 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 dd 1H J 20 33 \| 77 77 dd 1H J 22 68 \| 74 74 m 2H \| 73 73 dt 2H J 9 79 \| 73 72 dd 1H J 33 68 \| 37 36 s 3H \| 36 36 d 2H J 9 \| 25 25 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC12COC(c3ccc(C#CC(=O)NC)cc3)(OC1)OC2	ir: 1 2 5 1 0 3 7 2 2 2 5 3 3 6 6 4 0 3 6 5 4 10 12 9 4 11 11 25 17 10 50 32 16 14 7 7 2 3 4 6 6 6 6 8 15 38 29 24 23 22 10 3 5 10 5 39 34 11 6 0 6 8 2 2 6 4 3 0 2 9 8 2 4 5 3 43 4 3 1 1 2 3 2 2 3 9 25 9 10 8 6 3 3 3 3 10 20 62 79 24 12 6 2 2 3 3 1 2 3 4 6 6 5 6 2 100 54 6 5 8 20 6 6 21 12 31 9 11 12 6 8 4 2 1 1 2 2 4 2 2 7 15 45 52 72 44 31 7 16 44 5 5 4 4 5 3 2 3 1 2 2 2 2 2 2 1 1 3 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 7 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 2 2 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 4 1 2 2 3 4 6 3 2 2 2 5 4 3 23 20 36 21 15 8 5 5 6 5 4 2 4 3 2 2 2 3 2 2 4 4 3 6 22 45 35 49 53 29 20 2 3 2 0 1 2 2 1 1 2 2 0 1 2 1 1 2 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 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 76 76 m 2H \| 75 74 m 2H \| 72 71 q 1H J 47 \| 40 39 s 5H \| 29 28 d 3H J 46 \| 15 13 m 4H \| 9 9 t 3H J 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)[C@@H]1[C@H](Nc2c(Br)cnc3[nH]c(-c4cccc(Cl)c4)nc23)[C@H]2C=C[C@@H]1C2	ir: 2 1 1 2 1 1 0 1 2 5 7 2 3 5 11 19 24 12 12 7 10 6 7 5 25 28 77 12 3 11 7 21 41 6 17 5 8 4 6 10 6 31 11 14 11 8 14 20 9 4 8 2 2 5 1 1 1 0 1 3 3 3 2 2 5 2 1 4 2 2 3 2 1 5 2 3 3 3 4 7 3 6 3 2 1 1 1 1 0 1 3 6 3 2 1 1 2 2 2 2 6 1 2 1 2 2 9 7 2 23 12 4 1 12 3 3 4 2 4 9 14 3 2 2 1 2 0 1 1 1 3 2 2 2 4 7 37 12 16 9 19 31 11 18 10 7 52 8 3 3 22 12 4 6 5 4 9 100 73 14 6 2 6 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 1 1 1 1 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 1 1 1 4 5 7 5 1 4 15 29 67 8 3 2 2 1 0 1 1 1 0 1 1 1 0 2 5 4 17 6 2 5 4 17 56 56 32 30 19 11 37 97 6 4 1 3 2 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 84 s 1H \| 80 79 dt 1H J 19 82 \| 78 78 t 1H J 21 \| 74 73 m 2H \| 68 68 d 1H J 81 \| 64 64 s 2H \| 63 61 m 2H \| 43 42 dddd 1H J 19 40 59 80 \| 31 30 m 2H \| 28 27 ddt 1H J 18 38 58 \| 21 20 dddt 1H J 9 30 38 121 \| 18 17 ddddd 1H J 9 18 28 37 130	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(Cl)c2nc(-c3ccccc3Cl)n(CC(N)=O)c2n1	ir: 5 3 5 14 5 10 7 14 24 5 7 6 5 20 17 11 17 7 7 13 26 17 33 15 11 17 21 77 100 9 11 15 10 24 6 9 4 14 15 20 12 16 20 18 23 23 49 48 35 8 5 1 3 5 3 1 2 6 4 1 2 6 3 7 7 15 11 2 10 12 2 0 4 4 12 10 14 14 8 12 5 6 3 2 5 7 1 14 20 1 2 2 2 2 2 3 2 2 5 4 3 2 1 1 2 4 5 2 5 17 0 1 3 2 0 2 17 31 5 18 26 10 5 4 6 2 12 23 11 6 26 15 20 36 17 25 51 26 23 19 19 10 45 37 13 82 29 16 22 3 51 19 1 3 13 62 2 25 100 14 4 4 2 1 2 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 3 6 5 3 4 4 7 3 10 9 14 37 89 26 20 20 3 5 2 1 1 1 1 2 1 2 2 2 2 10 36 2 2 2 1 1 2 2 2 1 2 2 32 52 12 3 2 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 dd 1H J 15 76 \| 75 75 dd 1H J 16 77 \| 75 74 dtd 2H J 14 73 203 \| 70 70 s 2H \| 51 50 s 2H \| 26 26 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(O)CC1	ir: 12 5 4 8 19 11 7 8 5 5 14 14 7 3 6 4 5 2 3 1 2 3 1 2 1 2 1 1 2 1 1 1 1 1 1 1 1 2 1 2 2 1 2 1 1 1 1 2 1 2 1 1 1 1 3 2 2 3 2 2 2 3 2 2 2 3 5 4 2 3 4 2 2 2 2 2 2 1 3 4 3 5 9 15 27 24 15 26 6 16 16 10 8 9 9 8 6 3 4 3 3 2 2 2 6 4 3 4 2 2 1 2 2 6 20 11 8 5 17 16 10 7 6 12 2 3 3 4 6 5 12 7 1 3 5 7 20 10 3 2 2 1 1 1 1 1 1 2 2 1 16 100 4 2 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4 6 6 6 5 4 7 5 3 3 6 1 5 11 19 7 3 1 3 2 2 3 3 4 12 14 13 7 5 2 2 2 2 2 2 3 2 2 2 3 4 2 2 1 3 2 2 2 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; 1HNMR: 39 38 h 1H J 49 \| 36 36 ddd 2H J 64 92 123 \| 34 33 ddd 2H J 64 92 123 \| 32 31 d 1H J 49 \| 21 20 dddd 2H J 49 64 91 130 \| 19 18 dddd 2H J 50 64 91 130 \| 15 14 s 7H	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.