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DeerEyeRain
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train · 715k rows

Output stringlengths 5 127	Input stringlengths 850 1.64k	Instruction stringclasses 1 value
CCc1c(C2=NCC(=O)N2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1	ir: 5 3 6 2 0 2 4 5 1 2 3 2 2 12 11 2 1 3 5 1 1 2 11 16 29 34 6 4 3 3 3 6 13 6 8 4 1 2 1 1 1 2 1 1 1 1 2 9 6 8 2 1 5 22 94 14 31 12 6 4 2 3 2 2 3 4 5 10 7 7 5 1 6 14 8 1 2 2 4 5 3 2 5 3 4 6 7 3 3 2 1 1 2 1 1 1 2 4 1 1 1 7 6 3 2 1 5 2 2 2 2 5 3 2 6 2 3 5 7 28 10 13 12 9 29 13 8 5 23 10 10 10 7 2 1 2 4 14 4 3 1 7 2 27 5 5 1 5 18 7 27 67 13 2 4 3 2 1 1 2 1 3 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 2 0 1 2 1 1 1 1 2 0 6 3 2 2 1 4 4 1 8 11 28 100 28 4 8 5 5 7 3 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 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 75 74 d 1H J 20 \| 74 72 m 2H \| 73 73 s 4H \| 46 45 s 2H \| 38 37 s 2H \| 28 27 q 2H J 75 \| 14 13 t 3H J 75	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1C[C@H](Cc2ccc(Cl)c(Cl)c2)C[C@H]1CC#N	ir: 4 10 8 15 4 17 11 11 7 24 49 39 41 11 6 8 5 3 3 3 3 4 4 4 3 3 3 2 2 3 2 3 2 3 5 7 10 4 6 9 5 3 2 2 2 9 7 4 4 5 5 4 7 4 33 37 9 7 8 11 9 4 10 4 4 5 7 18 15 11 5 3 4 4 3 2 4 4 3 2 6 4 3 2 3 4 3 2 3 3 8 6 7 12 7 5 4 11 13 10 6 5 10 17 14 10 8 18 21 9 17 15 24 7 7 7 24 13 27 13 12 10 13 8 18 8 9 6 8 17 36 26 73 39 18 9 5 15 4 2 2 3 3 2 2 4 4 5 33 6 29 55 13 0 3 5 3 1 2 5 10 1 2 4 3 1 2 4 2 1 2 3 2 1 3 3 2 2 3 11 3 2 2 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 3 4 4 4 5 7 11 19 6 7 6 7 10 12 14 26 43 37 48 100 26 10 7 5 4 4 3 3 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 73 72 d 1H J 80 \| 71 71 dt 1H J 9 20 \| 70 69 m 1H \| 42 41 m 1H \| 37 37 m 1H \| 35 35 m 1H \| 29 28 m 2H \| 27 26 m 2H \| 26 25 m 1H \| 20 19 m 1H \| 18 17 m 1H \| 15 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C=O	ir: 13 3 10 8 4 1 2 3 4 4 7 7 6 19 19 3 2 2 2 2 4 7 3 2 5 2 4 2 4 4 4 2 2 1 1 1 1 1 2 1 1 5 2 1 1 1 1 1 1 1 2 2 1 3 2 1 2 1 1 2 3 2 2 1 2 1 1 1 1 1 1 2 1 1 1 2 3 4 1 1 2 3 2 1 1 1 1 1 1 1 1 1 1 1 2 1 4 4 6 7 2 9 3 5 10 12 10 10 3 3 5 3 2 2 2 4 2 3 5 7 4 5 2 3 1 2 3 2 2 25 21 11 6 3 2 1 1 1 1 1 1 1 1 1 0 2 2 1 3 25 65 100 4 0 2 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 5 5 3 1 1 1 2 2 1 4 5 4 8 25 12 6 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 96 96 dd 1H J 18 70 \| 45 45 t 1H J 69 \| 43 42 m 1H \| 16 16 s 3H \| 15 15 s 3H \| 15 14 s 8H \| 13 12 d 3H J 53	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCN1C(=O)C(=O)c2cc(SCCc3ccc(C(=O)O)cc3)ccc21	ir: 5 2 2 1 1 5 6 22 10 2 4 3 13 6 3 1 1 19 1 4 8 34 84 37 9 5 2 6 6 3 4 2 2 1 3 3 7 1 2 7 6 3 4 3 2 1 2 3 3 6 5 4 16 11 30 30 12 11 6 2 1 0 1 2 2 1 4 7 5 6 4 2 2 5 11 2 4 3 9 18 6 2 2 16 3 1 5 12 8 4 2 3 3 3 2 2 1 1 3 3 3 1 5 11 4 5 2 6 3 9 6 5 6 9 10 24 7 5 10 9 8 7 4 2 2 6 4 2 6 2 9 1 1 1 2 2 1 3 1 6 8 17 16 26 5 8 15 1 2 8 16 42 7 5 7 2 1 1 1 0 2 5 4 2 1 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 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 6 3 3 1 3 2 1 3 3 13 11 4 18 100 33 9 7 2 1 1 2 3 7 2 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 79 79 m 2H \| 79 78 d 1H J 21 \| 77 77 d 1H J 73 \| 75 75 dd 1H J 21 72 \| 72 71 dp 2H J 9 79 \| 42 42 t 2H J 54 \| 31 30 t 2H J 61 \| 29 28 m 2H \| 18 17 tt 2H J 55 68 \| 14 13 m 5H \| 9 9 t 3H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C=O)Cc1ccc(C#N)cc1	ir: 12 15 9 11 9 6 8 15 6 8 8 8 9 7 3 6 5 3 2 5 8 3 4 9 13 34 25 12 8 5 4 7 11 8 10 6 5 5 7 6 3 2 3 5 4 2 3 7 5 3 4 8 7 7 5 16 43 16 13 17 8 3 7 7 5 3 4 6 6 8 7 5 6 6 9 8 8 9 5 4 2 2 3 4 3 5 5 4 2 2 5 3 3 4 8 18 30 12 12 8 4 4 8 8 4 4 9 12 8 21 10 23 8 18 12 12 11 13 12 15 11 10 15 6 5 13 14 5 6 9 6 4 4 4 5 4 3 4 4 3 3 8 15 74 100 70 50 19 19 14 40 26 27 21 7 3 3 4 4 1 2 4 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 7 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 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 2 0 2 4 2 0 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 2 3 3 1 1 3 3 1 2 3 3 2 3 4 4 3 4 5 5 3 9 14 16 9 10 15 26 25 79 36 14 6 9 7 4 3 4 4 2 2 3 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 99 98 dt 1H J 9 88 \| 76 75 m 2H \| 73 73 dt 2H J 9 82 \| 42 41 q 2H J 64 \| 38 37 q 1H J 84 \| 33 32 ddq 1H J 9 82 137 \| 31 30 ddq 1H J 9 82 136 \| 13 12 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCC(C)OC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(C)c1C	ir: 7 5 5 5 6 5 2 4 5 6 3 3 3 2 3 2 3 4 10 6 5 3 3 4 3 12 6 11 14 19 7 14 16 16 14 10 4 8 6 6 4 4 5 3 2 2 2 3 3 2 35 12 6 12 18 3 14 11 3 2 5 6 3 8 4 4 7 8 12 17 8 11 20 12 19 4 3 5 3 6 3 5 4 2 2 2 2 1 2 2 3 4 2 8 3 5 7 13 3 3 2 3 2 10 4 8 8 5 5 6 14 15 5 5 3 5 9 7 5 7 6 2 2 2 1 3 5 4 5 5 7 7 2 3 3 2 5 7 10 6 17 2 3 1 3 15 42 7 8 19 50 21 13 1 11 18 12 3 3 14 4 5 5 3 2 0 3 7 2 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 2 3 5 3 2 3 4 2 3 3 3 3 8 3 10 12 20 10 15 55 58 6 4 4 2 3 2 2 2 2 2 1 2 2 2 2 2 2 3 3 3 6 10 28 100 8 4 2 2 2 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 85 d 1H J 49 \| 77 76 s 1H \| 74 73 m 2H \| 70 69 d 1H J 49 \| 68 68 d 1H J 86 \| 66 65 s 1H \| 49 48 h 1H J 59 \| 39 39 s 3H \| 39 38 s 3H \| 22 22 s 3H \| 21 21 s 3H \| 18 17 dtd 1H J 56 82 137 \| 15 14 m 2H \| 14 12 m 9H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O	ir: 2 7 2 9 6 16 6 22 19 8 13 10 2 21 12 22 14 21 18 26 23 15 15 15 5 10 11 7 3 8 8 2 4 20 17 20 21 27 8 22 25 24 26 18 53 44 15 8 11 9 3 7 5 4 11 12 9 5 7 34 11 4 3 1 7 6 6 5 13 20 9 5 5 5 7 11 15 21 15 58 28 2 11 21 8 7 8 9 11 11 32 90 30 26 55 64 49 9 6 6 3 4 6 6 7 3 5 6 2 3 8 3 1 3 3 4 2 5 4 13 5 14 13 3 3 6 10 11 3 20 11 9 17 11 60 13 5 6 4 2 6 13 23 73 43 24 32 29 9 5 1 8 4 2 1 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 1 0 1 0 0 0 0 0 0 1 0 1 0 1 0 0 0 1 1 0 1 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 1 1 1 0 1 0 1 1 1 1 0 0 1 1 1 1 1 0 1 1 2 2 2 1 2 2 4 4 3 3 4 5 8 6 5 8 2 3 3 3 6 12 39 68 44 29 8 9 9 3 5 14 16 10 7 2 6 7 6 100 80 11 10 25 15 10 8 5 3 0 2 2 1 1 1 0 0 1 1 1 0 1 0 0 0 0 0 1 0 0 1 0 1 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 94 \| 79 78 d 1H J 90 \| 56 55 d 2H J 66 \| 43 43 m 2H \| 43 41 m 2H \| 41 40 p 1H J 69 \| 40 39 d 1H J 24 \| 39 38 m 2H \| 37 35 m 3H \| 35 34 dddd 1H J 14 32 54 116 \| 29 28 dd 1H J 73 174 \| 26 25 dd 1H J 73 174 \| 25 24 m 1H \| 22 21 ddtd 1H J 37 55 71 143 \| 19 17 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C(=O)O)c1ccc(-c2ccc(-c3nc(C(N)=O)c(C)nc3C)cc2F)c(Cl)c1	ir: 1 3 1 0 0 1 1 0 1 2 1 5 3 3 4 3 8 14 9 2 5 26 16 5 9 4 2 1 2 1 1 1 1 2 4 5 13 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 8 3 1 0 0 1 1 0 0 0 1 2 3 7 6 2 0 1 1 1 2 4 13 33 8 0 4 2 2 1 1 2 3 3 1 1 2 2 4 5 1 1 1 2 5 2 1 1 0 0 0 1 0 0 3 4 4 2 1 0 0 1 1 1 3 2 1 0 2 1 2 0 1 2 14 3 1 1 1 1 3 1 1 1 0 1 3 2 4 6 7 6 4 2 1 1 1 1 10 1 1 1 2 46 3 1 3 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 3 1 1 1 5 1 4 22 4 1 1 1 2 1 1 1 1 22 14 9 3 0 1 0 3 9 1 0 0 0 0 0 1 1 0 1 2 9 100 4 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; 1HNMR: 78 77 m 2H \| 77 77 dd 1H J 22 121 \| 76 75 dd 1H J 20 72 \| 75 75 d 1H J 22 \| 74 73 dd 1H J 21 72 \| 72 71 s 2H \| 61 60 d 1H J 26 \| 59 59 d 1H J 26 \| 27 27 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.
O=C(O)c1cnc(C(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)[nH]1	ir: 8 9 3 7 17 7 10 5 7 6 2 3 3 3 3 4 5 3 2 3 18 5 4 3 3 2 2 3 2 2 3 3 2 6 42 6 10 5 5 15 6 30 6 4 4 3 4 4 15 15 4 9 18 12 50 12 10 22 4 8 5 3 9 6 3 2 11 21 8 13 3 7 5 6 3 4 2 2 5 6 9 2 8 38 47 13 3 1 5 5 14 5 5 20 32 6 6 6 6 13 13 7 5 8 16 41 4 3 5 3 2 4 17 12 2 4 11 19 9 5 5 8 4 7 9 4 3 4 5 4 17 12 7 7 14 4 3 3 3 5 4 4 4 14 10 18 9 12 7 4 32 13 13 3 3 6 3 4 3 3 7 4 2 2 2 2 3 5 8 44 3 0 2 4 2 0 7 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 3 2 2 2 3 2 2 2 2 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 3 3 2 3 3 3 2 2 2 2 2 2 3 3 2 2 3 3 2 2 4 3 2 5 5 3 1 3 4 3 3 5 7 14 3 30 82 56 41 9 19 5 3 6 45 100 19 14 8 8 6 3 2 4 4 3 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 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; 1HNMR: 86 85 m 1H \| 84 84 s 1H \| 76 75 dd 1H J 13 64 \| 74 73 ddd 1H J 13 64 76 \| 73 72 dt 2H J 9 77 \| 72 72 q 1H J 8 \| 72 72 td 1H J 15 72 \| 71 71 m 2H \| 55 54 q 2H J 9	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC(CC(=O)O)c1ccc(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)c(Cl)c1	ir: 5 10 7 6 7 8 5 7 9 5 5 8 22 10 6 14 17 10 14 24 33 83 100 60 12 8 4 6 4 3 3 8 8 6 4 3 2 1 1 3 2 1 3 9 4 2 4 2 3 4 4 5 3 4 8 18 13 3 1 3 2 0 2 6 5 10 18 78 80 11 9 4 5 13 12 8 5 17 44 54 26 19 13 6 9 9 4 3 7 13 4 3 2 3 2 5 10 14 21 29 16 16 85 75 2 2 5 6 6 5 10 9 13 5 9 7 23 30 10 8 5 21 28 6 7 10 22 22 21 10 9 9 10 13 3 2 3 3 3 2 3 18 29 35 29 13 10 2 1 5 16 4 3 10 7 5 2 2 1 0 1 2 3 2 2 2 1 0 1 2 1 0 1 2 1 1 1 2 2 3 2 2 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 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 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 1 2 3 8 4 4 5 3 4 4 11 9 6 14 67 16 33 28 37 10 2 8 51 91 27 21 7 3 1 1 2 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 95 94 t 1H J 10 \| 84 83 s 1H \| 79 78 p 1H J 10 \| 78 78 d 1H J 93 \| 76 76 dd 1H J 7 21 \| 75 75 m 1H \| 44 44 m 1H \| 31 30 dd 1H J 75 163 \| 28 28 dd 1H J 76 162	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(C#CCCc2nc3ccccc3s2)cs1	ir: 5 6 19 23 1 8 6 2 5 3 2 2 0 2 2 1 1 2 6 10 2 3 5 4 2 5 9 7 3 1 2 4 5 5 3 3 6 6 7 6 25 26 68 7 6 2 35 11 5 2 3 1 3 6 5 5 4 4 3 7 4 2 1 1 1 2 3 2 24 4 6 10 11 7 11 4 6 4 2 3 3 4 21 5 12 58 9 5 5 6 19 7 3 2 6 5 12 10 5 2 12 31 4 2 2 5 75 13 12 11 61 24 15 6 10 10 4 13 5 7 11 21 9 9 21 13 4 13 11 17 4 7 13 7 10 24 15 5 1 3 8 20 3 4 13 9 2 2 5 51 2 1 1 1 2 1 1 0 1 2 1 2 4 2 1 0 1 1 1 0 1 2 1 0 2 1 1 0 1 1 1 0 1 1 1 0 2 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 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 2 1 2 1 2 2 3 2 4 4 2 4 6 11 12 4 7 10 9 7 6 17 14 66 46 56 24 44 100 23 12 6 8 3 2 1 2 1 4 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 80 79 dd 1H J 14 71 \| 79 79 dd 1H J 16 74 \| 75 75 td 1H J 15 72 \| 75 74 td 1H J 14 75 \| 73 72 s 1H \| 31 30 m 4H \| 27 27 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1cc(I)c2c(c1)CNS(=O)(=O)O2	ir: 5 3 2 1 2 1 2 5 10 4 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 2 2 4 7 1 1 2 3 2 1 1 1 1 4 3 2 1 1 3 2 1 1 1 2 6 51 15 11 4 1 11 8 4 2 5 7 18 12 15 3 9 5 2 2 1 1 2 2 1 0 5 2 1 1 2 8 18 3 2 2 3 8 4 2 9 1 4 2 7 4 64 24 8 6 10 11 7 4 2 1 1 2 2 2 1 1 3 1 1 2 2 1 1 1 1 1 3 3 2 2 3 2 2 1 1 3 7 5 2 1 1 0 1 1 3 3 1 1 1 0 1 1 1 0 1 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 0 1 1 1 1 2 4 5 1 2 9 4 1 2 2 1 0 1 1 1 1 1 2 1 0 1 2 1 0 2 11 100 11 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0; 1HNMR: 76 76 d 1H J 22 \| 74 73 dt 1H J 9 20 \| 67 66 t 1H J 67 \| 43 43 dd 2H J 8 67 \| 14 13 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)O)CCN3CC=C(C)C)cc1	ir: 1 1 1 0 0 1 0 1 0 0 1 1 3 2 1 2 1 1 2 2 2 1 13 30 11 3 3 1 1 1 0 1 1 0 0 0 1 0 0 1 0 0 0 1 1 0 1 1 0 0 1 2 2 5 5 6 3 2 1 1 1 2 1 1 1 1 2 2 2 1 3 6 1 1 2 8 3 7 2 1 6 4 1 1 3 2 1 1 1 0 2 1 1 1 1 1 1 1 1 2 1 0 1 0 0 0 1 1 2 1 1 3 1 1 2 1 1 1 3 3 2 2 1 1 1 1 1 1 1 2 2 3 2 1 3 1 0 1 0 0 0 0 0 1 2 2 3 7 6 2 1 1 1 1 1 0 0 1 2 3 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 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 1 1 1 1 0 1 1 2 6 4 3 7 20 4 1 1 1 0 0 3 4 19 100 10 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 m 4H \| 75 74 d 1H J 20 \| 70 69 m 3H \| 53 52 tp 1H J 15 48 \| 41 41 t 2H J 50 \| 38 38 dp 2H J 10 49 \| 38 37 t 2H J 50 \| 36 35 dt 4H J 65 114 \| 25 24 td 2H J 9 65 \| 17 17 dd 6H J 9 17 \| 16 15 p 2H J 67 \| 14 13 h 2H J 70 \| 9 8 t 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(CC(=O)C(F)(F)F)c1cc(S(C)(=O)=O)cc2c1OCC2	ir: 5 3 1 2 1 1 2 7 22 3 1 0 1 2 9 3 4 5 1 2 3 10 5 8 3 2 0 2 1 0 1 0 0 1 2 3 8 25 7 2 2 9 4 2 1 3 9 4 3 2 1 1 1 1 1 1 3 5 2 1 2 1 2 4 8 10 26 22 7 4 7 3 5 3 3 1 1 1 1 1 1 3 4 2 1 100 35 5 5 6 0 1 2 1 0 3 6 22 21 9 6 3 4 3 3 5 8 5 3 4 1 3 6 2 0 1 1 3 1 5 1 17 5 10 7 7 6 8 6 4 1 4 1 4 3 2 2 2 5 18 14 14 16 4 0 1 1 0 7 3 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 5 6 4 1 1 2 5 3 3 2 3 3 5 13 30 29 11 30 20 10 8 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 d 1H J 22 \| 76 76 dt 1H J 9 20 \| 44 44 t 2H J 42 \| 32 32 s 3H \| 32 32 td 2H J 9 41 \| 30 30 q 2H J 17 \| 14 14 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(C4CCOCC4)cc3Cl)cc2O1	ir: 0 1 1 1 1 1 1 2 3 4 5 5 6 9 5 10 4 8 7 22 100 71 21 2 3 3 3 3 1 1 1 1 1 1 3 1 1 1 1 1 1 3 1 1 1 2 1 0 0 2 2 1 5 18 21 9 2 1 4 1 1 5 2 2 2 5 16 16 5 6 6 24 4 6 4 5 5 28 18 20 3 1 5 2 9 11 9 2 1 1 2 1 11 1 2 6 4 2 3 2 2 1 2 1 2 1 2 1 1 2 2 10 11 6 5 3 4 4 10 5 2 2 2 1 5 4 4 2 2 1 1 1 2 2 2 5 1 1 1 1 1 3 2 8 18 2 1 1 1 9 11 7 7 7 3 1 0 0 0 0 0 6 19 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 3 2 5 2 1 1 1 5 3 8 30 7 15 36 18 11 1 0 1 1 1 0 8 28 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 dd 1H J 8 21 \| 71 70 m 1H \| 70 69 dt 1H J 9 86 \| 69 69 d 1H J 85 \| 66 66 dd 1H J 23 87 \| 65 65 d 1H J 23 \| 42 42 t 2H J 64 \| 42 41 t 2H J 64 \| 36 35 ddd 2H J 34 62 112 \| 35 34 ddd 2H J 34 61 112 \| 31 30 m 1H \| 29 28 dddd 1H J 9 56 82 147 \| 28 27 dddd 1H J 9 57 82 151 \| 25 24 ddd 1H J 55 82 139 \| 23 22 m 6H \| 20 19 m 3H \| 10 9 t 3H J 79	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccc2[nH]c3nc4ccccc4c(=O)n3c2c1	ir: 5 3 3 5 2 2 3 2 2 4 8 12 3 3 2 7 3 2 2 2 4 3 3 3 24 3 2 3 3 3 6 100 4 1 5 4 4 2 2 3 3 0 3 89 6 8 26 1 2 3 2 4 5 4 23 3 3 4 2 2 3 3 2 6 2 3 3 12 10 12 4 3 3 3 7 2 4 2 3 3 3 2 2 4 4 2 2 2 3 2 2 3 6 3 2 2 2 2 2 3 12 3 3 3 2 4 19 8 4 2 2 3 3 3 3 2 3 3 15 3 3 4 2 2 3 3 2 2 3 2 2 2 3 5 2 3 4 2 13 2 12 2 2 2 4 2 2 4 15 31 6 1 2 3 6 11 4 3 6 10 9 4 6 6 2 3 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 5 3 3 18 43 32 4 5 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 12 13 9 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 2 2 2 2 2 2 2 2 2; 1HNMR: 96 96 s 1H \| 84 83 dd 1H J 13 79 \| 77 77 ddd 1H J 13 69 84 \| 76 75 m 2H \| 75 75 ddd 1H J 12 69 81 \| 73 73 d 1H J 24 \| 68 68 dd 1H J 25 92 \| 41 40 q 2H J 67 \| 15 14 t 3H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC#Cc1cc(F)c(C2C(=O)C3CCC(C3)C2=O)c(OC)c1	ir: 0 0 0 0 0 0 0 0 1 1 1 1 1 1 2 1 1 1 2 1 2 1 4 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 6 2 1 1 1 1 3 1 1 1 1 0 0 1 3 3 1 0 3 0 1 1 6 2 0 2 8 20 4 1 1 8 1 4 2 1 2 1 0 0 0 0 0 0 0 0 1 2 1 0 1 0 0 0 0 0 0 0 1 1 1 2 1 0 0 0 1 1 14 1 2 2 1 1 2 0 1 1 1 3 2 1 2 2 12 2 7 1 1 1 1 1 0 0 1 0 0 0 0 1 1 1 1 9 12 6 7 4 1 1 1 0 0 0 0 12 1 0 1 2 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 1 1 1 1 5 3 3 2 1 2 5 2 100 9 0 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 dd 1H J 22 121 \| 70 70 d 1H J 22 \| 45 44 d 1H J 40 \| 39 38 s 2H \| 31 30 dqq 2H J 16 32 64 \| 24 23 m 1H \| 21 20 m 1H \| 20 20 s 2H \| 20 19 m 2H \| 18 17 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCC(CN)c1ccccc1	ir: 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 3 1 1 1 1 1 1 1 1 5 6 3 1 1 2 8 5 2 1 5 7 10 1 1 2 2 10 9 2 3 1 1 3 4 9 2 2 1 1 2 7 11 17 11 4 6 2 1 2 1 3 8 4 4 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 2 2 2 6 8 6 15 9 12 20 10 2 4 1 1 1 2 3 4 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 13 7 1 1 1 1 1 1 1 1 1 2 3 3 17 12 8 4 2 2 3 1 64 100 0 3 2 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 72 m 5H \| 32 31 m 2H \| 30 29 m 2H \| 28 27 tt 1H J 39 51 \| 15 15 t 4H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)S(=O)(=O)NCC1CCc2c(sc3ncnc(Nc4ccc5[nH]c(=O)sc5c4)c23)C1	ir: 6 4 10 5 3 13 11 8 8 12 11 4 2 1 6 5 14 16 12 10 47 14 8 8 14 7 5 2 3 5 10 3 1 1 2 3 2 5 22 7 26 7 22 40 31 15 9 10 7 4 1 2 2 13 23 33 6 3 8 23 7 3 3 28 6 14 12 13 3 100 5 3 4 9 4 2 3 3 1 1 2 1 5 3 2 3 7 40 5 2 4 7 4 2 1 4 17 7 3 3 3 4 9 25 21 83 24 5 22 12 15 48 37 14 3 2 3 2 2 3 3 2 2 8 16 4 2 2 2 1 1 2 2 2 6 13 3 2 3 2 3 3 1 8 2 1 2 5 3 3 27 2 6 84 12 15 5 43 40 2 2 3 2 1 12 3 2 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 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 2 1 1 1 2 2 2 2 2 2 3 2 2 3 10 2 3 13 11 4 3 2 2 2 1 0 1 2 1 1 1 1 1 2 2 2 2 6 9 20 21 24 62 40 28 12 4 2 2 2 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 87 86 s 1H \| 85 85 s 1H \| 77 77 d 1H J 26 \| 76 76 d 1H J 78 \| 76 75 dd 1H J 26 79 \| 52 51 t 1H J 70 \| 33 32 hept 1H J 83 \| 31 31 ddd 1H J 49 70 134 \| 30 29 dd 1H J 52 153 \| 29 27 m 4H \| 21 21 dq 1H J 52 103 \| 20 19 ddt 1H J 54 81 135 \| 17 16 ddt 1H J 54 81 135 \| 12 11 d 6H J 83	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CNc1ccc2c(n1)-c1sc(-c3ncnn3-c3ccc(F)cc3F)cc1CCO2	ir: 2 4 2 6 9 4 17 7 21 19 6 32 36 22 8 24 44 29 45 33 100 53 48 29 34 5 12 13 9 9 4 9 6 4 9 8 10 6 16 42 22 7 14 6 6 6 10 10 12 2 2 7 14 40 57 22 10 5 9 9 7 2 3 2 3 1 26 21 6 12 1 4 1 6 9 16 16 30 32 74 40 32 11 8 8 11 14 12 11 46 9 4 8 6 6 6 16 12 12 25 19 19 4 5 6 4 3 3 9 15 7 4 0 10 6 3 4 7 11 17 8 26 32 9 3 30 12 14 8 9 11 4 3 7 10 8 9 11 5 11 17 11 50 37 45 32 18 13 12 18 14 32 56 11 8 2 2 3 6 40 2 3 3 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 2 1 1 2 3 3 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 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 2 1 0 1 2 1 1 1 2 1 1 1 2 2 2 2 6 3 1 1 3 2 2 3 7 16 9 16 47 27 10 3 3 2 3 3 7 14 35 11 11 4 2 1 2 1 2 1 3 3 7 9 8 8 51 34 16 5 8 5 4 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 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 84 84 s 1H \| 79 78 t 1H J 62 \| 77 76 m 1H \| 73 72 t 1H J 9 \| 72 71 d 1H J 86 \| 70 70 m 2H \| 69 68 d 1H J 86 \| 44 43 t 2H J 57 \| 42 41 d 2H J 62 \| 30 30 td 2H J 8 56	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C)nc(OCc2ccccc2)c1CCl	ir: 4 3 3 3 1 1 4 3 2 6 8 2 2 5 3 4 4 7 5 7 11 4 3 2 6 7 7 4 5 6 8 10 5 4 4 16 24 6 19 11 35 23 29 8 6 28 19 4 3 2 2 2 2 2 2 2 2 2 2 2 2 4 5 22 4 6 22 10 17 19 8 16 13 8 6 13 4 5 4 2 2 2 1 2 1 1 4 2 7 17 4 2 2 2 1 1 2 2 3 3 8 4 2 2 2 1 2 4 2 1 1 1 6 5 5 1 2 1 4 2 5 4 7 11 4 7 5 8 10 4 4 3 4 8 14 35 13 5 1 2 2 2 6 38 29 9 15 4 5 23 2 5 9 3 2 5 3 2 27 86 19 8 2 0 1 3 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4 2 3 2 3 5 6 5 5 15 14 33 100 22 10 6 4 3 2 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 74 ddt 2H J 9 16 66 \| 74 73 m 2H \| 73 73 ddt 1H J 15 60 78 \| 64 64 s 1H \| 53 53 t 2H J 9 \| 48 48 s 2H \| 39 39 s 3H \| 24 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nc(-c2cnc3[nH]cc(C(=O)NC4(C(C)(C)O)CCC4)c3n2)c2ccc(F)cc21	ir: 1 3 5 4 4 4 5 2 3 2 2 4 10 4 4 4 3 1 0 1 2 1 1 5 2 3 4 4 14 13 2 7 1 5 8 13 1 2 1 7 23 5 1 1 2 8 14 100 11 2 1 2 6 1 4 15 14 3 2 1 3 6 2 1 10 4 4 4 1 2 3 2 2 3 3 5 7 4 18 9 5 4 4 4 7 4 2 7 2 1 4 4 12 4 2 2 9 11 3 3 3 3 7 6 6 2 2 1 1 1 1 2 1 2 2 1 1 3 2 2 4 5 2 1 3 1 1 0 37 5 3 9 6 4 2 2 2 14 1 1 1 0 0 7 2 22 30 3 2 1 1 5 84 31 6 3 2 3 1 0 0 1 1 11 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 2 1 2 1 1 0 1 3 2 4 1 2 4 4 11 10 6 28 10 5 11 14 6 5 16 85 19 6 5 4 2 1 4 1 1 1 1 2 2 4 3 9 15 53 9 4 1 3 2 2 2 1 1 1 0 1 1 0 1 0 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; 1HNMR: 92 92 s 1H \| 83 82 dd 1H J 50 83 \| 82 81 d 1H J 82 \| 78 77 s 1H \| 75 74 dd 1H J 21 122 \| 72 71 ddd 1H J 22 82 103 \| 39 39 s 3H \| 28 28 s 1H \| 21 20 dt 2H J 76 132 \| 19 18 ddd 2H J 72 79 129 \| 18 16 m 2H \| 12 12 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1c(Cl)nc(OC)nc1OC	ir: 7 4 2 4 5 4 3 4 5 3 3 4 5 6 3 5 5 4 4 4 8 7 12 7 5 10 6 5 4 3 3 4 5 3 3 9 16 11 9 8 10 96 90 46 10 2 5 7 4 3 4 5 6 3 5 3 8 6 4 6 6 4 4 5 4 4 23 17 14 5 12 7 4 5 6 5 4 3 4 4 3 3 4 4 3 3 4 4 3 3 5 4 5 7 5 4 3 3 4 4 3 3 4 3 3 3 4 4 3 8 13 6 4 4 4 4 4 4 14 17 12 18 12 4 6 9 19 17 7 7 14 58 9 8 5 4 5 4 3 5 6 3 19 25 11 0 5 100 51 86 48 0 2 7 5 0 2 6 4 1 3 6 4 1 3 6 3 1 3 5 3 1 3 5 3 1 3 5 3 2 4 5 3 2 4 5 3 2 4 4 3 2 4 4 3 2 4 4 2 2 4 4 2 3 4 4 2 3 4 4 2 3 4 4 2 3 4 4 2 3 4 3 2 3 5 3 2 3 5 3 2 3 5 3 2 3 4 3 2 4 4 3 2 4 4 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 2 3 4 4 4 5 4 4 3 3 5 4 3 3 5 4 3 5 19 12 9 4 5 4 2 4 5 3 2 4 4 3 2 4 4 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 40 39 s 6H \| 27 26 q 2H J 85 \| 14 14 t 3H J 85	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(CC2CN(Cc3ccccc3)CCO2)c1	ir: 1 2 1 1 2 2 0 2 2 1 1 2 1 1 0 0 0 0 0 0 0 0 3 0 0 1 1 3 3 4 8 6 3 1 1 1 3 1 3 8 24 4 4 3 3 3 37 3 2 2 2 1 1 3 1 1 1 1 1 1 1 3 1 1 1 1 3 2 6 3 1 1 2 2 3 1 6 9 4 3 2 6 2 1 1 1 1 2 27 5 3 3 2 2 1 1 3 6 21 9 1 1 1 1 1 1 1 1 0 1 1 1 1 2 2 1 1 1 1 2 1 1 1 1 1 2 3 3 2 2 1 4 1 1 5 10 2 2 2 5 15 5 2 2 1 1 4 1 0 0 1 0 3 1 2 4 1 0 0 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 2 2 2 1 1 1 1 2 1 3 7 6 9 100 19 3 3 2 1 1 1 1 2 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 5H \| 72 71 t 1H J 78 \| 71 70 dtd 1H J 9 20 78 \| 70 70 dddd 1H J 8 14 21 79 \| 70 69 q 1H J 17 \| 42 41 tt 1H J 35 62 \| 38 38 ddd 1H J 32 59 103 \| 37 36 m 2H \| 36 36 m 1H \| 30 30 dd 1H J 36 118 \| 29 29 ddt 1H J 8 63 136 \| 28 27 m 2H \| 27 26 ddt 1H J 8 63 136 \| 26 25 ddd 1H J 32 59 125 \| 23 23 d 2H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1ccc2c(c1)CCN2c1nc(Cl)nc2[nH]cnc12	ir: 2 2 5 3 1 1 2 2 2 2 2 1 2 2 3 2 5 2 3 3 1 2 2 1 2 3 7 3 9 2 2 1 3 8 3 2 2 2 2 1 2 24 2 1 1 2 6 3 4 6 3 1 2 2 18 7 2 2 1 1 2 2 2 5 2 3 2 0 13 9 5 3 1 2 6 5 2 2 8 4 2 1 8 2 3 6 13 2 4 6 3 35 9 23 4 15 10 48 27 6 2 3 4 2 0 2 16 5 2 2 3 2 2 12 7 3 2 4 7 3 6 2 4 15 9 7 4 6 2 3 3 4 2 2 2 1 1 1 2 1 1 1 18 2 1 1 2 11 2 2 6 2 12 3 2 2 2 1 2 11 3 2 2 2 2 1 32 1 2 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 2 2 7 6 4 4 2 2 2 2 4 19 10 4 8 100 17 11 4 7 3 3 2 2 5 7 61 31 4 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 81 80 d 1H J 57 \| 71 70 dd 1H J 25 87 \| 70 70 dt 1H J 9 25 \| 68 67 d 1H J 87 \| 43 42 t 2H J 50 \| 31 30 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCN1c2cc(N)ccc2Sc2nccnc21	ir: 17 16 9 22 17 10 4 11 7 3 0 27 33 6 3 3 7 20 6 3 3 3 2 3 3 3 2 3 3 2 2 3 4 7 5 4 4 3 3 3 3 3 3 4 3 3 3 3 3 4 16 5 6 23 26 7 3 3 6 3 3 2 2 3 3 4 5 9 5 4 20 16 3 3 19 36 4 4 10 29 15 9 5 4 14 16 4 6 4 24 18 5 2 2 3 3 3 2 3 3 12 5 5 19 2 2 4 3 1 13 4 2 0 2 13 60 31 4 3 3 2 5 6 6 1 2 4 4 5 5 3 2 1 2 2 2 1 2 3 8 7 4 3 2 2 21 3 3 2 6 3 2 6 27 20 8 40 14 4 4 3 1 5 36 25 5 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 3 2 2 2 2 2 2 2 2 2 3 3 3 3 4 4 2 3 2 3 5 6 4 7 23 19 14 4 2 2 3 2 2 2 3 2 2 2 3 2 3 5 26 97 5 2 2 3 2 2 2 2 3 3 100 85 5 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 2 2 2 2 2 2 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 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 82 82 s 2H \| 76 75 d 1H J 79 \| 72 71 d 1H J 21 \| 66 65 dd 1H J 21 80 \| 54 54 s 2H \| 47 47 s 2H \| 34 33 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)c1cccc(-c2cc(C3CCNCC3)nnc2-c2ccncc2)c1	ir: 1 2 2 1 1 2 2 2 1 2 5 6 5 11 5 4 3 5 3 3 4 2 2 6 11 4 3 3 2 6 10 11 45 11 5 6 21 6 10 2 3 2 4 1 1 2 3 15 30 2 9 1 1 4 3 2 6 2 2 2 1 1 7 13 2 2 15 12 13 36 15 3 17 26 22 3 6 4 2 3 2 3 2 1 2 2 1 1 2 2 2 2 3 2 5 13 6 4 2 9 2 3 3 2 1 1 2 6 6 5 1 18 8 9 10 19 65 13 9 16 4 10 8 5 4 5 13 31 16 28 6 2 10 16 2 2 2 2 8 3 5 20 3 6 3 2 8 4 3 2 1 1 8 2 6 4 1 2 2 0 10 6 6 3 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 4 4 7 9 18 52 100 14 4 3 2 2 2 2 1 1 1 2 3 2 2 2 1 3 16 15 5 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 86 m 2H \| 80 80 t 1H J 20 \| 79 78 s 1H \| 78 77 dt 1H J 19 107 \| 77 77 m 3H \| 75 75 dt 1H J 20 68 \| 32 31 m 1H \| 32 31 ddd 1H J 24 31 62 \| 31 31 m 1H \| 30 29 dddd 2H J 31 38 58 134 \| 23 22 p 1H J 38 \| 22 21 dtd 2H J 31 60 152 \| 19 18 dtd 2H J 31 61 153	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1cccc2c(CCO)c(Br)cnc12)c1c(Cl)cccc1Cl	ir: 1 0 0 2 1 1 1 1 0 1 2 1 0 0 1 0 1 1 1 0 1 2 7 7 1 1 0 1 3 1 1 1 1 1 3 1 1 3 6 3 3 4 7 5 5 40 48 45 10 1 1 1 2 0 1 2 2 2 1 1 0 0 0 1 1 1 1 1 1 1 1 0 0 0 0 0 0 1 1 1 1 1 2 1 1 14 35 10 12 2 1 1 1 9 10 2 1 1 1 2 3 1 1 1 1 1 1 0 0 1 1 2 3 3 4 2 7 1 1 1 0 1 1 0 1 2 1 2 5 7 4 1 0 1 1 1 1 9 10 9 2 5 10 7 3 8 3 3 6 3 5 7 15 2 1 23 1 1 1 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 0 0 0 1 0 0 1 1 1 0 0 1 1 1 3 2 4 11 9 6 2 1 1 2 8 100 5 0 1 1 0 0 1 2 0 0 1 1 1 3 16 23 12 10 3 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 s 1H \| 78 77 dd 1H J 11 86 \| 76 76 dd 1H J 11 88 \| 75 75 dd 1H J 68 93 \| 75 74 dd 2H J 13 80 \| 74 73 m 1H \| 39 38 q 2H J 59 \| 34 33 t 2H J 59 \| 20 19 t 1H J 59	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2ccc([C@H](CO)NC(=O)[C@H]3C[C@@H]3c3cccs3)cc2)cc1	ir: 2 2 3 2 1 4 3 4 2 2 5 4 6 30 5 6 5 10 12 6 8 10 4 4 6 11 9 14 20 6 8 3 2 12 11 14 22 31 17 28 18 21 19 8 35 5 3 1 2 3 5 8 63 15 7 4 7 4 2 1 2 3 5 2 3 3 2 8 2 8 5 1 2 3 2 0 8 7 6 1 2 2 1 2 3 3 7 5 3 7 8 6 19 18 9 7 10 76 7 9 7 7 3 6 7 6 4 3 9 11 0 2 5 5 17 11 4 4 2 1 4 3 2 2 5 2 1 2 4 3 5 6 2 2 1 2 2 1 2 8 9 4 19 54 29 25 26 11 6 3 14 13 13 9 4 3 2 1 1 2 2 1 1 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 1 1 1 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 2 1 0 1 2 2 1 1 2 2 1 1 2 2 1 4 5 6 3 10 6 25 52 37 51 55 100 79 15 12 4 4 2 2 1 1 2 1 1 2 2 2 1 4 4 14 53 14 2 2 1 2 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 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 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 76 75 m 2H \| 75 75 m 2H \| 74 73 m 2H \| 73 72 m 3H \| 71 70 m 2H \| 67 66 d 1H J 91 \| 50 49 m 1H \| 39 38 ddd 1H J 42 56 124 \| 38 37 ddd 1H J 42 56 124 \| 32 31 t 1H J 56 \| 27 26 ddd 1H J 53 63 95 \| 24 24 d 3H J 8 \| 23 22 m 1H \| 18 17 ddd 1H J 53 69 82 \| 15 14 dt 1H J 61 82	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1nc(Nc2cc(C3CC3)n[nH]2)c2cc(N3CCCCC3)ccc2n1	ir: 3 3 4 17 9 9 7 4 3 5 4 4 4 5 12 6 4 3 3 3 3 3 3 27 7 4 5 4 4 12 11 5 3 4 3 3 4 5 5 2 7 5 2 3 2 3 3 3 4 4 5 6 8 12 28 10 6 100 43 0 8 5 4 3 3 3 2 1 4 2 3 2 13 35 8 3 4 3 3 2 3 3 2 3 4 6 3 2 3 4 3 3 3 3 4 3 4 9 8 12 14 5 3 3 3 3 15 5 3 7 5 6 13 6 6 11 6 3 11 20 4 3 6 4 3 4 4 2 3 2 2 3 4 2 2 2 3 3 14 4 4 31 3 4 4 8 5 5 4 5 7 84 30 28 4 4 3 3 3 3 3 9 6 2 7 1 2 4 28 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 2 3 3 3 3 5 5 4 5 3 13 13 13 16 4 4 3 2 2 3 3 3 2 3 2 2 2 2 3 4 4 4 5 10 8 8 6 61 68 15 9 4 5 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 96 95 s 1H \| 88 88 s 1H \| 79 78 d 1H J 77 \| 76 76 d 1H J 22 \| 70 69 dd 1H J 22 77 \| 64 63 d 1H J 7 \| 34 34 m 4H \| 19 18 m 1H \| 17 15 m 6H \| 11 10 m 2H \| 9 8 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl	ir: 6 5 11 16 25 10 7 9 6 5 6 4 3 8 7 17 29 12 7 2 1 7 7 2 1 4 4 1 1 5 5 2 4 15 6 11 100 51 4 5 5 5 4 1 2 5 3 1 6 6 3 0 3 5 13 10 4 7 3 1 45 35 9 6 15 61 20 15 29 14 12 5 4 5 4 3 3 5 4 4 12 43 14 10 18 49 21 88 89 51 34 86 37 12 8 5 6 5 70 48 19 10 1 2 6 3 0 3 6 3 3 7 17 89 31 19 14 10 4 4 10 3 1 4 7 8 13 18 12 4 2 8 6 2 0 5 6 2 14 19 4 3 2 4 4 1 2 11 26 16 2 8 5 2 6 5 4 1 2 5 3 2 2 5 3 0 2 5 3 0 2 5 2 0 3 5 2 0 3 5 2 0 3 4 2 0 3 4 2 1 3 4 2 1 3 4 1 1 4 4 1 1 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 0 2 5 3 0 2 5 3 0 2 5 2 0 3 5 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 4 4 1 1 4 3 1 2 4 3 1 2 4 4 1 2 4 3 1 2 4 3 1 3 5 7 2 12 18 29 17 42 22 4 1 3 5 3 2 4 5 2 1 3 4 2 1 3 4 2 1 3 4 1 1 4 4 2 1 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 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4; 1HNMR: 80 80 dq 1H J 9 20 \| 78 77 d 1H J 74 \| 77 76 m 1H \| 28 28 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cnc2c(S(=O)(=O)NC(C)(C)C)cnn2c1Nc1ccc(C)cc1Cl	ir: 2 2 5 3 2 2 2 3 1 2 2 2 1 1 1 1 5 2 1 2 13 8 6 2 1 1 1 1 1 1 2 1 2 2 2 2 3 1 3 4 6 26 47 13 7 5 4 3 3 5 4 2 6 3 5 2 8 0 1 1 1 2 1 1 1 1 3 2 4 4 8 6 2 1 1 2 1 0 1 1 1 1 1 1 7 9 4 2 3 0 3 4 1 4 2 2 0 5 2 3 2 4 2 1 0 1 1 1 1 1 1 5 1 1 3 6 6 9 17 5 4 16 8 6 1 4 3 2 7 5 4 4 13 10 4 1 1 1 0 0 1 1 2 1 9 3 12 1 1 6 2 2 3 2 1 1 1 0 1 30 22 14 2 8 27 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 2 1 5 3 3 9 6 3 1 1 0 0 1 0 0 0 1 1 1 1 1 1 1 2 4 13 53 100 21 26 19 11 4 2 1 1 1 0 0 1 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 94 94 s 1H \| 88 88 s 1H \| 86 85 s 1H \| 72 71 d 1H J 81 \| 71 71 m 1H \| 71 70 ddd 1H J 9 25 79 \| 63 62 s 1H \| 43 42 q 2H J 71 \| 23 23 s 3H \| 14 14 t 4H J 71 \| 10 10 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C[C@@H](NC(=O)N[C@@H](C)c2ccc(OC)cc2)c2nc3ccccc3[nH]2)cc1	ir: 1 1 1 2 1 1 1 1 1 1 0 1 2 3 2 3 1 1 2 1 2 2 3 3 2 3 12 5 3 2 1 1 1 1 2 1 1 2 2 1 3 12 100 18 3 1 1 2 1 1 3 2 1 5 4 7 4 3 1 1 2 2 1 4 1 1 1 1 1 4 2 4 1 1 4 2 1 0 1 1 1 1 1 1 1 1 1 2 3 3 2 1 1 1 1 1 1 3 2 3 1 1 1 1 0 1 4 4 2 3 5 2 2 1 1 1 1 1 1 1 2 2 2 2 1 2 2 3 2 3 1 1 1 1 3 5 1 2 1 3 3 4 1 5 3 7 11 5 35 7 37 11 8 3 1 2 1 0 0 1 0 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 3 2 2 1 5 8 14 48 18 6 5 2 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 3 2 4 17 21 10 23 2 2 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 m 1H \| 75 74 m 1H \| 74 73 d 1H J 79 \| 73 72 m 2H \| 72 71 m 2H \| 71 70 dq 2H J 9 81 \| 69 68 m 4H \| 56 56 d 1H J 86 \| 53 53 dt 1H J 52 79 \| 52 52 m 1H \| 38 38 s 6H \| 33 33 ddt 1H J 9 53 150 \| 31 30 ddt 1H J 9 53 150 \| 16 15 d 3H J 57	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(c2ccc(C(=O)Nc3cccc(C(N)=O)c3N)cc2)CC1	ir: 1 2 6 2 7 4 3 2 4 2 6 9 5 6 7 8 8 3 4 3 6 12 7 7 3 3 4 3 3 5 5 6 8 16 11 4 5 6 4 5 19 34 18 12 32 21 9 6 7 7 8 3 3 5 3 8 7 1 3 2 1 1 2 2 2 1 1 1 2 2 2 1 1 1 1 4 1 3 3 1 1 2 1 5 19 2 1 1 1 1 1 1 1 4 1 1 1 4 3 1 6 1 0 1 2 2 1 1 2 1 5 4 7 3 2 2 3 3 1 3 2 1 5 6 2 2 1 4 2 1 2 2 2 3 3 9 3 4 2 7 12 7 19 8 15 9 8 2 3 4 10 54 69 38 13 11 8 27 10 7 11 7 3 5 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 1 2 1 1 1 2 3 1 10 6 4 45 11 6 2 1 1 1 1 1 1 1 1 1 1 0 1 3 1 20 100 17 4 5 10 5 8 12 5 3 8 74 80 6 3 1 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 97 97 s 1H \| 78 78 m 2H \| 77 76 ddd 2H J 11 79 194 \| 73 72 m 2H \| 71 70 m 1H \| 68 68 s 2H \| 68 68 s 2H \| 38 37 ddd 2H J 57 84 121 \| 36 35 ddd 2H J 58 85 123 \| 29 28 m 1H \| 22 21 ddt 2H J 57 86 130 \| 19 18 ddt 2H J 56 84 130 \| 15 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)OC[C@@H]2CC=CCC2)cc1	ir: 9 2 1 1 0 1 1 1 1 9 1 6 3 7 2 1 0 0 0 0 0 0 0 0 6 1 0 0 0 1 1 10 7 2 1 0 1 2 2 1 0 1 2 7 2 7 2 1 1 0 0 1 12 3 1 1 0 0 1 1 1 1 1 1 2 11 3 3 4 8 2 1 0 0 0 0 1 1 0 0 1 9 1 2 100 1 1 2 23 2 0 0 3 8 3 0 1 3 1 0 1 0 0 0 1 2 1 1 2 1 0 0 0 0 0 1 1 1 2 5 2 1 1 1 0 2 2 1 0 0 0 0 0 1 1 0 0 1 1 0 0 0 0 0 1 0 1 6 2 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 3 2 3 9 9 7 2 1 2 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 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 m 2H \| 75 74 dd 2H J 11 76 \| 56 55 m 2H \| 40 40 dd 1H J 67 120 \| 38 37 dd 1H J 67 119 \| 24 24 d 2H J 11 \| 22 21 m 2H \| 21 19 m 2H \| 20 19 m 1H \| 18 17 m 1H \| 15 14 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1cnn(-c2ccccc2)c1C(F)(F)F	ir: 2 3 3 1 3 12 0 2 2 1 1 2 3 4 1 9 8 6 3 2 2 2 1 1 2 4 4 4 2 1 2 6 7 6 7 2 6 8 7 2 2 2 7 10 12 1 2 2 2 1 1 2 1 2 2 2 1 1 1 2 1 1 2 7 6 1 2 6 4 3 2 2 2 1 2 6 12 2 6 7 6 2 2 2 1 1 2 1 1 1 2 2 1 2 2 3 2 14 100 9 6 3 2 4 11 17 6 8 8 8 2 4 8 34 4 2 1 2 2 2 3 2 2 1 2 2 1 25 8 2 3 2 2 3 7 10 33 5 4 3 2 9 21 5 6 4 2 2 1 2 2 3 9 3 2 1 1 2 2 1 19 12 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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 1 1 2 1 1 1 2 2 1 2 4 3 0 13 77 15 13 5 3 3 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 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; 1HNMR: 82 82 s 1H \| 78 78 m 2H \| 75 74 m 2H \| 74 74 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CN(Cc2ccc(N)cc2)CCN1C(=O)OC(C)(C)C	ir: 9 8 22 9 9 7 7 4 4 6 5 9 6 5 5 4 4 4 4 4 4 3 3 5 3 3 3 3 3 4 3 3 3 3 3 3 3 4 4 3 3 4 3 3 3 4 3 3 3 5 4 6 5 5 10 12 19 7 4 5 4 3 4 3 3 3 4 3 3 6 3 3 3 2 3 3 3 4 4 14 10 7 3 3 4 4 14 7 7 5 3 3 3 3 3 3 4 6 7 4 5 3 3 4 3 3 5 4 3 3 2 3 3 4 3 4 5 5 8 5 7 5 5 5 4 3 4 5 4 6 5 6 5 7 4 5 4 4 3 3 3 2 2 3 3 2 2 3 3 3 7 18 5 1 5 27 100 24 7 0 3 4 6 12 2 5 3 1 2 4 2 1 2 4 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 3 3 4 3 4 4 7 13 5 6 6 7 3 3 3 3 3 3 3 2 2 3 3 2 2 3 3 3 10 19 5 2 2 3 3 2 3 5 3 3 35 37 5 5 6 3 3 2 3 3 2 3 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 72 72 dt 2H J 9 80 \| 66 66 m 2H \| 45 44 s 2H \| 40 39 qdd 1H J 29 57 84 \| 36 34 m 4H \| 31 29 m 3H \| 25 25 dd 1H J 56 107 \| 15 14 s 8H \| 13 13 d 3H J 82	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc(Cl)ccc1Nc1ccc2c(ccn2Cc2cccc(OCc3ccccn3)c2)c1	ir: 0 3 4 8 4 4 6 5 2 4 2 1 0 7 7 2 4 5 4 3 4 14 20 31 6 12 14 4 9 55 52 21 8 6 4 4 8 24 58 30 7 3 6 3 4 7 24 20 14 2 3 2 3 5 42 49 22 8 6 2 2 2 1 2 3 2 2 9 14 20 14 11 4 0 3 4 20 72 11 6 8 7 7 5 3 4 3 3 4 8 6 4 4 3 3 3 2 2 4 3 8 3 4 3 6 25 11 4 5 2 1 2 5 20 3 2 2 2 1 8 4 4 2 3 3 6 3 7 3 3 2 4 9 10 5 12 16 8 12 13 9 11 3 2 7 2 4 8 26 6 3 5 7 14 12 16 16 69 15 3 3 3 4 3 1 56 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 2 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 2 1 2 1 1 1 2 2 3 3 5 5 33 100 51 12 8 5 5 2 1 2 4 5 4 1 1 2 1 1 1 1 1 1 3 7 7 5 26 19 6 5 4 3 3 3 2 2 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 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 86 86 dd 1H J 17 41 \| 80 79 d 1H J 24 \| 79 78 td 1H J 16 74 \| 76 76 dq 1H J 10 74 \| 76 75 d 1H J 82 \| 74 73 m 3H \| 73 72 m 3H \| 72 72 s 1H \| 71 70 ddq 1H J 10 20 70 \| 70 70 dd 1H J 22 82 \| 69 68 ddd 1H J 11 21 81 \| 67 67 tt 1H J 9 20 \| 67 66 dd 1H J 22 50 \| 54 54 q 2H J 9 \| 53 52 d 2H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(C(=O)NC(Cc1ccc(O)c(C(C)(C)C)c1)c1nc(C)cc(=O)[nH]1)C(C)C	ir: 4 5 11 7 5 3 3 2 2 3 4 3 7 3 2 11 3 15 10 3 5 7 5 5 4 15 5 6 4 4 4 4 6 3 3 6 5 10 32 12 11 12 12 10 37 23 29 12 6 7 11 10 6 17 31 20 3 6 2 4 7 16 8 16 20 9 7 3 4 7 8 9 6 5 4 8 11 26 10 5 5 15 11 17 12 7 3 14 2 2 3 4 13 9 6 5 6 9 11 11 11 4 6 10 7 4 9 14 16 4 7 7 6 19 10 5 6 9 11 8 4 9 7 5 12 4 2 6 6 11 8 8 4 6 9 4 3 2 2 2 4 7 12 17 15 27 18 15 16 11 15 18 3 2 4 2 2 3 2 1 3 6 19 87 4 2 2 4 2 0 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 2 2 2 1 1 2 2 1 1 2 2 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 2 2 2 3 2 2 2 2 2 2 3 3 2 2 3 2 4 3 3 5 4 5 5 7 4 12 5 11 16 9 18 7 2 7 9 5 9 100 6 4 4 1 1 4 5 2 6 16 36 29 6 18 18 38 6 16 10 4 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 74 d 1H J 90 \| 71 71 dt 1H J 9 20 \| 70 70 ddt 1H J 8 19 77 \| 67 66 d 1H J 77 \| 62 61 q 1H J 13 \| 61 60 dq 1H J 44 70 \| 52 52 dt 1H J 61 88 \| 44 43 s 1H \| 33 32 ddt 1H J 9 62 137 \| 30 29 m 2H \| 25 25 d 3H J 13 \| 23 23 dd 3H J 15 44 \| 20 19 dq 1H J 62 124 \| 14 14 s 8H \| 10 9 ddd 7H J 15 62 185	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCc1ccc2c(c1)CCC(=O)C2	ir: 2 4 6 5 10 8 9 5 1 5 5 4 8 12 8 5 18 18 5 2 2 3 5 5 4 4 6 2 1 4 3 2 3 4 3 1 7 5 9 5 4 9 7 8 5 10 5 4 2 11 8 4 5 8 13 72 36 8 10 5 3 8 8 7 7 21 5 2 4 14 7 3 2 4 1 2 2 3 2 1 2 2 1 1 2 3 16 4 7 9 4 16 37 12 7 10 9 8 3 12 8 4 2 4 4 5 3 19 6 11 19 11 10 5 11 11 20 12 21 17 23 16 10 30 17 14 6 4 5 2 1 6 3 3 2 3 3 3 2 3 3 3 8 8 16 62 19 19 7 22 22 13 6 16 3 4 2 1 2 3 2 0 2 3 2 0 1 3 2 0 2 3 2 0 2 3 1 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 0 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 3 1 2 4 4 1 6 12 13 16 10 12 7 2 6 11 8 19 58 21 24 100 31 7 6 3 4 3 2 2 2 2 2 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2; 1HNMR: 71 71 dt 1H J 9 83 \| 69 69 ddt 1H J 9 20 84 \| 66 66 dt 1H J 10 20 \| 37 37 d 2H J 9 \| 29 29 m 2H \| 29 28 m 2H \| 26 25 tt 2H J 9 80 \| 16 15 m 2H \| 13 12 m 10H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc2[nH]c(C3(c4ccccc4)OCCO3)nc2c1	ir: 1 3 5 9 0 2 4 2 0 4 7 14 3 3 5 12 1 3 4 2 2 4 5 2 8 11 87 41 14 5 13 1 15 12 4 4 4 8 18 14 61 7 7 2 3 4 3 3 2 4 3 1 2 4 5 4 7 5 3 2 5 7 4 3 11 5 4 15 8 23 12 2 3 3 3 6 3 6 7 3 5 6 2 2 4 3 5 4 6 3 2 2 3 3 1 2 7 18 2 3 9 10 1 3 3 4 4 7 6 9 29 21 5 4 13 8 7 3 2 5 18 3 2 3 7 3 1 15 5 2 1 4 4 3 12 49 7 3 5 4 5 4 4 10 10 18 2 5 3 1 2 4 10 54 8 6 2 1 2 3 2 1 5 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 6 3 2 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 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 1 2 3 1 1 3 2 2 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 3 2 3 3 2 2 4 3 3 18 11 21 100 19 13 6 2 4 5 2 2 3 3 2 1 2 3 2 1 2 3 2 2 2 3 3 6 6 16 72 14 6 4 2 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 80 80 d 1H J 22 \| 77 76 d 1H J 63 \| 76 76 dd 1H J 22 62 \| 76 75 m 2H \| 74 74 m 2H \| 74 73 m 1H \| 42 41 m 2H \| 41 40 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(Cc1ccc(Br)cc1)C(=O)O	ir: 1 1 1 2 2 1 1 1 1 1 2 2 2 15 2 1 3 1 4 5 3 8 68 7 4 4 4 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 1 2 1 1 3 3 1 2 2 3 3 1 1 1 1 1 1 1 2 6 10 8 3 3 2 3 13 4 13 17 14 4 5 3 1 2 2 2 2 1 1 1 3 3 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 2 3 3 1 1 2 3 2 1 17 9 6 3 1 1 1 1 2 1 1 1 2 2 3 3 4 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 1 1 1 1 1 1 2 1 1 4 8 3 1 2 2 1 1 1 4 2 69 2 2 2 3 18 7 4 2 4 4 4 100 4 1 2 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 80 79 d 2H J 66 \| 78 77 s 1H \| 74 74 m 2H \| 73 73 dt 2H J 9 80 \| 40 39 tt 1H J 52 66 \| 32 31 ddt 1H J 8 52 147 \| 29 29 ddt 1H J 9 51 146	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C(=O)OCC)N(C)c1ccc(Cl)cc1	ir: 27 12 8 14 9 9 5 7 10 27 23 12 10 6 5 5 5 2 2 3 3 1 1 3 3 2 2 4 5 7 10 18 14 9 7 7 12 11 6 4 3 2 2 3 3 2 2 5 4 2 7 8 7 21 30 65 19 9 4 10 4 6 5 7 7 15 20 10 7 4 7 6 7 12 25 11 9 9 6 5 3 1 4 4 4 6 5 17 11 7 11 9 11 11 23 27 16 6 9 4 4 3 5 2 1 2 4 3 1 3 5 5 4 6 13 8 5 9 10 6 4 8 14 12 9 8 12 15 11 11 6 4 3 4 4 2 3 3 3 2 3 5 10 57 100 34 25 39 85 22 9 4 6 6 3 1 2 3 2 0 1 5 9 1 2 4 2 0 2 4 2 0 2 3 2 0 2 4 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 3 2 2 2 4 4 3 3 3 3 2 4 3 4 4 7 6 4 6 35 24 12 36 35 33 11 6 8 7 3 4 4 2 0 2 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 72 72 m 2H \| 69 69 m 2H \| 47 46 q 1H J 15 \| 43 42 p 4H J 63 \| 31 30 d 3H J 16 \| 13 12 t 6H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCCn1cc(CN(C(=O)[C@H]2CNC[C@@H](NC(=O)NC(C)(C)C)C2)C2CC2)c2ccccc21	ir: 2 3 6 3 2 3 3 2 0 1 2 2 0 2 2 2 1 2 2 1 1 2 2 2 4 4 5 2 3 8 4 5 3 2 3 13 4 5 6 9 41 14 26 99 52 94 14 9 8 22 6 12 29 31 15 10 16 4 3 4 2 4 5 3 3 2 11 11 4 5 2 5 2 3 2 4 6 10 3 7 3 1 2 2 1 1 1 4 2 1 1 3 2 3 3 4 3 3 4 5 2 7 5 8 5 9 7 7 10 15 22 31 59 16 25 28 7 4 4 9 9 8 2 7 4 2 10 11 14 9 7 9 12 5 2 4 4 8 10 10 3 2 9 9 38 7 8 9 5 8 90 100 20 5 8 4 3 1 1 2 2 4 1 3 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 2 1 3 2 3 4 4 3 3 4 4 4 7 4 2 18 11 7 12 10 8 15 29 7 3 3 2 2 1 1 1 1 4 3 2 4 5 14 60 9 17 65 54 95 39 19 8 3 2 2 1 1 1 1 1 2 1 1 1 2 2 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 77 77 m 1H \| 74 73 dd 1H J 15 64 \| 73 73 td 1H J 13 68 \| 72 71 td 1H J 13 70 \| 71 70 q 1H J 8 \| 67 66 s 1H \| 52 52 d 1H J 82 \| 44 44 d 2H J 9 \| 41 40 td 2H J 9 60 \| 39 38 ddtdd 1H J 15 26 42 70 85 \| 34 33 t 2H J 58 \| 33 32 s 3H \| 33 32 q 1H J 57 \| 31 31 ddd 1H J 27 53 124 \| 31 30 ddd 1H J 15 53 128 \| 29 27 m 5H \| 22 21 ddd 1H J 45 58 145 \| 19 19 p 2H J 59 \| 18 17 ddd 1H J 71 84 145 \| 13 12 s 7H \| 9 8 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.
COc1cc2c(Oc3ccc(Cl)cc3F)ncnc2cc1O	ir: 9 8 6 6 8 2 2 1 1 1 1 1 1 1 2 1 2 1 2 3 5 4 3 2 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 2 2 1 1 2 3 1 1 2 23 37 2 3 21 19 7 1 2 1 0 1 2 2 0 1 1 2 1 13 9 2 1 4 5 1 1 1 2 2 5 3 15 4 3 6 5 1 1 1 1 1 1 1 1 1 2 1 1 3 100 13 3 0 1 2 1 0 1 2 2 2 1 1 1 1 1 1 1 0 1 2 1 0 2 3 3 1 1 1 1 0 1 1 0 0 1 1 0 0 1 2 3 4 19 10 9 3 2 3 7 1 4 7 1 1 4 8 9 2 1 1 1 1 1 1 1 1 7 3 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 2 2 2 6 13 14 7 2 2 0 1 1 2 5 12 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 86 85 s 1H \| 83 83 s 1H \| 74 74 s 1H \| 72 72 m 1H \| 72 72 s 1H \| 71 70 m 2H \| 39 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(CO)C(=O)OC(C)(C)C	ir: 16 25 18 16 12 8 11 12 9 15 8 3 2 5 3 1 5 3 3 2 2 2 3 1 2 2 2 1 1 2 2 1 3 2 1 1 1 2 4 3 1 1 2 1 2 3 3 2 1 2 2 1 2 2 2 0 1 4 2 3 2 4 4 3 2 2 2 2 1 2 1 1 2 2 1 1 1 1 1 2 2 2 1 1 2 2 1 5 9 12 19 18 22 14 41 25 4 4 1 1 1 1 1 2 4 3 1 1 2 2 1 3 5 3 6 4 3 5 6 7 7 3 6 9 13 10 7 6 9 9 12 4 2 2 2 1 1 2 1 1 1 3 9 67 28 46 13 15 7 0 0 2 2 0 0 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 2 1 1 1 2 1 1 1 2 1 2 2 2 1 1 2 1 1 1 2 2 2 2 2 2 1 2 2 2 3 4 4 4 7 8 4 3 3 2 3 3 4 7 30 100 78 36 15 6 1 3 3 1 1 2 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 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 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 41 40 dt 1H J 60 120 \| 38 38 dt 1H J 60 120 \| 37 37 t 1H J 63 \| 37 37 s 3H \| 35 34 t 1H J 59 \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCC(CNC(=O)c2cccc3cccnc23)N(C(=O)c2ccccc2-c2ccccc2)C1	ir: 1 3 4 2 1 3 4 2 3 9 5 3 5 4 4 3 1 3 4 1 1 3 4 4 3 4 4 2 2 6 7 26 7 5 6 4 10 6 12 7 24 8 26 38 15 17 45 5 5 7 5 6 8 7 14 2 4 4 2 1 2 5 7 0 3 4 3 1 6 8 4 1 7 6 3 3 5 4 1 1 3 3 2 1 3 5 1 1 3 3 4 3 3 3 1 3 22 5 2 2 4 3 0 2 5 5 0 2 6 3 2 6 11 8 4 4 6 6 4 9 22 15 9 9 4 3 3 7 6 9 14 7 9 6 6 4 7 12 5 14 27 4 3 11 15 9 16 89 21 9 5 9 14 2 2 7 6 4 4 4 17 2 2 3 2 0 1 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 2 3 1 1 2 2 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 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 4 5 2 3 6 3 3 3 5 3 10 12 9 7 100 37 11 5 2 3 4 2 1 3 4 1 0 2 3 1 1 3 3 2 3 5 6 5 6 8 7 12 12 3 3 2 1 2 2 1 2 3 2 1 1 2 2 0 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3; 1HNMR: 90 89 dd 1H J 17 39 \| 83 82 dt 1H J 16 82 \| 81 80 dt 1H J 14 87 \| 80 79 dd 1H J 11 90 \| 78 77 dd 1H J 16 76 \| 77 76 m 3H \| 76 75 dd 1H J 40 83 \| 76 75 td 1H J 15 75 \| 75 73 m 6H \| 45 44 d 1H J 137 \| 43 42 d 1H J 137 \| 42 41 tt 1H J 45 60 \| 38 37 ddd 1H J 44 57 123 \| 35 34 ddd 1H J 45 58 123 \| 27 26 ddd 1H J 56 82 147 \| 26 25 ddd 1H J 57 82 148 \| 21 20 m 1H \| 18 17 ddt 1H J 59 82 139	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(=CNc1ccc(F)c(F)c1OCC(C)O)C(=O)OCC	ir: 8 2 6 3 6 6 7 4 2 6 5 9 5 5 3 5 3 3 2 5 10 5 2 5 2 3 4 3 2 4 3 6 5 2 4 2 4 9 10 7 3 4 6 10 36 43 7 5 2 2 3 3 3 10 58 20 3 0 1 2 1 0 2 3 5 3 1 2 1 2 5 3 4 3 7 6 3 12 6 4 1 0 2 2 1 2 4 4 3 4 6 13 59 13 12 8 2 4 2 3 2 6 4 2 1 1 2 2 2 1 2 1 5 11 19 4 2 6 4 7 2 2 3 1 0 3 3 2 8 7 4 2 2 5 2 1 4 7 19 3 3 7 12 27 51 7 8 100 5 2 2 3 2 2 4 3 1 1 1 2 3 1 1 1 2 2 2 2 5 24 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 1 1 1 1 0 1 2 1 1 1 2 1 1 3 5 8 1 7 11 14 4 2 2 6 9 8 3 2 1 1 1 1 1 1 1 1 1 1 1 2 4 4 4 9 14 57 19 6 2 5 4 3 1 2 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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; 1HNMR: 85 84 d 1H J 75 \| 75 74 dd 1H J 48 88 \| 71 70 ddd 1H J 49 88 103 \| 43 42 qd 5H J 22 71 \| 41 40 dd 1H J 48 114 \| 39 38 qdt 1H J 49 57 70 \| 36 36 d 1H J 55 \| 13 12 m 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OCCn1nnnc1Br	ir: 6 8 1 3 4 6 3 4 6 5 1 4 5 9 7 3 4 2 1 3 22 4 2 2 3 1 1 5 3 2 1 3 2 1 1 3 2 2 1 3 2 1 3 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 3 2 3 4 6 6 7 5 7 17 5 5 6 2 3 3 2 1 2 3 1 1 2 2 1 1 3 2 1 1 3 3 1 3 4 3 1 2 2 3 3 11 14 8 3 3 4 3 1 6 20 10 3 3 8 6 1 5 5 7 9 8 10 21 12 13 11 9 16 7 5 2 1 5 3 2 2 3 4 1 3 12 6 5 100 0 4 3 3 3 2 2 3 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 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 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 1 1 2 2 1 1 2 2 2 2 3 3 1 3 4 3 2 4 5 4 3 3 4 6 4 5 4 16 18 4 5 3 2 3 3 2 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 46 46 d 1H J 25 \| 46 46 s 3H \| 20 20 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)COc1ccc2c(c1)N(c1nc(-c3ccc(Cl)s3)nc3c1CCC3)CC2	ir: 3 2 2 1 1 2 2 3 6 3 3 4 2 7 4 3 3 4 7 5 4 4 6 5 9 9 23 22 25 12 8 5 5 4 4 5 10 16 12 49 9 4 3 2 4 7 3 3 3 3 2 1 4 13 10 3 4 14 9 2 3 2 2 1 7 2 2 2 9 9 11 4 7 7 5 6 12 2 1 2 5 18 4 2 3 13 3 1 2 6 2 3 2 2 3 8 4 2 2 5 5 3 1 2 3 3 2 4 3 3 2 2 4 4 5 2 3 2 2 2 5 3 4 8 16 5 3 2 4 3 0 4 4 1 2 3 3 0 1 6 4 0 20 17 3 12 20 6 8 18 100 9 39 7 59 7 29 22 16 10 12 6 25 17 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 3 3 2 2 4 3 12 10 5 7 28 14 4 4 2 2 1 1 1 1 1 1 1 1 1 3 4 4 4 8 3 1 1 1 1 1 1 1 2 3 9 20 3 2 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 d 1H J 77 \| 71 70 d 1H J 77 \| 70 69 m 1H \| 69 69 s 2H \| 67 66 m 2H \| 46 45 s 2H \| 42 41 t 2H J 51 \| 31 29 m 4H \| 28 26 m 2H \| 24 24 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](NC(=O)N(CCSC(=O)c1ccccc1)CCc1ccccc1)C(=O)N1CCN(C)CC1	ir: 2 3 10 4 1 2 2 1 1 2 3 7 4 2 2 2 4 2 5 1 0 1 1 1 2 3 3 7 3 17 21 20 9 11 5 6 4 3 4 4 56 26 15 12 12 6 12 8 3 1 1 3 2 1 1 1 2 1 1 0 2 3 1 1 2 3 2 5 3 10 3 1 3 1 4 4 4 3 9 5 21 7 3 2 3 6 3 2 2 7 4 1 1 1 6 3 1 8 8 5 2 3 5 5 2 6 3 4 4 4 1 5 2 3 3 3 4 2 4 3 2 4 4 6 11 5 12 5 4 4 4 4 8 9 7 16 9 5 10 54 7 4 2 25 9 6 9 63 32 14 6 3 52 2 2 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 2 1 2 1 2 3 1 3 2 3 2 8 24 10 17 100 12 7 4 1 3 2 0 0 1 1 0 0 1 1 0 1 1 1 1 2 2 10 6 4 13 8 9 5 4 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 m 2H \| 77 76 m 1H \| 76 75 m 2H \| 73 73 m 2H \| 73 72 td 3H J 13 72 \| 70 70 d 1H J 84 \| 45 44 dq 1H J 67 82 \| 36 34 m 8H \| 33 32 t 2H J 63 \| 29 28 m 2H \| 25 24 m 6H \| 14 13 d 3H J 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(c1c[nH]c2ccccc12)C1NC(=O)NC1=O	ir: 2 7 2 1 0 2 8 28 4 1 1 1 1 0 0 0 3 0 1 4 1 2 1 0 0 6 8 3 2 3 1 0 0 0 0 2 2 2 2 2 1 3 5 100 81 20 5 2 4 3 2 1 1 2 0 1 0 1 3 2 0 0 0 1 2 2 0 3 1 3 1 1 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 3 1 0 1 2 3 0 0 0 1 1 1 16 1 0 1 2 1 0 2 3 3 6 9 11 3 2 2 5 4 1 1 1 1 1 1 1 2 1 1 3 1 2 0 0 1 9 4 2 0 0 1 1 0 1 54 6 3 5 1 1 1 0 0 0 2 17 11 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 3 2 2 14 9 4 5 2 2 0 1 1 0 0 0 0 0 1 0 0 0 0 1 1 1 2 26 48 20 6 13 26 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 s 1H \| 84 84 d 1H J 71 \| 76 76 m 1H \| 74 74 dd 1H J 14 78 \| 72 72 m 2H \| 72 71 td 1H J 15 76 \| 68 68 d 1H J 62 \| 50 49 ddq 1H J 15 31 75 \| 16 16 d 3H J 14 \| 16 16 d 3H J 14	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1c(C(=CC=O)C(F)(F)F)cc(C(C)(C)C)cc1C(C)(C)C	ir: 26 13 26 6 6 3 2 4 6 4 5 3 4 6 8 4 4 3 2 3 4 3 3 4 5 4 3 4 3 3 3 12 4 3 3 4 3 3 11 15 5 2 25 5 3 3 4 3 26 5 4 7 4 2 3 4 4 5 6 4 4 5 14 17 5 9 28 24 22 15 12 9 6 7 8 40 10 7 13 38 11 23 41 8 8 5 4 5 11 27 8 7 5 5 4 6 13 30 0 100 10 12 18 97 3 4 9 33 6 5 5 7 11 14 6 6 5 13 21 24 26 26 19 9 12 18 33 15 11 14 21 15 7 6 6 12 7 8 6 6 6 11 16 13 6 4 3 3 28 4 3 2 3 3 3 2 3 4 3 34 20 7 8 32 47 8 5 6 6 6 4 4 4 4 3 3 3 4 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 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 3 3 3 3 2 3 3 2 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 9 6 5 3 4 3 4 3 5 9 5 9 9 71 39 7 25 62 85 17 11 9 3 5 4 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 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 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; 1HNMR: 95 95 d 1H J 60 \| 75 75 d 1H J 22 \| 74 74 d 1H J 22 \| 69 68 dq 1H J 22 63 \| 42 41 q 2H J 62 \| 15 14 d 2H J 62 \| 14 14 s 11H \| 14 13 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)c(NC(=O)Nc2cc(F)ccc2C(=O)NC2(C(=O)O)CCCCCC2)c(C)c1	ir: 2 2 1 1 1 2 3 2 3 4 3 4 3 4 7 12 9 15 3 15 25 46 81 8 8 4 7 2 2 3 6 16 9 3 3 2 4 1 9 10 17 26 7 6 3 21 30 18 31 17 9 2 2 6 9 1 3 4 3 0 1 1 2 4 3 4 5 8 3 5 3 2 3 9 4 11 20 5 10 9 6 2 2 7 4 3 4 9 3 3 3 1 2 5 2 1 1 1 8 1 1 1 2 2 6 6 6 4 2 6 2 6 3 3 7 3 4 3 3 1 2 2 4 2 2 1 2 2 3 4 2 2 2 2 4 5 4 10 4 1 1 4 24 31 11 13 27 4 8 2 22 14 3 9 9 12 38 19 5 0 1 2 6 12 6 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 0 1 1 0 0 1 0 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 2 2 2 1 1 2 3 4 5 2 23 36 11 3 3 2 1 1 2 2 24 85 16 2 1 3 1 2 2 1 3 2 2 7 20 41 100 23 5 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 1 1 1 0 0 0 1 1 1 0 0 0 0 0 1 0 0 1 0 0 0 0 1 1 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0; 1HNMR: 83 83 s 1H \| 82 81 s 1H \| 79 78 m 2H \| 71 70 ddd 1H J 21 82 104 \| 68 68 s 2H \| 23 22 s 3H \| 22 21 m 2H \| 22 22 s 7H \| 20 19 m 2H \| 16 14 m 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C	ir: 25 18 7 14 14 14 19 13 24 32 50 60 10 10 9 8 9 7 7 12 8 9 13 19 10 6 5 8 8 6 10 13 28 23 10 14 14 5 7 10 11 8 7 11 11 13 9 9 8 4 7 10 7 7 9 14 10 5 9 9 8 9 9 10 7 5 8 10 11 13 11 10 6 6 8 10 6 5 7 9 7 7 8 7 6 6 8 9 9 9 9 16 13 17 15 9 7 7 8 8 6 7 8 8 7 10 10 10 21 24 35 23 6 13 17 11 0 26 13 12 12 19 13 8 8 14 22 21 20 18 60 100 28 14 24 20 11 11 7 7 7 7 8 7 8 11 51 32 7 11 58 50 5 11 8 4 5 9 7 4 5 8 7 4 6 9 6 4 6 9 6 4 6 9 6 4 6 8 6 4 6 8 6 4 7 8 5 4 7 8 5 4 7 8 5 5 7 7 5 5 7 7 5 5 7 7 5 5 8 7 4 5 8 7 4 5 8 6 4 6 8 6 4 6 8 6 4 6 8 6 4 6 8 6 4 6 8 6 4 7 8 6 4 7 8 5 5 7 7 5 5 7 7 5 5 7 7 5 5 7 7 5 5 8 7 5 6 8 8 5 8 11 8 7 9 11 12 7 10 10 9 6 14 25 32 7 8 9 7 5 7 8 6 4 7 8 6 4 6 8 6 5 7 7 5 5 7 7 5 5 7 7 5 5 7 7 5 5 7 7 5 5 7 7 5 5 7 7 5 6 7 6 4 6 8 6 4 6 8 6 4 6 8 6 4 6 8 6 4 6 8 6 5 6 7 6 5 6 7 5 5 7 7 5 5 7 7 5 5 7 7 5 5 7 7 5 5 7 7 5 5 7 7 5 6 7 6 5 6 7 6 5 6 7 6 5 6 8 6 4; 1HNMR: 47 46 ddt 1H J 19 37 55 \| 36 35 m 1H \| 35 34 m 1H \| 30 29 s 5H \| 22 21 dddd 1H J 39 59 73 118 \| 20 19 ddtd 1H J 34 53 71 124 \| 19 17 m 2H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Sc2ccc(Sc3nnc[nH]3)nc2C(=O)Nc2ncc(C)s2)cc1	ir: 1 2 2 1 2 1 3 3 3 4 7 2 1 3 3 7 2 1 1 1 0 1 1 1 5 3 4 3 6 17 7 20 3 5 7 4 6 100 33 17 13 11 6 2 3 3 5 12 6 16 2 5 16 95 71 8 2 1 1 3 3 2 4 1 1 1 1 1 1 5 1 1 1 1 1 3 6 1 1 1 1 1 2 2 1 1 1 4 4 8 10 1 0 1 1 1 2 1 3 1 1 1 2 1 2 2 3 2 1 1 1 1 1 1 1 1 1 3 5 6 1 1 1 1 2 1 3 2 1 1 2 1 12 8 3 2 1 1 1 2 5 8 1 0 3 17 50 8 8 3 9 8 8 2 1 1 1 5 1 0 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 1 0 1 1 1 1 1 2 3 7 6 52 7 4 3 3 1 1 1 1 1 1 0 0 1 1 1 0 1 1 1 1 2 4 2 21 64 31 4 2 1 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0; 1HNMR: 77 77 d 1H J 70 \| 76 76 d 1H J 68 \| 74 73 d 1H J 8 \| 73 73 m 3H \| 69 69 m 3H \| 38 38 s 3H \| 24 24 s 3H \| 11 11 d 1H J 33	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCC=CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1	ir: 1 2 3 4 3 14 5 3 5 16 6 9 6 5 3 2 4 7 16 3 4 13 6 12 5 6 9 7 4 4 2 2 5 5 9 4 20 47 27 18 6 3 2 2 2 3 3 17 9 5 10 0 2 7 4 1 10 40 16 0 3 3 2 1 3 5 2 3 5 10 10 18 5 5 3 2 3 6 5 3 12 20 25 18 14 9 3 2 3 2 2 1 3 7 16 3 3 3 1 1 5 11 3 4 7 9 12 9 3 2 1 2 4 4 2 1 4 3 2 5 7 2 2 2 5 11 3 3 3 5 9 2 2 1 1 2 3 2 2 3 4 6 16 8 22 15 4 30 12 3 5 6 13 24 3 25 26 7 3 4 4 3 100 7 19 2 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 16 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 2 3 2 1 2 4 5 2 6 32 14 18 30 12 6 2 2 3 2 1 2 3 2 3 2 2 1 2 2 2 2 3 3 17 44 27 42 10 10 11 3 3 3 2 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 88 88 s 1H \| 87 86 s 1H \| 83 83 t 1H J 13 \| 78 77 d 2H J 13 \| 73 72 m 2H \| 71 71 t 1H J 15 \| 71 70 dt 1H J 24 62 \| 68 67 dt 1H J 44 150 \| 62 61 dt 1H J 13 150 \| 41 41 dd 2H J 13 44 \| 33 33 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N[C@@H](CNCC1CCOCC1)c1ccccc1	ir: 4 2 3 1 1 1 3 3 0 1 1 1 2 1 1 2 6 8 3 2 1 1 0 1 1 0 1 1 2 3 6 6 1 4 1 2 2 2 5 11 15 19 14 7 7 7 5 4 8 6 7 7 4 8 6 6 4 3 20 23 10 12 4 10 16 5 19 21 17 20 12 10 11 15 8 10 7 24 39 10 32 11 6 5 3 3 1 1 1 6 10 2 0 1 2 2 1 4 3 2 2 3 3 1 2 1 5 8 6 9 11 14 74 19 12 7 5 12 3 2 1 5 7 12 12 6 9 6 6 11 13 28 37 10 10 8 14 2 2 1 2 3 5 4 17 4 3 2 0 1 1 2 2 1 1 0 0 1 1 1 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 1 1 1 1 1 1 1 1 2 1 1 1 1 3 2 2 6 7 7 17 28 17 4 2 4 3 1 2 3 3 1 4 6 10 9 42 26 6 8 61 60 33 100 49 3 3 2 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 72 m 5H \| 42 41 tt 1H J 36 59 \| 37 36 m 2H \| 35 34 m 2H \| 34 33 p 1H J 61 \| 32 31 ddd 1H J 37 61 141 \| 30 29 ddd 1H J 36 61 141 \| 27 26 dd 2H J 47 61 \| 25 24 d 2H J 59 \| 18 17 m 3H \| 16 15 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(OC)C(CCCOC(C)=O)N(C1CCCCC1)C1CCCCC1	ir: 5 4 1 2 3 1 6 2 2 2 3 3 50 8 2 4 4 7 10 3 14 3 1 7 2 7 2 1 1 4 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 5 1 1 2 1 1 2 19 4 3 2 8 5 6 5 2 1 6 3 5 5 13 4 4 3 3 7 6 6 16 7 4 2 7 5 12 3 1 2 1 0 2 7 16 14 33 9 5 2 6 4 2 14 22 38 11 2 2 4 4 2 5 7 13 26 4 3 7 5 8 7 14 10 12 17 8 19 8 8 6 3 6 1 2 2 1 1 3 4 3 2 3 5 1 1 5 100 6 3 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 2 2 3 2 10 4 6 3 5 3 4 4 3 9 33 6 9 3 3 1 1 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 43 42 dp 1H J 16 64 \| 42 41 m 2H \| 34 34 d 6H J 15 \| 30 29 td 1H J 66 77 \| 28 27 p 2H J 60 \| 21 20 s 2H \| 19 13 m 25H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)c1	ir: 1 3 2 1 1 2 2 1 1 1 2 1 2 3 4 3 3 1 2 1 0 1 2 1 2 3 1 1 0 0 1 1 1 0 2 1 1 0 1 2 3 2 10 10 4 2 2 7 9 2 1 1 1 2 3 3 6 7 1 0 1 1 0 1 1 1 2 3 1 1 3 4 1 0 0 0 0 1 0 1 1 1 3 3 2 1 0 0 1 2 2 1 1 3 1 1 2 2 2 2 1 1 2 4 7 2 2 1 1 1 1 0 0 0 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 0 1 0 0 0 0 0 1 0 1 3 1 1 1 0 0 8 2 2 7 8 8 100 13 2 2 5 13 4 1 4 3 36 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 3 3 9 37 5 4 2 1 1 1 1 1 0 1 0 1 1 1 1 0 2 9 4 2 2 1 7 8 14 5 1 1 5 35 14 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 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: 90 89 s 1H \| 86 86 s 1H \| 76 76 m 2H \| 74 73 ddd 1H J 12 21 82 \| 73 72 dd 1H J 76 82 \| 71 70 t 1H J 21 \| 69 68 m 2H \| 65 64 ddd 1H J 13 22 77 \| 41 40 s 2H \| 37 37 t 4H J 34 \| 36 36 t 4H J 33	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccccc1C1(C#N)CCN(CCCN)CC1	ir: 2 2 1 2 0 3 6 3 3 2 2 2 2 2 1 1 1 1 2 2 1 1 0 1 1 1 1 1 2 1 1 2 2 0 1 4 2 1 1 1 2 4 8 8 3 1 1 1 1 1 2 2 2 2 4 20 30 3 2 4 2 4 2 1 2 2 2 5 16 100 18 64 12 8 5 7 2 1 3 13 35 11 12 1 2 12 10 9 4 4 3 10 7 2 3 1 2 2 3 2 1 1 6 3 2 3 3 3 1 3 2 1 0 1 3 2 1 1 4 3 4 2 6 11 11 10 6 6 5 7 11 17 9 20 9 18 16 17 25 14 3 3 3 2 3 2 2 1 1 3 7 6 3 2 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 0 1 7 25 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 0 1 1 0 1 1 1 0 1 2 2 1 2 4 3 1 2 4 2 1 2 6 9 2 13 31 19 10 2 1 2 2 2 2 1 2 2 7 29 34 34 22 6 6 3 3 1 23 47 2 3 1 1 2 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 73 73 m 1H \| 73 72 ddd 1H J 22 58 74 \| 72 71 m 2H \| 30 29 ddd 2H J 36 63 119 \| 28 27 m 4H \| 26 25 m 4H \| 23 22 m 5H \| 17 16 p 2H J 57 \| 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.
CCc1nc2c(Cl)ccc(OCC(=O)O)c2c(OC(F)F)c1Cc1ccc(CC(C)C)cc1	ir: 5 3 5 7 3 9 7 9 6 9 17 43 21 21 11 18 16 9 14 27 13 68 37 23 19 10 9 5 6 3 7 11 17 9 9 10 5 5 4 3 5 7 8 3 12 10 6 9 6 4 13 5 14 6 16 12 38 28 14 53 44 3 5 12 8 25 7 11 14 12 4 4 15 43 16 12 19 22 25 94 30 16 21 15 5 5 5 8 4 2 3 3 6 9 16 20 17 10 21 5 2 8 5 3 3 4 6 9 4 3 6 5 5 6 6 10 7 7 5 12 24 16 8 7 9 11 20 15 11 7 10 5 5 6 6 3 4 4 6 9 48 19 33 100 30 58 31 8 25 11 9 0 6 16 2 4 3 2 2 4 71 48 4 3 2 1 2 2 2 1 2 2 2 2 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 3 2 4 5 5 3 3 5 7 15 4 6 8 8 4 13 18 19 17 32 99 24 12 9 8 6 7 5 11 97 52 5 4 3 3 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 75 75 d 1H J 97 \| 72 71 dt 2H J 9 81 \| 70 69 dt 2H J 9 82 \| 69 69 d 1H J 97 \| 67 67 s 0H \| 46 46 s 2H \| 39 39 d 2H J 9 \| 29 28 q 2H J 75 \| 25 24 dt 2H J 9 70 \| 19 18 dp 1H J 70 139 \| 13 13 t 3H J 74 \| 9 9 d 6H J 69	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(c1ccc(OC(F)(F)C(F)F)cc1)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(F)(F)F	ir: 1 2 2 2 1 2 1 1 3 3 3 2 1 1 2 1 1 1 1 1 0 2 3 4 1 1 1 1 1 2 3 2 1 2 1 2 3 2 1 1 1 1 3 1 1 12 5 1 1 1 0 2 6 8 60 100 17 8 6 0 1 1 1 1 1 2 13 11 9 10 2 2 5 23 13 1 5 2 1 1 1 2 1 0 6 1 0 3 2 1 1 10 5 1 1 2 2 5 5 16 3 2 4 10 4 1 4 4 1 1 1 1 0 1 2 1 1 16 10 3 2 7 2 3 1 1 2 4 3 0 0 2 2 1 0 0 0 0 0 0 0 0 1 6 7 2 5 7 1 6 11 5 4 5 6 1 4 1 1 1 3 2 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 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 2 8 20 29 38 2 3 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 d 1H J 22 \| 87 86 dq 1H J 9 19 \| 71 70 m 5H \| 60 59 t 1H J 70 \| 35 35 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(OCc2cn3cc(-c4ccc(F)cc4)cnc3n2)cc1	ir: 3 2 1 4 4 4 3 4 2 4 6 6 7 6 2 2 3 2 4 5 5 3 2 3 2 1 1 3 3 5 1 4 3 2 6 3 2 1 1 2 2 1 1 3 2 0 2 7 3 0 4 17 38 51 100 42 11 24 6 1 6 4 2 1 5 4 26 6 29 22 4 4 5 2 2 2 2 2 2 2 2 2 2 2 2 3 5 5 3 5 3 3 3 2 2 2 2 2 2 2 2 7 12 3 3 14 3 4 2 2 2 2 1 2 2 4 2 2 3 2 2 8 9 3 4 3 3 2 4 2 2 2 1 2 3 2 2 2 2 2 3 3 3 2 3 35 21 54 9 12 22 16 16 9 28 7 2 4 2 2 4 3 2 1 2 3 2 2 2 2 1 1 2 2 2 2 2 2 2 2 1 2 2 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 3 3 4 7 13 16 70 27 23 22 24 6 4 3 3 3 2 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 96 96 d 1H J 13 \| 90 89 d 1H J 13 \| 80 79 q 1H J 6 \| 76 75 m 2H \| 72 71 m 2H \| 70 69 m 2H \| 69 69 m 2H \| 52 52 d 2H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSC(=N)Nc1cc(Cl)c(C)c(Cl)c1	ir: 0 1 1 1 1 2 2 2 2 1 2 5 7 9 8 6 2 3 3 3 4 10 11 3 5 4 5 11 13 28 33 16 23 17 15 11 5 3 4 2 1 1 1 1 1 1 1 1 1 2 1 1 1 0 0 1 0 0 2 3 1 1 1 1 1 4 9 13 9 3 2 3 7 3 3 7 6 1 1 0 1 1 1 0 0 1 0 1 1 0 1 1 1 1 1 1 2 5 2 2 2 3 4 9 7 6 4 5 15 6 2 2 1 1 2 1 2 1 1 1 1 1 2 2 3 1 2 2 0 1 1 1 1 1 1 1 0 2 14 11 34 22 8 3 8 18 21 12 4 0 1 1 1 1 1 3 5 1 1 1 0 5 39 4 6 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 2 2 3 5 9 17 8 1 1 1 1 1 1 1 1 1 1 1 1 5 23 14 5 1 1 3 7 8 61 100 16 7 4 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 75 75 s 1H \| 70 70 s 2H \| 69 69 s 1H \| 25 25 s 3H \| 24 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(Cc2nnc(Nc3ccc4c(c3)c(I)nn4C(=O)OC(C)(C)C)o2)c1	ir: 3 4 3 3 1 4 4 2 2 5 3 4 7 3 4 3 3 3 3 2 2 3 1 4 5 3 2 2 2 2 4 13 4 2 1 3 3 4 5 3 3 1 2 2 5 3 48 2 3 3 9 2 2 5 2 5 4 3 6 4 3 6 10 5 5 13 4 8 9 12 3 2 1 2 2 3 1 1 2 2 2 2 1 2 1 3 11 30 33 16 4 4 3 12 1 2 16 3 13 2 3 2 6 1 1 33 0 3 8 63 9 2 0 4 3 6 6 10 10 11 6 12 6 10 5 7 12 25 21 19 13 16 9 3 2 2 2 1 5 3 8 7 2 3 2 4 5 13 29 3 1 1 9 2 2 11 3 2 2 0 6 4 3 1 20 1 1 2 1 0 1 2 1 1 1 9 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 3 3 5 8 4 3 5 4 3 4 5 6 8 8 20 40 48 35 33 100 25 16 4 3 4 2 2 2 2 1 1 2 1 2 1 1 1 1 2 2 4 4 6 28 10 4 4 3 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 84 s 1H \| 83 83 d 1H J 85 \| 78 78 d 1H J 24 \| 74 73 dd 1H J 21 85 \| 73 72 m 1H \| 71 71 dtd 1H J 8 20 77 \| 68 68 dtd 2H J 12 21 50 \| 40 40 t 2H J 8 \| 38 38 s 3H \| 16 15 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc2cc(OC)c(N)cc2[nH]1	ir: 3 6 10 12 2 13 4 10 14 8 9 7 17 10 9 22 48 39 33 12 3 4 4 3 3 3 4 4 3 3 2 2 2 7 6 9 3 4 5 5 3 5 4 3 3 4 3 4 6 6 4 2 2 3 2 0 2 4 2 1 3 4 7 2 2 4 9 10 4 9 3 2 3 4 3 3 6 9 8 1 2 2 1 1 3 2 1 4 12 3 1 1 2 2 1 2 2 2 2 11 7 6 1 5 4 11 4 3 2 2 2 3 3 6 18 18 13 6 3 3 2 5 3 2 0 5 2 3 3 1 1 1 2 2 1 2 2 1 2 3 5 36 42 16 7 3 2 1 10 5 4 4 4 8 19 52 56 17 4 8 19 0 2 3 33 28 3 3 2 0 1 2 1 0 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 2 2 2 4 2 1 2 2 2 1 2 8 7 12 23 15 7 2 3 2 1 1 2 2 1 1 2 2 2 1 3 41 22 10 2 3 3 2 9 12 22 11 7 52 100 16 2 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 99 98 s 1H \| 73 73 d 1H J 23 \| 72 72 d 1H J 21 \| 68 68 s 1H \| 42 42 s 2H \| 40 40 s 3H \| 39 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C=O)cc(C(Cl)=C(Cl)Cl)c1	ir: 13 5 9 4 0 5 9 4 1 6 11 6 2 11 11 4 4 8 7 3 2 6 8 3 3 15 21 9 4 8 44 35 20 16 11 22 9 8 6 2 4 7 6 2 5 8 5 2 4 8 6 2 4 8 17 36 10 20 59 99 49 19 7 2 7 12 5 10 26 11 8 11 34 18 5 2 6 8 4 2 6 7 3 2 7 7 3 4 8 8 3 25 30 11 32 37 12 9 6 10 26 15 0 8 32 28 4 5 9 6 2 5 9 5 0 15 10 6 4 7 8 5 4 6 10 11 52 32 22 10 5 6 7 4 4 6 7 3 3 6 7 7 7 6 6 4 10 33 100 41 7 18 28 28 4 8 5 2 4 7 12 11 6 8 5 2 4 8 5 2 4 8 5 2 5 8 5 2 5 7 4 2 5 8 4 2 5 7 4 2 5 7 3 2 6 6 3 3 6 6 3 3 6 6 3 3 6 6 2 3 7 5 2 4 7 5 2 4 7 5 2 4 7 5 2 4 7 5 2 5 7 4 2 5 7 4 2 5 7 4 2 5 7 4 2 5 6 4 3 6 6 3 3 6 6 3 3 6 6 3 4 6 5 3 4 6 5 3 4 6 12 5 4 6 5 3 5 7 6 4 11 10 6 7 8 41 65 97 99 46 15 8 10 11 5 1 6 9 4 2 6 8 4 2 6 7 4 2 6 6 3 3 6 6 3 3 6 6 3 3 6 6 3 3 6 6 2 4 7 5 2 4 7 5 2 4 7 5 2 4 7 5 2 5 7 4 2 5 7 4 2 5 7 4 2 5 6 4 3 5 6 4 3 5 6 3 3 6 6 3 3 6 6 3 3 6 5 3 4 6 5 3 4 6 5 3 4 6 5 2 4 7 5 2 4 7 5 2 4 7; 1HNMR: 99 99 s 1H \| 79 79 t 1H J 23 \| 76 76 t 1H J 21 \| 74 74 t 1H J 22 \| 24 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(N)nc2c1cc(Br)c(=O)n2N1CCCC1	ir: 5 3 3 3 3 2 2 2 3 2 2 2 2 1 2 2 4 4 1 3 4 4 5 3 2 2 1 3 3 2 2 3 2 2 2 2 2 2 1 2 2 2 4 8 3 2 3 3 3 2 3 2 1 2 11 2 1 1 1 2 1 2 5 2 2 1 1 2 2 2 3 2 9 14 5 2 1 2 2 1 2 2 3 2 1 1 2 1 1 3 2 1 1 1 1 1 1 2 4 3 1 1 2 2 3 17 5 12 4 2 2 3 2 10 3 6 3 3 3 2 3 4 3 5 3 5 3 3 2 3 3 4 2 2 2 9 2 2 2 4 4 2 2 1 2 1 2 1 1 3 2 1 2 4 18 35 6 2 20 0 1 2 3 1 1 2 1 0 38 37 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 4 3 2 1 2 7 2 3 3 5 15 2 4 17 30 4 3 3 2 1 3 3 1 1 1 2 1 1 1 2 1 1 1 1 1 13 17 2 1 1 1 1 1 1 1 1 2 9 100 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 s 1H \| 64 63 s 2H \| 29 29 td 4H J 17 32 \| 25 25 s 3H \| 19 19 p 4H J 17	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOC(=O)[C@@H]1CC[C@@H](C(C)(O)c2nccs2)CC1	ir: 2 3 6 3 5 4 10 8 7 4 6 5 2 2 1 1 1 1 2 2 1 3 1 3 2 9 6 8 2 3 3 2 5 4 5 1 4 2 4 6 9 25 9 11 8 13 3 5 11 9 5 10 12 3 5 8 10 9 5 5 6 3 7 5 10 11 10 5 4 5 3 8 13 30 32 6 8 8 12 3 4 3 3 5 2 7 40 42 18 2 3 5 5 7 10 8 7 12 7 8 14 11 23 37 26 17 25 10 22 92 52 68 49 67 19 22 18 16 48 36 26 15 24 6 6 5 16 8 18 71 42 16 6 3 6 4 3 2 2 3 2 3 8 6 2 4 2 2 1 1 1 0 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 2 2 2 3 6 6 11 14 7 9 20 20 21 12 15 26 17 30 57 100 100 89 17 26 30 26 11 3 5 6 20 15 26 7 3 2 2 2 1 3 1 2 1 2 3 2 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 31 \| 73 73 d 1H J 33 \| 42 40 m 2H \| 36 35 s 1H \| 24 23 tt 1H J 44 71 \| 21 20 ddtt 1H J 15 33 77 92 \| 20 18 m 5H \| 17 17 d 3H J 14 \| 17 16 m 4H \| 16 15 m 2H \| 14 13 h 2H J 71 \| 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.
CCOC(=O)c1ccc(-c2ccc3nccn3n2)cc1	ir: 12 8 7 11 7 6 9 8 9 12 27 13 9 5 5 7 11 6 9 23 40 12 6 6 4 24 7 5 7 5 3 4 3 3 4 4 4 4 5 3 3 2 3 3 4 25 15 28 7 3 4 3 4 6 6 55 100 13 31 20 17 8 5 6 2 0 3 4 2 3 14 4 4 8 14 7 2 2 4 5 2 3 4 3 3 2 5 7 2 3 5 8 4 7 11 16 20 33 3 2 5 4 3 3 2 2 4 3 1 3 6 4 0 17 18 9 51 72 7 10 10 4 4 5 13 25 18 11 7 10 3 3 3 3 2 3 4 3 18 16 8 7 10 40 23 51 26 17 23 31 19 18 21 20 24 5 3 4 3 6 20 5 3 2 3 5 3 1 2 3 2 1 2 3 2 2 2 3 2 1 2 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 3 5 3 2 3 4 4 3 3 6 5 4 5 16 12 10 56 94 77 88 39 36 32 11 6 6 5 3 3 3 3 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 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; 1HNMR: 81 80 m 2H \| 80 79 d 1H J 42 \| 78 78 d 1H J 88 \| 78 77 d 1H J 88 \| 77 77 m 2H \| 72 72 d 1H J 42 \| 44 44 q 2H J 64 \| 14 14 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(C(F)(F)F)cn2)c1	ir: 5 3 4 4 3 4 4 3 4 2 1 2 2 2 1 2 3 2 3 3 4 4 2 2 3 3 3 2 3 2 2 2 2 3 7 6 9 6 14 5 9 5 11 2 3 3 4 5 3 3 2 1 4 15 38 16 30 2 2 3 1 1 2 2 2 3 7 5 11 7 4 3 2 1 3 2 4 3 5 1 1 1 2 2 1 3 2 3 5 4 5 3 4 3 4 3 3 9 42 16 36 3 1 15 5 3 1 4 8 9 4 6 20 18 10 7 4 4 3 2 2 2 2 3 4 7 4 2 3 3 6 14 6 1 1 3 5 6 25 6 4 3 6 10 7 5 4 5 4 25 38 4 9 25 6 3 3 0 2 10 100 6 2 3 2 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4 3 6 7 12 22 27 15 3 3 4 2 1 2 2 2 1 1 2 1 1 1 2 1 1 2 2 2 2 19 19 11 4 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 dq 1H J 14 25 \| 81 80 d 1H J 22 \| 80 79 m 2H \| 78 78 d 1H J 109 \| 77 76 dd 1H J 22 81 \| 76 75 m 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(CCOC(=O)C1CCC2OC2C1)CC(C)(C)C	ir: 3 3 5 4 5 4 39 20 9 13 5 7 11 2 1 2 8 7 2 1 1 1 0 1 1 4 4 1 1 0 0 0 1 2 4 6 9 1 0 2 2 9 4 2 3 1 1 1 3 2 2 5 1 0 2 1 1 2 1 1 2 3 7 7 10 4 2 1 1 8 7 2 1 1 4 6 3 1 5 12 4 9 5 1 1 1 0 0 0 1 0 1 2 5 3 2 8 7 4 11 4 2 5 2 7 10 15 10 4 7 3 10 27 18 34 9 10 14 13 24 13 7 3 4 7 3 3 3 3 2 4 4 3 5 3 6 2 1 2 2 2 2 4 21 100 10 7 3 2 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 1 1 1 1 3 4 2 6 12 4 9 4 4 6 4 6 24 44 15 22 4 2 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 42 41 dt 1H J 61 112 \| 41 40 dt 1H J 62 113 \| 33 32 m 2H \| 26 26 p 1H J 70 \| 23 22 m 1H \| 21 15 m 8H \| 15 14 dq 1H J 63 136 \| 14 13 dd 1H J 68 128 \| 11 10 dd 1H J 67 129 \| 9 9 d 3H J 62 \| 9 9 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1=NN(CC(=O)c2ccccc2)C(=O)C1(C)CC1CCCC1	ir: 7 4 5 2 4 2 3 2 4 2 5 3 3 4 5 3 8 5 5 13 8 9 20 8 5 1 4 8 5 1 17 100 76 15 31 29 22 7 11 18 6 12 23 17 10 6 6 3 2 1 3 3 3 1 4 3 2 2 2 2 2 2 3 4 2 4 6 5 12 2 4 3 2 3 6 3 4 3 13 17 5 1 1 1 2 5 3 2 2 1 1 2 1 7 5 5 6 4 2 3 3 2 2 2 2 2 13 9 12 8 14 11 8 6 10 9 29 31 18 14 40 15 26 40 18 9 3 10 8 8 4 9 23 7 6 2 4 4 5 6 7 23 77 77 48 18 6 5 5 0 15 62 14 3 2 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 4 3 3 3 8 5 5 4 4 7 8 15 18 33 30 32 59 66 13 3 3 4 4 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 m 2H \| 76 75 m 1H \| 75 75 m 2H \| 50 49 m 2H \| 20 20 m 4H \| 18 17 dd 1H J 56 125 \| 16 15 dddd 3H J 18 32 64 124 \| 16 15 m 1H \| 15 15 m 1H \| 15 14 m 1H \| 14 13 m 2H \| 12 11 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Nc1nccc2[nH]nc(-c3cc(C4CCN(C)CC4)ccn3)c12	ir: 1 1 0 1 1 0 0 1 1 0 1 1 1 1 5 2 2 3 2 2 2 2 5 6 5 10 10 2 2 1 1 1 2 0 2 8 2 4 7 2 24 4 2 1 1 9 3 0 0 1 2 0 0 0 2 1 0 0 0 0 0 0 0 0 1 2 2 2 9 2 1 1 8 5 4 7 1 1 2 2 10 2 1 1 0 0 0 1 3 2 1 0 1 0 1 1 5 5 4 1 7 2 1 1 3 4 0 1 1 9 5 1 1 1 1 3 1 1 0 1 1 1 0 1 1 1 0 2 2 2 15 4 1 1 3 5 3 5 12 1 0 1 2 4 15 2 6 1 2 7 1 1 2 1 1 1 11 11 1 1 2 100 7 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 1 0 1 0 0 0 1 1 0 0 2 2 1 2 10 5 2 1 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 1 1 2 3 6 15 18 10 12 4 2 3 2 2 1 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 86 d 1H J 47 \| 82 82 d 1H J 42 \| 77 77 dd 1H J 6 22 \| 76 76 d 1H J 42 \| 73 72 m 1H \| 67 66 d 1H J 73 \| 43 42 dhept 1H J 59 73 \| 30 29 ddd 2H J 58 85 119 \| 28 27 m 1H \| 26 25 ddd 2H J 58 85 119 \| 24 23 s 2H \| 21 20 ddt 2H J 57 86 128 \| 19 18 ddt 2H J 56 84 126 \| 13 12 d 6H J 59	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2nc(C=O)ccc2c1Br	ir: 6 3 0 4 9 6 1 3 5 2 0 4 5 2 1 5 8 5 5 10 12 13 14 13 7 2 3 5 5 3 3 7 9 3 5 4 5 1 2 4 6 12 31 6 4 0 4 13 9 2 3 6 3 10 100 61 53 12 10 8 3 9 5 10 6 6 11 7 3 1 4 5 3 1 4 11 8 1 4 5 1 1 4 4 1 1 4 4 1 2 5 4 2 2 5 4 1 3 10 19 6 3 6 32 17 9 7 4 1 5 10 7 1 3 6 3 0 3 6 3 1 4 6 3 1 5 8 3 0 4 15 63 10 5 6 2 1 4 5 1 2 6 5 2 2 7 24 96 53 28 7 5 5 7 6 23 33 25 46 4 3 4 3 1 2 11 3 0 2 5 3 0 3 5 2 0 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 1 1 4 4 1 1 4 4 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 0 2 4 3 0 2 5 3 0 2 5 2 0 3 5 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 4 4 1 1 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 1 3 6 4 3 4 8 14 17 83 86 74 6 7 9 5 5 4 7 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 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 3 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1; 1HNMR: 86 86 d 1H J 81 \| 82 81 d 1H J 82 \| 81 81 d 1H J 80 \| 72 72 d 1H J 81 \| 40 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C/C(=C\c1ccc(Cl)cc1)C(=O)C(=O)O	ir: 4 5 4 4 4 4 3 4 4 5 4 5 4 4 6 8 7 9 12 14 34 22 11 4 6 5 5 4 4 4 4 4 5 4 4 5 13 29 6 4 8 6 4 3 4 4 4 4 4 4 4 3 4 4 5 9 12 4 4 4 4 3 4 4 6 5 4 4 4 4 4 4 5 8 5 5 7 10 11 17 10 7 6 8 5 10 4 4 4 4 4 4 4 4 4 9 9 4 4 4 4 4 9 5 4 3 4 3 3 4 4 4 4 9 5 4 4 4 4 4 5 8 6 5 4 4 4 4 5 4 4 10 9 5 4 4 5 4 6 6 9 4 5 6 8 7 5 7 5 4 4 9 5 4 4 4 5 4 3 3 3 3 3 4 3 3 3 3 3 3 3 4 4 4 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 4 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 4 3 4 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 4 3 3 4 4 3 3 4 4 3 3 5 4 4 6 14 10 35 9 6 4 3 5 5 4 0 100 32 8 6 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 3 3 3 3 3 3 3 3; 1HNMR: 97 97 s 1H \| 76 75 q 1H J 14 \| 75 75 m 2H \| 74 74 m 2H \| 22 22 d 3H J 15	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](O)C(=O)N1CCOCC1	ir: 2 3 6 2 2 2 1 2 1 4 1 1 3 4 6 2 2 2 2 3 5 3 4 9 3 2 3 2 1 3 2 14 21 3 8 8 13 13 7 6 2 2 2 1 3 5 3 1 1 1 1 1 4 5 1 2 2 2 1 2 2 2 1 1 3 2 1 6 8 2 2 2 14 36 4 1 5 8 1 2 1 1 2 3 2 2 3 5 2 7 75 57 11 6 3 2 4 3 1 2 1 2 1 2 7 6 6 5 3 2 3 3 5 6 2 2 2 3 3 3 6 4 11 14 7 3 2 3 6 7 1 2 2 2 2 2 3 3 1 2 2 1 1 1 2 1 3 11 38 6 1 2 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 2 2 1 2 2 2 3 3 4 2 2 3 3 4 6 10 8 3 3 1 1 1 2 2 2 9 100 9 3 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 42 42 m 2H \| 37 36 m 4H \| 36 36 s 1H \| 36 36 m 3H \| 14 13 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cccc(/C=N/Nc2ncnc3c2cnn3-c2ccccc2)c1	ir: 1 1 2 3 3 6 1 4 3 2 4 15 3 7 2 9 10 12 13 7 24 62 50 20 20 23 5 8 10 10 8 8 20 13 32 25 6 3 8 2 14 51 26 14 8 4 15 14 2 2 6 10 3 1 1 0 2 2 1 0 1 1 1 1 1 2 2 6 9 14 13 9 2 1 2 5 4 18 28 5 4 4 4 5 3 3 5 8 8 3 1 1 4 2 7 8 3 3 4 13 16 6 11 3 4 4 10 6 2 1 0 0 1 1 4 16 17 13 5 3 4 2 3 4 4 2 2 3 20 7 1 1 0 3 4 19 6 5 30 6 14 7 5 1 18 79 21 8 9 4 5 10 12 25 9 33 47 3 5 64 24 37 3 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 6 7 4 23 100 27 11 5 2 2 4 1 0 5 9 1 1 1 1 1 0 1 1 0 1 3 9 12 24 21 30 47 4 5 3 2 3 2 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; 1HNMR: 85 85 m 3H \| 84 84 s 1H \| 82 82 s 1H \| 81 81 t 1H J 21 \| 80 80 ddd 1H J 11 22 77 \| 78 78 m 2H \| 78 77 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.
Cc1cc(C(C)NS(=O)(=O)c2ccc(Cl)cc2)ns1	ir: 1 2 0 2 8 3 1 1 1 1 2 4 5 1 1 0 1 5 1 1 1 2 3 1 2 3 1 1 0 0 1 4 4 1 1 0 1 0 1 1 1 2 1 2 7 4 3 2 1 1 1 5 14 12 10 5 4 6 5 1 1 1 1 2 14 13 6 3 2 4 1 1 3 10 18 10 4 1 2 9 2 2 2 5 2 1 2 39 14 2 2 7 20 1 1 1 1 3 4 2 6 7 9 29 32 8 6 4 8 4 4 1 1 5 1 3 2 2 1 1 3 3 8 4 1 3 2 5 5 2 3 3 1 1 1 1 1 2 0 1 1 1 1 1 3 17 17 2 2 1 1 1 2 1 5 4 1 1 1 4 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 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 1 1 1 0 0 0 1 1 1 1 1 1 1 2 2 4 3 33 7 8 4 5 7 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 14 100 3 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 m 4H \| 69 69 m 1H \| 66 66 d 1H J 92 \| 49 49 m 1H \| 24 24 s 3H \| 17 17 d 3H J 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N=C(N)C1CCCC1	ir: 3 3 3 3 3 3 3 4 1 6 8 7 13 4 7 2 3 3 6 3 5 2 7 7 3 3 1 4 4 4 6 8 48 100 54 28 17 18 11 1 4 6 3 4 4 6 6 6 3 5 2 0 6 6 3 1 3 6 3 14 3 5 3 5 3 2 2 3 9 2 5 4 3 0 11 5 3 3 3 2 4 8 22 4 2 1 1 1 1 1 1 0 2 2 1 1 1 1 1 1 1 3 6 3 4 2 2 2 8 8 6 9 4 2 2 2 2 2 1 2 3 1 2 3 3 1 4 2 1 1 3 3 1 2 3 3 2 2 3 6 8 14 84 27 9 20 36 25 21 13 4 7 3 2 2 2 1 2 1 1 0 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1 1 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 0 0 1 1 2 2 1 2 2 1 1 2 2 2 3 2 1 1 1 1 1 1 1 3 1 0 2 2 2 1 3 6 5 10 39 14 30 16 2 2 2 2 1 2 2 2 8 61 21 4 4 2 2 1 1 1 1 1 1 1 1 1 0 1 0 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 61 60 s 1H \| 54 53 s 2H \| 25 24 p 1H J 32 \| 19 18 m 2H \| 18 15 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@H](CO)NCC(=O)Nc1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1	ir: 2 12 12 17 11 8 11 7 4 7 17 9 5 4 5 4 4 4 14 4 2 3 3 2 2 3 4 3 2 6 19 32 6 5 9 6 45 4 9 18 25 13 9 8 15 31 39 12 10 9 14 8 4 3 4 8 8 9 8 5 8 18 7 5 4 7 69 21 14 7 8 12 8 7 4 3 7 8 7 5 3 4 4 8 10 67 21 9 8 9 2 3 7 10 19 6 7 6 4 4 5 3 5 4 8 23 12 11 18 25 0 4 6 5 2 6 9 10 6 7 18 4 3 7 15 40 4 26 28 10 18 18 9 4 4 6 12 4 3 4 4 2 2 5 10 42 16 4 11 7 3 3 3 4 3 3 3 4 62 4 3 5 4 7 6 2 3 4 2 2 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 3 2 3 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 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 4 2 3 4 3 2 3 4 3 2 3 6 5 11 20 6 19 23 12 9 6 3 4 7 7 100 8 4 5 3 3 3 3 3 6 6 26 87 21 16 11 30 26 10 5 3 3 3 2 2 3 3 2 2 3 3 2 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 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 3 2 2 2 3 2 2 2 3 2 1 2 3; 1HNMR: 86 86 t 1H J 22 \| 83 83 t 1H J 22 \| 80 79 t 1H J 21 \| 40 40 dt 1H J 50 84 \| 37 36 dt 1H J 48 117 \| 36 35 dd 1H J 51 169 \| 34 34 m 2H \| 33 33 t 1H J 51 \| 32 32 s 3H \| 29 28 dddd 1H J 30 55 96 111 \| 16 15 dqd 1H J 50 68 136 \| 14 13 dqd 1H J 51 67 133 \| 9 9 td 3H J 15 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)CN1CCC2(CC1)CNc1ccccc12	ir: 22 20 15 7 6 9 6 7 15 9 12 20 21 18 9 10 10 16 7 8 17 6 6 5 6 6 6 6 7 4 6 6 6 7 5 16 34 34 10 9 11 6 41 35 9 9 6 4 6 5 4 5 5 5 8 4 6 6 8 7 14 13 16 9 5 7 11 9 9 5 11 77 20 9 7 7 8 11 5 8 30 100 68 16 12 56 53 47 18 17 56 12 18 7 15 10 13 22 21 36 5 41 33 42 40 22 11 44 17 6 10 10 13 28 10 7 6 6 26 18 9 6 8 5 5 14 19 11 9 14 26 47 35 31 36 15 8 10 15 88 58 19 12 8 5 3 4 6 7 6 77 14 6 5 7 4 5 5 6 9 41 0 5 6 5 3 4 4 4 2 4 5 4 3 3 4 3 3 4 4 3 3 4 4 4 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 3 3 3 4 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 4 3 3 3 4 3 3 4 3 3 3 4 4 3 4 4 3 4 3 3 4 3 4 4 4 4 4 4 4 4 4 4 5 4 5 6 6 12 9 11 7 5 10 7 7 12 23 12 21 95 63 24 9 7 5 5 5 5 6 5 5 5 5 5 5 4 6 5 7 7 15 15 49 54 53 36 21 13 6 8 10 6 4 4 6 6 4 4 4 4 4 4 4 4 4 4 4 5 5 4 5 4 4 4 4 4 3 4 4 4 4 4 3 3 3 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 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 73 72 dd 1H J 13 77 \| 72 71 td 1H J 13 71 \| 69 69 td 1H J 14 75 \| 67 67 dd 1H J 13 71 \| 45 45 t 1H J 34 \| 37 36 d 2H J 33 \| 33 32 d 1H J 128 \| 32 32 d 1H J 130 \| 30 30 ddd 2H J 24 51 123 \| 28 28 ddd 2H J 24 51 123 \| 21 20 ddd 2H J 24 51 136 \| 19 18 ddd 2H J 24 51 135	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(N(Cc2cc(=O)[nH]c3c(F)cccc23)C(=O)c2scnc2C)cc1Cl	ir: 6 3 4 3 4 2 2 2 3 2 2 3 6 4 3 4 5 2 2 2 5 18 14 17 7 5 5 5 4 3 3 3 3 4 7 9 12 15 11 9 16 100 6 8 4 3 4 11 32 6 4 9 9 13 9 5 3 2 2 3 3 3 12 6 7 32 42 25 17 6 4 8 6 3 2 3 5 5 6 6 7 6 3 4 6 3 3 3 3 5 3 3 2 4 5 3 4 6 2 3 2 4 2 3 3 6 4 9 7 11 6 5 4 5 3 3 1 9 4 3 6 7 14 9 6 4 4 5 10 11 2 5 9 13 4 3 3 3 5 9 5 27 35 29 9 12 14 22 11 10 6 7 18 15 7 7 64 0 1 6 7 5 4 12 54 7 3 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 1 2 2 2 1 2 2 2 2 2 2 3 3 2 2 2 3 2 3 3 3 5 3 4 4 5 6 8 21 70 60 16 15 9 7 4 3 2 2 2 2 2 2 2 2 2 3 3 3 6 14 13 8 10 19 8 7 8 3 4 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1; 1HNMR: 86 86 s 1H \| 76 75 dd 1H J 17 79 \| 75 74 d 1H J 21 \| 74 72 m 2H \| 72 71 dq 1H J 10 85 \| 71 70 dd 1H J 22 84 \| 66 65 m 1H \| 55 55 d 2H J 13 \| 26 25 s 3H \| 22 22 d 3H J 11	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(NC(=O)c2cccc(C(F)(F)F)c2)sc1C(=O)NCc1ccccc1	ir: 2 4 1 1 1 1 1 0 1 1 1 3 3 1 1 1 3 5 1 3 5 4 2 3 6 7 10 3 4 6 5 8 9 23 6 2 5 5 26 18 59 22 7 5 5 4 2 1 3 12 7 1 1 2 8 2 1 2 1 1 1 1 1 1 1 2 2 5 2 5 2 3 2 2 1 1 2 2 3 1 2 3 1 1 1 1 3 2 1 6 2 0 1 1 0 2 4 7 48 13 8 1 1 1 1 1 0 1 3 1 1 3 22 2 3 6 2 4 5 1 5 4 1 3 8 4 2 10 3 1 1 1 1 1 2 2 3 0 3 5 12 22 8 12 26 5 85 16 20 13 4 0 2 2 2 0 2 1 1 0 0 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 2 3 4 5 20 40 23 8 4 1 1 1 1 1 1 1 1 0 1 1 2 1 1 2 2 3 2 4 4 31 100 8 3 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 82 m 1H \| 80 78 m 2H \| 78 77 m 2H \| 74 73 m 1H \| 73 73 m 2H \| 73 73 s 2H \| 73 72 m 1H \| 45 45 dd 2H J 8 51 \| 26 26 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1ncc2c1-c1c(Oc3ccc(N)cc3)sc(C(N)=O)c1CC2	ir: 7 6 9 6 2 10 8 7 6 3 7 12 4 2 6 2 2 3 0 6 5 5 5 2 3 2 2 3 2 2 2 2 3 3 2 3 2 3 8 4 3 5 19 4 3 3 3 2 2 1 1 2 2 2 3 10 14 3 3 1 2 2 1 2 1 1 2 2 2 3 2 2 2 1 1 4 2 2 2 6 1 2 2 2 1 1 2 2 3 5 2 2 1 1 3 2 1 1 5 3 2 1 2 3 1 3 4 2 3 2 2 2 2 5 2 1 1 1 2 2 1 2 3 1 1 1 1 1 1 2 3 3 1 1 2 1 1 1 1 1 1 1 1 1 2 2 2 19 4 2 2 6 4 4 6 22 32 15 7 5 3 2 3 14 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 2 6 3 3 8 14 5 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 18 20 13 5 1 1 1 1 1 1 2 2 5 100 39 6 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 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; 1HNMR: 74 73 s 1H \| 67 67 s 4H \| 67 67 s 2H \| 42 41 s 2H \| 39 39 s 3H \| 31 30 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1NC(=O)c2ccc(I)cc2C1=CNCc1cc(O)c(OCCN2CCCC2)cn1	ir: 2 6 5 9 4 4 3 4 3 1 2 3 2 4 4 2 2 2 2 3 2 3 9 4 3 3 2 2 2 2 2 3 2 2 2 3 4 2 2 2 2 1 1 1 1 2 1 1 2 2 2 2 7 30 8 10 2 2 2 2 1 1 2 2 5 5 4 8 5 4 2 2 1 1 1 1 2 2 7 10 3 2 2 2 3 2 1 3 1 5 2 2 2 2 1 1 1 1 2 4 3 1 2 1 2 2 2 2 5 2 1 1 2 2 1 2 2 2 2 4 7 4 4 4 8 4 2 3 10 2 2 1 2 2 1 2 2 3 3 3 2 2 2 2 1 1 1 2 2 1 4 3 2 1 1 2 1 1 1 3 7 6 2 4 7 26 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 2 2 7 10 5 5 1 0 2 5 2 100 5 1 1 2 1 1 1 1 1 1 1 2 1 2 2 4 22 7 9 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; 1HNMR: 83 83 dt 1H J 52 71 \| 80 79 d 1H J 81 \| 79 79 s 1H \| 79 78 d 1H J 21 \| 78 78 s 1H \| 78 77 dd 1H J 22 81 \| 77 77 dt 1H J 9 71 \| 71 70 d 1H J 11 \| 45 45 dt 2H J 9 51 \| 43 42 t 2H J 59 \| 32 31 m 4H \| 30 30 t 2H J 59 \| 20 19 p 4H J 20	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(Cl)cccc1CCCBr	ir: 2 1 1 1 1 1 1 3 1 3 3 2 0 2 9 9 3 1 1 2 1 1 0 2 1 0 1 2 3 0 1 1 1 1 1 2 15 4 2 10 7 8 4 6 19 20 100 94 30 33 5 9 4 2 1 1 1 1 1 3 5 3 3 2 2 1 2 2 2 3 2 1 1 1 3 3 1 1 2 1 2 19 4 1 1 0 2 6 4 20 10 81 14 7 3 3 6 4 23 22 1 1 3 3 9 37 15 10 3 2 3 2 5 4 15 21 2 30 7 6 3 3 3 2 2 2 2 1 2 2 3 3 2 2 5 7 6 8 28 37 72 17 5 2 2 2 2 2 1 1 1 2 2 2 3 19 26 8 1 1 1 0 1 1 0 0 1 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 0 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 0 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 2 2 4 4 8 15 8 9 4 4 6 7 3 14 4 41 19 29 74 54 43 20 2 4 13 3 2 2 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 m 2H \| 70 69 m 1H \| 35 35 t 2H J 48 \| 28 27 td 2H J 8 74 \| 24 23 s 2H \| 21 20 tt 2H J 47 74	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1C[C@]2(CCN1C(=O)OCc1ccccc1)C(=O)CS(=O)(=O)N2c1cccc(F)c1	ir: 4 15 3 8 3 4 5 6 15 12 3 13 3 2 7 2 4 5 5 9 8 6 1 3 0 1 6 1 4 5 6 21 2 2 2 1 2 9 16 18 70 27 9 19 4 6 7 50 6 2 3 4 5 5 4 3 2 2 1 1 1 2 3 3 2 3 2 8 13 20 33 6 5 12 13 8 14 10 11 11 6 5 5 3 3 4 4 22 72 10 4 4 9 26 2 5 3 20 9 47 13 8 2 4 3 2 1 1 4 2 1 6 20 7 6 8 20 12 3 12 8 15 3 14 10 14 13 5 5 4 2 5 4 5 3 5 7 15 5 7 9 8 19 34 6 4 2 4 4 1 6 25 3 3 6 28 1 2 2 0 2 33 1 1 1 1 1 0 0 1 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 2 2 2 3 16 7 3 3 3 2 3 4 5 5 17 11 21 100 45 11 8 4 2 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; 1HNMR: 74 72 m 7H \| 69 69 ddd 1H J 13 21 62 \| 69 68 m 2H \| 51 51 s 2H \| 44 43 d 1H J 161 \| 43 42 m 2H \| 38 38 ddd 1H J 41 68 125 \| 37 36 ddd 1H J 42 70 126 \| 25 24 dd 1H J 40 114 \| 24 23 ddd 1H J 40 68 115 \| 22 20 m 2H \| 13 12 d 2H J 80	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](NCCC(=O)c1ccccc1)c1ccc(Br)cc1	ir: 1 1 0 1 2 1 1 1 2 2 2 2 4 26 7 2 1 1 1 8 16 27 8 2 0 3 3 2 4 5 19 31 25 12 10 2 4 5 5 8 18 13 34 14 18 10 7 7 4 2 2 3 3 8 73 7 11 10 8 2 2 2 5 15 11 6 6 5 11 8 9 3 2 2 2 3 2 2 5 5 3 1 1 1 0 1 2 4 1 1 2 3 21 18 2 2 2 1 1 1 2 1 0 1 1 3 2 2 5 6 40 26 45 24 6 10 9 7 6 10 12 6 8 6 8 3 0 5 2 4 3 12 10 7 2 14 37 11 6 5 3 13 16 23 26 15 33 5 4 6 3 1 3 3 1 1 1 1 1 1 1 0 0 0 1 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 1 0 0 1 1 1 1 2 2 1 2 2 1 1 3 4 5 9 14 18 17 56 35 11 5 5 4 2 2 3 2 2 1 2 1 1 1 4 3 7 80 100 33 3 1 1 1 0 1 1 1 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1H \| 75 75 m 2H \| 75 74 m 2H \| 73 72 m 2H \| 43 42 m 1H \| 38 38 dt 1H J 52 71 \| 32 30 m 3H \| 30 29 m 1H \| 15 14 d 3H J 57	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCOCC[C@H](c1cccc(CO)c1)N(Cc1ccccc1)[C@@H](C)c1ccccc1	ir: 2 3 6 7 2 2 3 2 4 2 7 1 3 7 6 3 4 3 2 2 1 4 2 9 2 2 2 1 2 5 5 7 14 31 3 3 4 6 5 4 7 12 28 8 9 6 5 36 7 3 1 1 2 2 2 1 2 3 2 4 1 3 2 3 1 2 5 4 19 15 9 6 7 5 13 23 6 17 10 4 3 3 5 4 8 28 28 24 15 15 8 7 5 8 3 2 5 8 5 5 3 2 1 1 1 1 0 1 1 1 1 2 2 3 1 3 4 4 4 2 3 5 4 8 7 5 4 7 5 4 1 3 5 6 4 76 9 3 2 1 5 4 3 11 4 2 4 1 1 0 0 2 13 2 1 5 2 1 0 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 1 1 1 1 2 2 1 2 6 4 2 5 3 5 2 5 4 11 14 20 100 51 13 7 6 2 2 8 88 10 4 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 2 3 2 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 72 m 14H \| 72 71 tt 1H J 10 18 \| 46 46 m 2H \| 44 44 m 2H \| 39 38 dt 1H J 7 123 \| 38 37 m 3H \| 37 36 dt 1H J 7 124 \| 36 35 dt 1H J 64 114 \| 33 33 s 2H \| 24 23 t 1H J 57 \| 21 20 dq 1H J 64 137 \| 19 18 dq 1H J 63 135 \| 15 14 d 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1C(C(F)(F)F)=C2c3ccc4[nH]cnc4c3C[C@@]23CC[C@@H]1C3	ir: 2 5 21 8 4 5 7 4 22 5 6 4 3 9 8 31 13 17 10 28 7 14 9 4 10 7 9 4 13 7 7 0 3 8 7 1 3 7 6 1 7 16 6 7 5 15 11 22 6 24 14 3 7 10 7 17 31 35 5 5 20 15 5 1 6 10 3 0 5 7 4 1 5 8 4 6 6 7 3 2 17 8 2 6 21 9 2 2 6 6 2 4 14 6 1 7 8 9 13 63 45 24 8 5 8 15 24 30 10 11 2 7 13 9 7 7 9 12 46 20 13 34 0 12 10 10 3 38 16 7 7 7 11 7 44 20 8 2 2 16 31 66 9 11 100 6 5 7 7 30 7 11 5 1 2 6 61 2 4 8 5 3 26 12 5 0 3 7 4 0 4 7 3 0 4 7 3 0 4 7 3 1 4 6 3 1 5 6 2 1 5 6 2 1 5 6 2 2 5 5 2 2 5 5 2 2 6 5 1 2 6 5 1 3 6 5 1 3 6 4 1 3 6 4 0 3 7 4 0 4 7 3 0 4 7 3 0 4 6 3 1 4 6 3 1 4 6 2 2 5 6 3 3 6 6 2 2 5 6 2 2 6 5 2 2 6 5 1 3 6 5 2 3 7 5 9 15 11 5 2 7 14 7 3 24 14 27 22 11 47 12 1 13 9 5 6 5 7 3 1 5 6 3 2 5 6 2 2 9 8 4 9 33 93 22 8 9 6 5 6 6 5 2 3 6 5 4 4 7 4 2 3 6 4 1 3 6 4 1 3 6 4 1 4 6 3 1 4 6 3 1 4 6 3 1 4 5 3 2 4 6 3 2 4 5 3 2 5 5 2 2 5 5 3 3 5 5 2 2 5 4 2 3 5 4 2 3 5 4 1 3 6 4 1 3 6 4 1 3 6; 1HNMR: 88 88 d 1H J 60 \| 82 81 d 1H J 59 \| 75 75 d 1H J 70 \| 74 74 d 1H J 71 \| 30 29 d 1H J 167 \| 28 27 m 2H \| 21 20 m 1H \| 20 19 m 2H \| 19 17 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(c2cc(NS(=O)(=O)c3cccc(OC(F)F)c3)ccn2)CC1	ir: 7 11 10 4 6 8 13 9 8 9 9 6 6 9 18 14 16 5 5 7 5 5 4 7 11 5 5 5 18 10 13 25 13 42 20 7 4 2 4 3 3 5 3 2 6 6 10 51 16 7 3 5 7 5 3 6 6 9 3 4 9 14 5 9 13 28 8 32 35 17 4 11 20 23 64 35 8 9 6 10 26 10 6 9 14 44 27 50 35 3 8 7 11 9 13 16 28 23 17 15 9 20 32 25 5 4 1 4 3 2 3 2 7 4 7 5 20 18 23 9 7 5 6 19 15 7 22 12 9 8 6 3 5 2 3 5 5 11 4 43 35 4 4 3 1 3 3 4 11 22 4 3 4 19 14 3 2 2 1 1 2 15 23 58 9 2 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 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 4 7 9 10 20 51 26 4 4 4 2 3 1 0 2 1 0 1 1 1 0 1 0 1 1 0 4 3 2 4 5 26 100 29 4 3 4 2 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; 1HNMR: 86 86 s 1H \| 83 83 d 1H J 44 \| 77 77 ddd 1H J 13 22 86 \| 75 75 t 1H J 21 \| 75 74 t 1H J 84 \| 72 72 ddd 1H J 11 21 80 \| 70 70 dd 1H J 22 44 \| 66 66 s 0H \| 63 62 d 1H J 21 \| 37 36 m 4H \| 29 29 s 3H \| 25 24 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CN(c2ccc(Cc3ccccc3)cc2OC(=O)c2ccccc2)S(=O)(=O)N1	ir: 9 7 6 5 3 4 8 7 2 11 6 9 11 8 5 6 12 6 7 14 11 9 4 6 15 10 4 3 7 3 12 9 14 3 5 2 5 4 7 3 7 17 9 4 6 4 2 2 1 2 2 1 3 2 1 14 7 6 10 9 9 12 3 2 1 3 9 5 9 10 3 2 1 1 1 1 1 4 2 1 1 1 1 1 3 9 18 22 88 12 21 4 5 4 5 2 2 3 2 2 1 2 1 1 1 1 1 3 2 1 1 3 5 6 2 6 8 17 8 8 11 11 26 7 4 4 1 4 3 5 2 2 2 2 9 7 3 1 1 1 1 3 21 20 20 18 14 12 5 28 41 61 20 7 10 2 1 2 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 1 0 1 2 5 2 1 2 1 1 2 7 8 19 21 100 57 26 7 3 2 2 1 2 2 2 1 0 1 1 1 2 1 1 1 3 6 6 10 12 45 21 7 2 1 3 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; 1HNMR: 82 81 m 2H \| 76 75 m 1H \| 75 75 m 2H \| 73 72 m 5H \| 71 70 m 2H \| 69 69 dt 1H J 9 17 \| 66 65 s 1H \| 48 48 s 2H \| 39 39 p 2H J 8	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CCC2(C3CCCC3)CC(O)=CC(=O)O2)c(OC)c1	ir: 1 2 4 4 1 2 6 1 1 2 2 1 3 8 3 2 2 4 3 3 2 2 3 1 1 2 2 1 2 2 2 1 2 2 2 2 2 2 1 1 1 2 2 2 4 3 2 1 1 2 4 4 5 6 3 8 2 3 2 0 2 2 2 2 3 4 10 11 5 4 2 2 2 3 2 2 27 11 2 2 3 5 3 100 21 9 7 3 3 3 3 2 2 2 2 2 3 2 1 1 3 3 2 2 2 1 2 3 3 3 7 5 2 8 6 5 3 2 2 3 4 2 2 1 3 4 3 2 3 1 1 2 2 1 2 3 7 2 3 17 7 5 2 2 2 1 1 2 2 4 10 2 2 4 4 2 2 1 3 3 50 0 9 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 3 4 4 5 2 3 3 4 3 4 9 10 11 9 14 6 2 3 2 2 3 55 29 5 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 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; 1HNMR: 70 69 dt 1H J 8 84 \| 66 65 dd 1H J 23 83 \| 64 64 d 1H J 23 \| 53 53 d 1H J 9 \| 38 38 d 7H J 59 \| 29 28 dtd 1H J 8 81 154 \| 27 26 m 2H \| 24 23 m 2H \| 22 21 dt 1H J 81 146 \| 19 18 dt 1H J 81 146 \| 17 16 m 2H \| 17 16 m 1H \| 16 15 m 2H \| 16 15 s 0H \| 15 14 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2oc(/C(=C/C(=O)O)c3ccccc3)cc2c1	ir: 2 3 2 2 3 3 2 2 2 2 2 3 4 9 4 3 4 5 3 2 4 29 27 3 3 2 3 3 3 3 6 3 10 4 3 8 33 5 3 4 4 3 4 8 3 2 2 2 6 7 3 4 16 6 3 2 2 2 2 2 2 2 2 2 2 2 4 6 5 4 7 3 3 3 4 6 8 4 26 12 3 2 2 2 3 2 12 4 3 2 7 2 2 2 2 2 3 2 6 8 3 2 3 8 2 2 2 2 2 2 3 2 2 3 14 4 2 2 3 6 3 2 2 2 2 2 3 2 2 2 2 2 3 10 5 8 2 9 3 3 3 2 9 4 5 4 4 3 3 6 22 7 2 4 3 2 2 2 2 5 2 2 5 2 5 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 3 2 4 4 5 3 13 57 12 15 7 5 3 0 3 8 100 35 2 0 3 3 2 1 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 76 75 t 1H J 22 \| 75 74 m 7H \| 74 73 d 1H J 82 \| 72 72 m 1H \| 65 65 s 1H \| 24 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1cc(S(=O)(=O)Cc2ccc(C=Cc3ccccc3)cc2)cc(C(C)(C)C)c1O	ir: 10 24 11 12 19 14 11 22 49 39 8 17 21 11 11 10 11 9 9 11 31 14 12 15 11 9 8 12 13 16 11 18 19 9 16 12 11 12 17 14 27 31 39 27 22 10 11 13 12 8 10 10 12 9 22 18 13 0 40 30 11 13 15 13 17 100 30 20 15 42 10 10 8 14 10 13 13 15 15 18 30 21 17 36 50 23 56 42 77 37 15 15 9 16 50 14 11 18 20 13 34 39 8 11 7 15 9 12 9 20 14 8 7 8 9 8 8 9 9 13 13 11 15 15 9 18 15 14 13 12 15 10 13 26 25 28 12 10 10 8 13 29 65 17 15 19 10 36 24 99 15 40 13 13 13 11 8 9 8 7 9 10 8 8 10 9 10 7 7 9 7 7 8 9 8 7 8 9 7 6 7 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 6 7 8 8 7 7 8 8 7 7 8 8 6 7 8 8 6 7 8 7 6 7 8 7 6 7 8 7 6 8 8 7 6 7 8 7 7 8 8 7 6 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 9 8 7 7 8 8 7 9 13 8 8 8 13 18 8 9 10 10 8 17 17 37 27 52 100 57 35 20 11 11 10 17 41 44 16 9 8 8 8 7 7 7 8 7 7 7 7 8 8 7 7 8 7 7 7 8 8 7 7 8 7 7 7 8 7 8 7 8 8 7 7 8 8 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 8 8 7 7 7 8 7 7 8 7 7 7 8 8 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7; 1HNMR: 77 76 s 2H \| 75 75 m 2H \| 74 74 dt 2H J 8 81 \| 74 73 m 5H \| 73 72 m 1H \| 68 67 m 2H \| 66 66 s 1H \| 48 47 t 2H J 9 \| 15 14 s 16H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc(C(=O)O)cc(CC)n1	ir: 1 2 2 1 1 1 1 1 1 2 3 1 2 2 3 4 2 4 3 3 3 63 40 9 5 1 1 2 3 1 1 2 2 1 2 3 2 1 1 2 1 1 2 2 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 3 2 3 4 5 1 1 6 3 2 1 1 3 9 28 7 0 0 2 2 1 3 3 4 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 4 4 3 5 2 1 1 1 2 2 1 4 3 2 2 2 3 1 1 2 2 1 1 2 2 1 1 2 5 27 3 11 3 2 2 1 1 1 2 1 1 2 2 1 1 1 1 2 3 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 2 1 1 1 2 2 2 2 3 15 4 2 2 1 1 2 1 0 27 100 6 3 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 75 s 2H \| 29 28 qd 4H J 9 72 \| 13 13 t 6H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cc2c(cc1Cl)[nH]c(=O)c(=O)n2C1CCCCC1	ir: 3 3 5 6 7 9 4 2 1 2 2 2 2 3 3 2 2 2 1 2 3 2 3 19 3 5 4 1 1 2 4 2 1 2 1 2 1 1 3 2 1 1 1 1 2 3 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 1 4 3 3 3 2 1 2 3 4 13 11 2 1 0 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 5 1 1 1 1 2 1 0 7 3 3 6 3 2 2 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 7 1 1 2 2 2 1 1 6 27 8 3 8 28 48 12 2 1 0 1 2 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1 0 0 1 1 1 0 1 0 1 1 0 0 0 0 1 1 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 0 1 0 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 2 1 2 2 1 1 1 2 2 2 4 2 6 2 1 3 3 2 2 2 3 10 30 13 8 3 1 1 1 1 2 25 1 1 1 0 0 1 1 0 2 5 23 100 15 1 0 2 1 0 0 1 1 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 1 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 78 78 s 1H \| 68 67 s 1H \| 44 43 m 3H \| 21 20 m 2H \| 18 16 m 4H \| 16 14 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)OC(=O)c2ccc(NC(=O)OCc3ccccc3)cc2O1	ir: 5 8 6 5 9 3 5 3 12 7 2 1 2 1 2 1 1 2 2 10 6 7 15 3 1 3 4 3 6 11 13 19 17 14 7 5 10 6 2 4 5 9 2 2 4 6 4 1 1 1 1 1 1 3 3 12 3 2 1 3 1 2 1 2 2 4 6 24 15 6 1 1 1 1 1 1 4 2 3 1 1 1 1 1 1 1 1 1 4 5 1 1 3 3 2 1 2 7 5 8 2 2 4 8 3 8 19 2 1 1 1 2 4 5 2 1 1 2 2 3 3 6 17 5 4 3 6 4 6 18 1 1 2 1 0 10 16 1 1 2 2 7 56 14 8 8 2 0 4 100 8 4 9 10 27 44 7 2 1 2 1 1 4 30 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 2 10 8 14 20 24 6 2 3 2 1 1 1 1 1 1 1 1 3 2 1 1 2 1 1 1 1 1 22 21 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1; 1HNMR: 79 78 d 1H J 87 \| 78 77 s 1H \| 74 73 d 1H J 21 \| 74 73 m 6H \| 73 72 dd 1H J 21 87 \| 52 51 s 2H \| 16 16 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

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