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Output stringlengths 5 127	Input stringlengths 850 1.64k	Instruction stringclasses 1 value
CC(C)(C)OC(=O)N1CCO[C@@H]([C@H](O)CO)[C@H](c2ccc(Cl)c(Cl)c2)C1	ir: 3 4 0 8 5 18 12 9 12 5 4 11 5 9 4 3 2 5 2 3 1 1 1 1 1 0 0 1 1 0 0 0 1 2 1 2 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 2 5 3 1 0 0 1 0 1 2 3 1 1 3 2 1 1 1 1 3 2 2 2 1 3 1 1 1 1 2 3 1 2 3 21 6 6 12 23 5 3 1 2 1 1 1 2 0 1 1 1 1 1 1 1 1 1 3 2 2 2 1 1 2 2 4 6 1 2 2 3 4 1 1 2 3 2 1 2 1 1 2 2 1 5 1 2 1 0 0 1 1 0 0 1 3 2 1 45 0 2 1 0 0 1 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 1 1 1 0 0 1 1 1 1 1 1 2 0 1 2 6 4 5 4 3 3 2 3 3 5 32 100 45 9 2 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 m 2H \| 72 72 m 1H \| 41 41 m 2H \| 39 39 m 1H \| 39 38 m 2H \| 38 37 m 4H \| 37 35 m 4H \| 34 33 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.
COC(=O)CCC/C=C\CC1=CCCC1=O	ir: 5 9 12 7 8 5 3 3 2 1 4 4 2 4 4 4 3 2 3 2 5 6 7 6 19 11 10 5 4 9 5 2 4 4 10 6 17 8 8 5 7 13 5 5 6 5 19 14 37 7 12 8 6 1 2 3 2 2 6 2 3 8 3 7 6 10 4 6 7 4 4 2 2 1 3 3 2 2 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 2 3 5 2 5 3 9 8 7 12 6 4 4 7 16 46 29 21 16 1 14 6 8 10 11 14 17 18 19 20 8 11 7 7 9 4 4 6 3 7 10 3 11 2 5 9 12 6 6 11 28 30 100 30 16 13 7 3 2 2 4 4 6 4 5 2 0 1 2 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 2 2 1 3 3 4 7 5 6 8 6 3 3 5 13 7 57 87 55 21 23 11 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 70 69 tdd 1H J 9 18 33 \| 56 55 dtt 1H J 15 58 101 \| 55 54 m 1H \| 37 36 s 2H \| 31 30 dp 2H J 11 59 \| 26 26 ddd 2H J 9 57 64 \| 24 23 m 4H \| 22 21 tdq 2H J 12 55 81 \| 18 16 pd 2H J 10 86	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCn1nccc1C(=O)O	ir: 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 2 5 10 3 5 29 18 18 6 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 2 2 2 2 2 2 1 1 1 1 1 1 1 1 17 7 1 1 1 3 2 2 2 3 1 1 1 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 14 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 4 2 1 1 1 1 8 4 2 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4 9 1 1 2 1 0 100 73 10 3 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; 1HNMR: 73 73 d 1H J 37 \| 72 71 d 1H J 37 \| 45 44 t 2H J 40 \| 38 37 t 2H J 39 \| 33 33 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)N(Cc1nc2ccccc2n1CCCN)C1CCCc2cccnc21	ir: 1 2 2 5 3 2 3 15 2 2 3 1 1 1 3 1 11 1 2 3 1 1 3 2 1 2 2 2 2 7 2 1 3 11 29 3 2 3 4 18 10 32 100 5 4 3 2 1 2 4 5 4 15 5 8 46 43 8 30 4 2 5 11 2 3 3 5 15 68 25 10 5 2 7 8 2 3 5 5 5 6 13 19 14 3 8 1 1 3 5 1 2 3 3 8 2 4 2 1 1 2 4 1 5 3 2 1 4 6 3 2 4 2 3 4 2 4 4 5 5 4 8 12 6 18 11 5 3 8 6 23 14 11 7 24 37 17 13 24 13 4 3 1 3 3 5 9 31 2 2 6 3 2 1 8 12 4 0 1 2 1 3 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 3 4 2 3 3 3 2 1 2 3 3 10 6 9 8 50 11 3 1 1 1 1 1 2 2 1 1 5 6 15 12 11 3 3 1 6 19 18 3 1 2 1 2 2 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 85 84 dd 1H J 20 48 \| 76 75 m 1H \| 75 74 m 2H \| 73 72 m 3H \| 67 67 t 2H J 59 \| 43 43 t 1H J 51 \| 41 41 t 2H J 63 \| 40 40 d 1H J 137 \| 39 39 d 1H J 137 \| 32 31 hept 1H J 66 \| 29 27 m 4H \| 21 18 m 6H \| 12 12 d 3H J 64 \| 11 11 d 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1CCCN1c1nc2c(c(Nc3cc(C4CC4)n[nH]3)n1)CCC2	ir: 3 1 2 2 4 6 2 3 3 2 4 4 1 1 2 3 2 1 2 3 1 1 1 1 1 2 4 5 13 3 2 1 1 0 0 1 1 1 0 1 1 0 1 1 1 2 3 6 6 8 3 10 21 4 2 1 3 12 11 2 2 1 2 1 1 0 0 1 1 1 1 1 1 2 4 3 3 1 0 1 0 0 1 1 1 1 1 1 3 2 2 1 1 1 1 1 2 6 2 5 5 1 1 3 100 5 2 2 2 2 2 3 5 9 2 2 3 1 0 1 1 2 2 2 2 2 2 4 2 0 1 1 2 2 2 7 0 0 0 1 1 1 2 6 2 1 20 2 1 1 11 31 7 0 37 7 0 2 1 0 4 6 2 18 8 3 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 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 2 0 1 1 1 1 1 2 2 2 4 2 1 2 3 2 1 1 1 0 0 0 0 1 0 0 1 2 1 1 2 1 2 4 6 46 8 5 19 10 4 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 96 95 s 1H \| 91 91 s 1H \| 64 63 d 1H J 7 \| 46 45 t 1H J 58 \| 39 38 m 1H \| 37 36 m 4H \| 30 29 dd 2H J 56 65 \| 28 27 m 2H \| 24 23 m 3H \| 22 20 m 3H \| 19 18 m 1H \| 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.
CC(C)(S)CNC(=O)CCC(=O)O	ir: 1 2 3 2 3 2 2 3 3 2 4 3 2 3 2 3 2 4 4 3 13 13 10 5 4 2 2 4 3 2 2 2 2 2 2 2 3 4 9 12 8 3 3 4 3 3 4 4 3 3 2 2 2 2 2 2 2 2 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 11 10 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 3 3 5 2 4 7 6 3 4 2 2 2 3 4 4 3 5 5 2 3 2 2 2 2 2 2 2 5 10 4 6 18 14 7 3 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 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 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 2 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 3 6 8 2 2 2 2 1 2 3 2 1 3 6 80 100 2 0 2 3 2 1 2 2 2 1 3 6 6 6 5 7 2 2 2 2 1 2 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 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2; 1HNMR: 65 64 t 1H J 41 \| 35 34 d 2H J 40 \| 27 26 td 2H J 13 87 \| 26 25 m 2H \| 17 17 s 1H \| 13 13 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C)c1ccc(I)c(C)c1	ir: 3 8 1 4 3 4 4 7 1 6 1 2 2 1 1 1 0 1 2 1 1 1 1 0 0 1 1 0 3 2 3 2 1 3 3 1 1 1 1 1 0 1 1 0 0 1 0 0 1 1 1 4 5 6 38 1 3 1 1 0 1 1 1 0 3 3 1 1 1 1 3 4 2 6 4 3 5 1 1 5 2 1 1 1 1 1 1 6 2 2 7 27 2 3 3 6 6 3 3 2 2 1 1 1 1 1 0 1 3 2 7 6 10 10 6 5 12 4 9 4 6 3 7 3 2 3 1 2 5 3 11 7 3 2 1 1 2 1 1 5 5 2 8 8 100 5 8 2 56 4 1 2 2 7 5 2 1 0 1 1 1 7 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 5 3 1 1 1 1 2 2 1 3 8 10 3 16 10 13 26 31 14 10 1 1 2 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 77 76 d 1H J 76 \| 72 71 m 2H \| 42 41 qd 2H J 34 62 \| 38 37 m 1H \| 24 23 s 2H \| 15 14 d 3H J 75 \| 12 12 t 3H J 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(-c2cc[nH]c2-c2ccc(F)cc2)cc1	ir: 4 2 3 3 3 2 1 1 3 1 2 1 2 2 2 1 3 3 6 2 1 1 1 4 2 1 3 2 10 2 2 2 1 3 2 1 1 2 2 1 7 2 1 4 5 3 3 2 2 3 8 6 24 6 13 9 48 11 6 4 2 0 1 1 1 0 1 2 2 11 1 1 1 4 24 2 2 2 2 3 2 5 3 2 1 2 5 3 1 1 1 1 1 3 1 3 1 1 3 4 5 6 2 1 1 1 1 1 1 10 9 2 1 2 5 2 1 1 3 2 2 6 11 8 8 5 7 2 2 2 1 1 1 5 5 1 1 1 1 1 2 2 4 22 22 5 5 6 15 10 3 4 7 4 1 2 1 1 1 1 1 0 1 1 1 1 1 0 1 0 1 0 1 0 0 1 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 0 0 0 1 0 0 1 1 1 0 0 0 0 0 0 1 1 0 1 1 1 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 3 2 3 10 16 13 100 19 7 5 3 3 2 5 10 9 3 2 1 1 1 1 1 1 0 3 46 83 14 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 88 d 1H J 68 \| 75 75 m 2H \| 75 74 m 2H \| 73 72 m 2H \| 72 71 dd 1H J 37 66 \| 71 71 m 2H \| 64 64 d 1H J 37	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(CN2CC[C@@H](Nc3ncc(/C=C/C(=O)O)cc3Cl)C2)c1	ir: 0 9 3 5 6 6 10 17 6 9 5 6 11 7 4 3 4 4 14 6 14 27 91 19 1 23 7 3 2 6 11 4 2 4 7 6 11 100 32 11 11 2 3 5 6 8 4 8 6 2 2 3 2 2 2 3 1 1 1 2 1 3 2 4 4 9 4 3 3 5 2 4 4 11 6 5 5 6 59 11 17 20 8 7 7 4 2 14 11 4 1 1 2 2 1 2 2 4 12 27 6 3 2 2 6 3 4 9 4 6 5 5 4 4 6 3 2 3 3 8 16 10 14 15 9 7 9 3 4 5 2 6 9 7 3 7 3 4 27 96 42 9 10 4 2 63 7 7 10 17 33 20 7 12 22 7 10 24 2 1 1 0 1 1 1 0 3 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 2 1 2 2 3 6 8 11 9 13 23 75 8 10 3 2 2 1 1 1 5 24 3 1 1 1 2 2 2 2 7 4 7 3 16 66 89 33 11 9 7 5 2 7 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 99 99 s 1H \| 85 84 d 1H J 17 \| 79 79 d 1H J 16 \| 77 77 d 1H J 170 \| 72 71 m 2H \| 71 70 m 2H \| 65 65 d 1H J 170 \| 53 52 d 1H J 79 \| 43 42 m 1H \| 36 35 m 2H \| 31 30 dd 1H J 16 117 \| 29 28 m 2H \| 26 26 m 1H \| 23 23 s 3H \| 22 21 dddd 1H J 27 48 69 118 \| 19 18 ddt 1H J 48 66 123	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cn1ccc2c(COc3ccc(-c4cc(F)c(F)cc4OC)cc3)cccc21	ir: 3 2 4 3 2 4 3 2 3 7 3 3 3 3 3 5 5 6 7 2 4 1 3 4 2 4 6 14 10 18 12 4 4 2 3 6 4 5 18 9 8 3 2 1 3 3 22 28 8 2 5 1 3 8 25 51 27 8 9 9 9 8 9 8 12 13 29 22 40 53 4 4 4 5 7 10 4 3 4 3 3 3 2 1 2 2 5 4 3 3 3 5 13 5 2 4 2 11 10 19 5 6 6 14 18 15 8 11 3 2 1 2 3 4 2 4 1 5 13 14 6 6 7 4 5 4 7 3 10 6 8 8 5 14 4 5 5 2 17 8 20 26 5 20 51 50 18 26 45 35 17 7 25 9 7 4 3 8 5 0 16 2 2 2 1 0 1 1 1 0 1 2 1 0 1 2 1 1 1 2 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 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 1 2 3 2 3 3 2 3 3 3 3 5 6 15 9 53 100 100 37 17 11 14 9 3 0 2 3 2 0 2 2 1 0 1 2 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 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; 1HNMR: 75 75 m 1H \| 74 73 m 2H \| 73 72 m 2H \| 72 71 m 2H \| 70 69 m 2H \| 68 68 dd 1H J 43 121 \| 68 67 d 1H J 56 \| 52 52 d 2H J 7 \| 49 48 d 2H J 9 \| 43 42 q 2H J 65 \| 39 38 s 2H \| 13 12 t 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C(=O)Nc1ccc(Br)cc1	ir: 2 4 2 2 1 1 3 3 2 37 5 22 3 2 2 1 1 2 2 1 1 2 3 2 5 7 9 4 3 5 5 2 6 6 13 23 16 23 25 32 7 9 3 1 1 6 2 13 5 12 5 2 7 17 46 36 61 17 3 4 3 3 2 1 2 2 2 1 5 11 2 1 2 4 6 9 5 8 1 1 2 5 2 1 2 3 8 5 2 2 1 2 3 14 2 3 4 3 2 2 4 2 3 5 47 9 10 7 5 4 1 2 2 1 0 2 4 3 2 5 4 2 1 3 9 8 2 3 4 1 1 2 3 1 0 2 2 1 1 2 3 4 31 19 5 15 38 17 87 71 29 13 26 22 10 5 2 2 3 2 2 15 24 6 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 2 2 2 2 2 1 1 4 5 6 7 6 5 9 7 7 52 27 27 7 5 5 4 4 2 1 2 2 1 2 2 2 2 2 3 5 2 8 9 55 85 100 38 10 5 6 3 2 1 1 2 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 90 90 s 1H \| 75 75 m 2H \| 75 74 m 2H \| 27 26 p 1H J 65 \| 12 11 d 6H J 65	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)/C=C/c1ccc(OCc2sc(-c3ccc(C)cc3)nc2C)cc1O	ir: 3 3 4 2 1 3 3 2 1 5 7 4 2 6 6 3 3 5 8 8 4 3 3 3 6 4 4 6 6 12 6 2 4 4 4 2 4 4 2 1 2 2 4 1 2 4 2 3 4 2 3 4 12 11 6 31 5 7 9 4 4 3 2 8 4 7 19 44 17 24 12 17 16 9 3 4 4 4 4 9 2 10 100 54 15 7 0 4 22 15 9 7 3 3 2 2 3 2 11 4 5 3 4 2 15 54 16 6 2 3 2 4 5 5 4 3 3 5 14 4 7 5 11 5 6 5 42 8 15 7 3 3 11 3 2 5 15 3 4 9 7 2 2 2 3 1 1 4 3 5 46 24 15 20 13 15 3 2 2 2 2 1 2 9 3 1 2 2 2 1 2 2 2 1 2 2 2 3 3 7 9 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 2 2 3 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 2 3 3 1 1 2 2 2 2 2 2 2 2 2 2 2 3 7 7 3 2 3 5 5 3 4 4 3 4 9 13 15 37 37 25 81 47 28 6 6 3 4 3 1 9 4 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 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 81 81 s 1H \| 78 78 m 3H \| 75 75 d 1H J 83 \| 73 72 dq 2H J 8 81 \| 67 67 dd 1H J 24 82 \| 65 64 d 1H J 22 \| 64 63 d 1H J 163 \| 53 53 s 2H \| 38 37 s 3H \| 24 24 s 3H \| 24 23 d 3H J 8	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1ccc(NC(=O)C(O)C2(NC(=O)OC(C)(C)C)CC(F)(F)C2)n1	ir: 4 4 5 4 4 5 2 2 3 2 2 3 3 4 3 1 1 2 1 2 2 1 2 1 6 2 0 1 1 3 9 6 22 21 10 7 2 5 2 1 1 2 4 1 2 1 1 3 2 2 3 5 5 22 45 30 7 4 2 2 2 2 4 4 2 0 1 0 1 1 2 1 3 1 1 1 1 1 0 1 2 1 1 2 1 2 1 6 14 24 17 5 2 1 1 2 6 3 5 2 1 1 1 1 0 6 1 1 4 2 5 6 1 2 3 1 0 2 3 4 3 2 1 1 2 2 2 2 1 4 4 2 3 3 2 2 2 1 0 0 0 0 1 1 6 20 5 17 42 21 36 24 5 1 1 1 2 19 23 3 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 2 1 0 0 1 0 1 6 4 1 1 1 5 5 8 7 8 5 5 7 5 8 3 3 16 18 5 1 1 0 1 1 1 1 1 2 1 1 4 12 18 100 25 7 3 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: 85 85 s 1H \| 73 73 dd 1H J 9 31 \| 62 61 m 2H \| 47 47 d 1H J 38 \| 46 46 d 1H J 38 \| 39 38 d 3H J 7 \| 27 26 dt 2H J 119 161 \| 25 24 dt 2H J 119 163 \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(=O)C1=Cc2c(cc(OC)c3c(=O)c4cc5ccccc5nc4n(C)c23)OC1(C)C	ir: 29 27 28 25 27 27 25 25 25 25 25 26 25 26 26 26 25 25 27 33 31 25 26 26 29 27 28 25 30 28 26 31 30 30 48 27 28 30 29 28 30 31 100 66 33 53 40 40 47 37 35 32 30 31 26 26 28 30 29 17 67 28 27 27 37 30 47 69 47 28 33 31 26 35 30 32 25 25 24 24 24 26 27 23 30 49 26 27 26 25 25 26 26 28 83 26 25 28 26 25 25 26 25 28 27 30 48 41 34 28 26 26 25 30 46 27 30 28 33 30 31 28 27 29 28 37 36 30 30 29 30 32 30 27 33 39 42 46 41 28 30 36 30 45 35 0 77 53 25 36 28 24 43 27 33 34 72 31 32 63 71 34 31 27 28 31 38 38 25 25 25 24 25 25 24 24 24 24 24 24 24 25 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 25 27 27 27 25 27 28 25 25 26 26 26 27 30 29 41 53 34 68 71 87 48 31 29 25 26 25 25 25 24 24 25 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24; 1HNMR: 87 87 d 1H J 20 \| 81 80 m 1H \| 80 79 m 1H \| 79 78 s 1H \| 77 76 m 2H \| 65 65 s 1H \| 39 39 s 3H \| 39 38 s 3H \| 26 25 t 2H J 62 \| 17 16 qt 2H J 62 71 \| 15 15 s 5H \| 10 9 t 3H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOC(=O)NCc1ccc(-c2nc3ccccc3s2)cn1	ir: 2 9 8 7 6 2 1 2 1 1 2 1 1 1 2 2 2 3 1 3 2 1 1 1 1 5 4 4 6 13 4 6 6 6 2 5 10 5 3 2 3 1 28 12 2 1 1 1 2 1 1 1 3 9 11 2 2 2 2 3 1 1 1 1 1 1 2 1 5 6 3 18 1 1 2 2 1 1 0 1 3 1 0 1 3 3 1 0 1 1 6 2 1 1 1 1 1 1 1 0 1 1 0 2 1 2 2 1 1 1 1 3 4 2 1 2 4 2 3 3 3 3 0 5 5 9 22 4 1 2 1 2 2 2 4 9 29 8 5 3 7 11 14 14 16 7 8 3 5 100 12 9 1 2 3 1 1 0 1 1 1 0 25 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 6 4 2 14 60 18 6 5 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 4 34 11 13 10 5 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 89 d 1H J 20 \| 82 82 dd 1H J 19 80 \| 80 79 dd 1H J 14 71 \| 79 79 dd 1H J 15 74 \| 76 75 dt 1H J 10 80 \| 75 74 td 1H J 15 73 \| 74 73 td 1H J 14 75 \| 63 63 m 1H \| 45 45 dd 2H J 8 60 \| 41 40 t 2H J 68 \| 16 15 p 2H J 68 \| 14 13 h 2H J 70 \| 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.
O=C(O)/C=C/c1ccc(NC(=O)CN2CCOCC2)nc1	ir: 4 7 5 4 5 5 5 4 4 4 4 9 9 5 5 5 3 9 0 7 8 7 32 25 7 7 7 7 13 11 7 10 7 7 8 11 11 14 16 15 11 9 7 6 7 9 7 8 20 11 5 7 8 9 19 17 7 7 6 5 4 4 4 5 5 6 7 5 5 4 6 5 5 9 4 4 4 5 14 14 7 10 14 6 6 5 4 4 5 5 3 10 4 4 5 6 4 5 7 13 16 8 6 4 4 4 6 8 4 4 4 5 6 22 7 6 5 5 5 7 7 7 9 7 5 5 4 6 8 7 4 5 5 4 4 4 4 4 4 5 8 5 10 16 9 5 8 23 70 100 23 17 6 6 5 3 4 6 6 16 18 4 4 4 4 4 5 7 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 4 4 4 4 4 4 4 7 7 10 11 9 10 6 4 5 4 4 4 4 6 5 4 4 4 4 4 4 5 5 5 6 6 4 8 13 24 22 7 5 5 4 3 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 99 99 s 1H \| 97 96 s 1H \| 86 86 d 1H J 21 \| 80 80 m 1H \| 77 76 d 1H J 169 \| 74 74 d 1H J 80 \| 66 65 d 1H J 170 \| 37 36 m 4H \| 34 33 s 2H \| 26 26 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1cccc(C#CCCO)c1	ir: 3 3 2 3 2 2 4 1 1 3 2 3 1 2 3 2 1 2 2 1 1 2 2 1 1 1 2 1 3 6 8 2 5 2 5 1 1 3 2 2 3 3 2 2 5 7 6 18 8 23 4 1 1 3 2 3 2 4 10 22 7 4 1 1 1 3 3 5 3 2 2 0 1 2 1 1 2 2 2 2 2 3 6 6 100 38 7 6 56 56 3 7 7 4 2 4 4 2 0 1 17 2 0 4 6 6 1 1 2 1 0 1 3 1 1 2 3 1 1 2 6 4 0 7 3 3 16 2 3 2 1 2 2 1 0 1 2 1 1 4 10 2 1 3 1 1 1 6 19 1 2 2 2 1 1 3 1 0 1 2 1 1 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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 2 1 0 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 3 2 1 2 2 1 2 2 1 0 1 7 4 1 2 4 7 38 8 5 2 2 3 4 4 48 8 3 3 1 2 2 1 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 99 99 s 1H \| 80 80 m 1H \| 79 78 t 1H J 21 \| 76 76 ddd 1H J 11 22 64 \| 75 75 t 1H J 66 \| 38 37 m 2H \| 27 26 m 2H \| 26 25 t 1H J 56	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)Oc1ccccc1C1NN=C(c2ccc(Cl)cc2)S1	ir: 3 2 1 3 9 13 18 32 6 7 8 17 18 6 3 3 3 4 5 2 1 3 6 2 5 3 2 1 2 2 2 2 2 2 2 1 1 2 2 1 4 8 7 26 5 2 2 1 1 1 1 2 2 0 29 4 2 5 3 8 4 9 4 2 2 2 2 0 3 10 1 0 3 6 21 10 8 3 2 1 1 2 2 2 2 2 3 5 3 3 2 1 2 2 1 2 6 32 5 3 1 2 2 4 2 1 1 1 1 2 2 16 3 3 3 2 3 2 3 2 3 2 1 2 4 10 5 1 2 1 1 1 2 1 1 2 2 11 4 28 2 4 13 2 3 22 33 4 45 58 3 2 2 2 2 2 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 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 6 7 9 100 15 6 4 2 2 2 1 1 1 1 1 1 1 1 2 2 1 1 2 2 2 1 8 27 86 14 2 2 3 2 0 1 2 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 77 m 2H \| 75 75 ddd 1H J 7 16 75 \| 75 75 m 2H \| 73 72 ddd 1H J 15 75 88 \| 72 72 td 1H J 13 75 \| 71 71 dd 1H J 13 84 \| 66 66 s 0H \| 62 61 dd 1H J 7 42 \| 59 59 d 1H J 42	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)Cc1cccc(CC(F)(F)F)n1	ir: 6 10 8 15 31 16 25 5 5 3 5 8 9 6 2 5 5 2 2 4 5 3 3 4 6 3 7 4 4 2 2 10 8 8 5 7 8 5 3 5 4 2 3 5 6 16 16 40 35 20 17 13 5 1 3 6 3 0 4 8 12 6 3 12 8 3 9 6 2 1 4 5 2 1 4 5 3 3 7 8 6 3 6 6 2 2 9 6 15 16 18 16 12 5 8 9 2 6 11 8 15 24 100 24 78 15 54 6 3 4 5 3 3 5 5 5 4 5 7 20 9 13 6 4 12 16 15 9 4 5 5 4 3 5 5 6 8 18 56 11 13 16 6 3 11 10 6 2 2 6 5 1 3 12 59 26 75 7 4 3 3 4 3 2 3 4 3 2 3 4 3 1 3 5 3 1 3 4 3 1 3 4 2 1 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 3 1 3 4 3 1 3 4 3 1 3 5 3 1 3 4 3 2 3 4 3 1 3 4 2 2 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 4 4 2 3 4 5 4 10 19 10 10 4 6 5 3 11 19 15 4 25 30 24 5 5 5 4 2 4 4 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 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 2 2 3 4 2 2 3 4 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 73 72 t 1H J 69 \| 70 70 m 2H \| 34 33 qd 4H J 9 100	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1cnoc1-c1ccc(C(F)(F)F)cc1)N1CCC(c2ccc(C(F)(F)F)cc2)C1	ir: 2 3 1 1 1 1 1 1 1 1 3 1 1 1 1 1 3 6 22 4 1 1 1 1 2 3 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 2 1 0 1 2 1 2 5 8 4 3 31 61 15 7 27 11 3 3 2 2 11 2 4 10 6 2 8 6 1 1 1 1 1 1 0 1 1 2 1 1 1 8 8 1 3 4 7 4 6 2 3 5 3 4 39 9 22 4 13 5 6 6 3 4 15 15 6 8 100 12 4 3 3 3 0 2 7 8 11 14 10 7 10 18 6 2 3 8 26 6 1 1 0 1 1 0 0 1 1 0 1 13 2 2 7 50 7 5 2 27 2 1 1 0 1 1 1 1 3 1 1 0 0 1 0 0 1 0 12 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 1 0 1 1 1 1 2 1 1 1 1 2 5 6 6 5 2 1 2 9 7 7 24 18 24 78 21 4 6 10 6 4 1 3 2 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 s 1H \| 78 78 m 2H \| 77 77 dq 2H J 14 107 \| 76 76 dq 2H J 14 73 \| 73 72 m 2H \| 41 40 m 1H \| 38 37 m 1H \| 37 37 ddd 1H J 52 70 120 \| 36 35 ddd 1H J 52 70 120 \| 33 33 tt 1H J 36 45 \| 23 22 ddt 1H J 47 70 128 \| 21 20 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(CC[C@@H]1CC[C@@H](C(=O)O)CC1)C(=O)OC(C)(C)C	ir: 3 4 8 5 6 4 0 8 13 28 21 23 10 4 7 9 7 19 17 23 14 34 100 21 28 15 5 2 1 1 1 1 1 2 1 1 2 2 4 2 3 3 1 1 1 1 1 0 1 1 1 0 2 4 4 3 2 2 1 2 2 3 2 2 2 2 2 2 2 2 2 4 4 3 3 5 11 31 73 19 8 7 3 2 2 2 2 4 9 4 3 1 2 2 5 7 2 4 3 3 4 3 2 9 5 6 4 2 2 4 3 8 10 9 5 7 8 15 7 9 15 7 9 11 16 19 3 8 12 14 6 16 7 3 6 3 3 7 2 3 2 6 9 39 5 3 2 2 2 1 32 30 3 2 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 2 3 2 6 6 3 2 2 2 1 4 10 4 5 26 12 2 1 2 1 1 1 1 1 2 1 15 50 6 2 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 33 32 dt 1H J 88 123 \| 32 31 dt 1H J 88 123 \| 30 29 s 2H \| 21 20 tt 1H J 49 75 \| 19 17 m 4H \| 16 15 m 7H \| 15 14 s 7H \| 13 12 dddd 2H J 60 73 84 132	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2cc(C(=O)O)nn2-c2cccnc2)nn1	ir: 2 0 0 3 1 1 0 1 0 1 2 3 3 5 3 2 1 1 2 9 37 22 8 2 3 5 4 2 14 2 1 1 0 4 2 3 3 2 1 0 0 3 0 0 1 2 1 0 0 1 2 2 7 13 3 1 4 2 0 1 1 2 7 4 1 2 2 2 1 5 3 1 2 3 2 2 4 9 25 18 1 1 1 1 2 1 2 2 2 3 2 2 1 1 0 2 1 0 0 0 0 0 0 1 1 0 0 0 1 0 0 2 7 1 1 2 2 2 1 3 9 13 2 10 4 2 1 2 2 4 4 3 5 2 1 4 1 1 1 28 3 1 2 4 4 1 1 1 1 2 1 2 4 3 4 1 2 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 3 9 18 20 11 6 2 2 0 0 1 100 95 10 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 90 m 1H \| 85 85 ddd 1H J 14 21 37 \| 79 79 m 3H \| 77 77 dq 1H J 8 74 \| 76 75 dd 1H J 37 73 \| 25 24 d 3H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1=C(OC)C(=O)C(Cc2cccc(C(=O)O)c2O)=C(C)C1=O	ir: 4 5 11 4 9 6 6 6 6 8 7 16 12 8 8 9 6 11 13 8 24 18 36 27 43 69 100 56 55 23 10 8 5 7 6 6 2 8 12 23 17 11 8 30 20 23 9 26 13 0 4 5 3 5 4 3 6 6 6 8 3 4 2 3 4 4 8 5 4 5 2 4 7 5 5 4 8 16 82 92 25 8 12 6 10 19 6 5 6 12 13 38 32 33 16 9 6 7 5 2 4 6 6 11 11 7 5 9 4 4 5 3 3 3 3 6 10 19 15 33 24 5 12 5 1 4 4 2 3 2 2 1 3 4 12 8 1 2 2 3 20 7 14 30 9 13 22 7 2 2 1 20 12 2 2 1 1 3 5 3 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 2 2 2 1 1 1 2 2 2 2 2 2 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 2 2 2 3 2 2 2 2 3 3 3 3 3 3 3 4 9 8 12 10 17 7 7 8 67 67 23 6 3 11 74 39 2 0 2 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; 1HNMR: 78 77 dd 1H J 12 85 \| 73 72 dq 1H J 9 81 \| 70 69 t 1H J 83 \| 39 39 s 6H \| 37 37 p 2H J 10 \| 22 22 t 3H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)c2cc(OCCNS(C)(=O)=O)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21	ir: 2 5 6 19 4 4 4 2 1 2 5 2 1 2 3 2 2 5 14 2 1 2 2 1 0 2 2 1 2 3 3 8 13 4 3 4 2 3 6 2 2 2 7 4 8 11 29 7 4 6 3 1 3 7 9 29 15 10 5 4 4 10 5 1 5 7 12 12 4 16 6 9 21 10 3 4 5 4 2 1 3 3 1 1 4 5 7 3 100 11 8 4 3 3 3 3 7 7 2 2 5 4 7 25 53 37 34 14 7 6 7 7 6 3 1 3 8 6 5 7 4 10 5 4 3 3 2 2 3 3 4 3 3 4 4 10 3 2 1 2 2 1 1 2 2 3 6 11 2 15 4 2 3 3 5 8 2 6 58 11 2 3 12 9 2 0 1 2 1 0 1 2 1 0 1 2 2 1 1 2 1 1 3 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 4 2 2 2 2 2 2 3 2 1 2 4 3 6 5 7 18 28 19 7 4 2 2 2 1 1 2 2 2 1 3 4 1 1 2 2 2 4 11 50 8 6 8 11 7 10 7 3 2 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 83 83 d 1H J 70 \| 80 79 d 1H J 82 \| 79 79 d 1H J 22 \| 77 77 s 1H \| 77 77 dd 1H J 22 70 \| 72 71 dd 1H J 22 82 \| 69 69 d 1H J 21 \| 54 53 t 1H J 70 \| 43 42 t 2H J 50 \| 33 32 dt 2H J 50 69 \| 30 30 s 3H \| 17 17 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1cccc(C(=O)Nc2cc(-c3cccc4[nH]ccc34)cc3[nH]ncc23)n1	ir: 0 2 5 1 0 1 4 8 9 3 9 6 7 6 10 3 2 3 4 4 4 7 30 10 12 10 1 5 2 2 8 8 5 23 8 13 5 3 2 4 7 17 17 100 19 6 5 14 12 12 3 2 2 1 1 0 1 0 1 0 1 1 1 1 2 8 10 8 10 5 4 5 2 9 5 1 1 1 2 2 20 3 2 3 19 6 13 1 1 1 1 1 1 1 1 6 6 11 4 5 1 1 2 1 1 1 4 10 27 7 15 3 10 15 3 1 1 2 2 2 1 1 8 8 4 5 8 7 4 2 3 19 2 1 1 1 4 4 7 11 28 14 28 8 35 31 22 21 4 4 1 2 3 3 1 4 23 28 6 6 10 4 1 3 18 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 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 2 1 3 6 6 21 22 23 3 3 1 0 1 1 1 0 1 1 1 0 1 1 1 1 3 5 2 5 11 53 42 28 34 22 6 3 1 2 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 93 92 d 1H J 66 \| 85 85 s 1H \| 82 82 d 1H J 22 \| 79 79 d 1H J 22 \| 78 77 m 2H \| 77 76 dd 1H J 11 77 \| 74 74 dd 1H J 15 78 \| 73 72 m 2H \| 68 68 d 1H J 39 \| 67 67 dd 1H J 12 78 \| 58 57 q 1H J 48 \| 29 29 d 3H J 46	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC(=O)C12CC3CC(CC(C3)C1)C2	ir: 30 12 7 3 0 3 6 3 2 7 6 3 1 4 6 3 1 4 8 5 1 4 5 2 2 5 5 2 5 10 5 6 7 5 5 2 4 6 7 4 5 24 40 54 14 11 5 3 14 20 6 1 4 7 4 1 8 22 28 2 4 7 3 3 17 13 6 1 4 12 14 31 25 13 7 4 10 7 2 1 5 6 3 3 9 8 6 14 64 28 18 5 5 6 3 3 6 5 6 11 11 8 3 14 17 7 5 19 14 42 10 13 29 18 11 8 7 4 1 4 7 4 2 6 14 20 5 25 9 8 8 24 12 6 4 6 6 7 7 13 52 34 14 48 100 5 7 9 6 2 3 9 5 1 3 7 7 10 7 12 6 3 4 6 4 1 3 6 3 0 3 6 3 1 3 6 3 1 4 6 3 1 4 6 3 1 4 5 2 1 4 5 2 2 4 5 2 2 5 5 2 2 5 4 2 2 5 4 2 2 5 4 1 3 5 4 1 3 5 4 2 4 6 4 1 3 6 3 1 3 6 3 1 3 5 3 1 4 5 3 2 4 5 3 2 4 5 3 2 4 5 2 2 5 5 2 3 5 5 2 3 5 5 2 3 5 4 2 3 6 5 2 5 10 9 7 10 12 20 5 34 16 7 6 47 54 61 18 8 8 8 12 15 16 24 8 7 7 4 2 4 5 3 2 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 3 5 4 2 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 2 4 5 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 4 4 2 3 5 3 2 3 5 3 2 3 5 3 2 3 5; 1HNMR: 63 62 dd 1H J 114 167 \| 60 59 dd 1H J 23 168 \| 58 57 dd 1H J 23 113 \| 21 20 m 3H \| 19 18 dt 3H J 58 128 \| 18 17 d 6H J 51 \| 16 16 dt 3H J 58 130	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCNC(=O)Oc1ccc2c(ccn2N(CCC)c2ccncc2)c1	ir: 7 6 3 6 4 3 3 1 1 1 2 9 1 9 7 1 1 1 1 1 1 1 4 2 8 19 20 5 5 3 5 4 12 3 3 4 2 6 1 1 8 3 5 1 2 6 3 3 2 1 1 2 2 24 21 5 8 3 1 0 2 1 3 4 3 2 7 5 4 5 6 8 21 10 4 5 7 2 2 1 1 2 1 0 1 1 1 1 1 2 2 5 2 1 1 1 1 1 1 1 1 3 8 2 0 3 4 8 26 6 1 27 6 2 2 1 2 3 4 6 5 2 5 3 6 2 1 3 1 2 4 5 3 2 1 1 1 0 2 14 2 1 4 8 8 6 65 21 18 100 12 3 22 6 6 3 2 4 2 1 2 7 24 11 7 3 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 1 0 1 2 1 1 1 1 1 1 1 1 1 1 2 3 10 14 4 13 39 15 25 10 10 16 5 1 0 1 1 1 0 1 1 1 2 1 0 1 1 1 2 17 14 32 7 3 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 m 2H \| 78 77 d 1H J 82 \| 76 76 d 1H J 45 \| 75 75 t 1H J 23 \| 71 71 dd 1H J 24 82 \| 69 69 dd 1H J 22 44 \| 67 66 m 2H \| 53 53 t 1H J 53 \| 36 35 t 2H J 62 \| 32 31 q 2H J 54 \| 17 15 m 4H \| 10 10 t 3H J 71 \| 9 8 t 3H J 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCCCCCCCC(=O)Cl	ir: 6 9 10 9 2 4 8 6 4 3 3 2 2 2 2 2 1 1 1 0 1 3 2 2 5 1 1 1 0 1 1 1 2 1 4 3 1 5 8 6 5 5 9 2 3 2 1 3 3 1 2 0 0 1 1 0 3 1 1 2 3 2 3 5 4 2 3 4 4 2 1 2 1 1 0 1 1 1 1 0 1 1 1 2 3 6 3 1 1 1 1 1 1 2 1 2 5 6 4 10 3 5 6 6 3 3 8 13 19 12 13 7 8 9 2 4 5 4 6 15 13 23 9 3 4 7 2 4 5 2 4 5 4 4 8 25 19 19 10 15 9 8 24 38 100 19 13 3 2 2 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 1 1 2 2 2 2 8 10 9 2 4 3 3 3 4 5 16 18 6 5 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 37 36 s 2H \| 29 28 t 2H J 85 \| 23 22 t 2H J 85 \| 17 16 tt 2H J 74 85 \| 15 14 m 2H \| 14 12 m 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nccn2c(C#N)ccc12	ir: 5 5 4 3 5 3 7 4 8 20 3 3 5 3 2 3 6 4 8 25 25 14 4 8 5 2 2 6 10 25 4 4 4 2 2 5 7 5 5 4 4 2 3 5 4 1 3 10 9 3 4 11 4 3 3 4 4 2 3 9 64 34 4 4 4 4 5 4 7 18 4 4 3 2 4 4 3 7 20 5 7 19 15 5 3 2 4 15 7 2 5 5 2 3 6 4 2 3 5 4 2 3 7 4 2 3 4 3 5 19 7 3 2 4 1 16 2 9 8 3 1 4 6 3 0 6 100 12 6 15 10 3 3 4 6 4 36 40 6 2 4 10 4 2 2 6 7 20 98 0 33 4 5 9 42 16 5 5 7 0 35 14 3 5 4 3 3 3 3 3 3 3 3 4 3 3 3 4 3 2 3 4 2 6 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 2 3 3 3 3 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 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 6 4 4 3 3 3 4 3 4 4 6 5 6 5 17 19 15 5 14 59 46 26 4 2 5 6 5 2 4 4 3 2 3 4 3 2 4 4 3 2 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 76 76 d 1H J 57 \| 73 72 d 1H J 57 \| 72 71 d 1H J 64 \| 67 66 d 1H J 64 \| 27 27 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1Cc2cc(C(O)CCl)c(Cl)cc2N1	ir: 1 2 5 1 2 4 23 10 1 3 9 5 1 2 2 1 0 2 3 3 7 14 2 5 6 2 23 25 2 1 1 1 1 1 2 4 1 1 2 1 1 1 1 0 1 1 1 2 2 1 1 4 1 1 1 0 2 2 1 0 0 1 2 1 1 1 3 4 3 4 4 1 1 1 1 1 2 1 0 1 1 1 1 2 4 6 13 6 25 25 8 2 1 2 7 12 3 1 1 1 1 6 2 14 3 1 1 0 1 1 4 2 1 1 1 1 1 3 6 2 2 1 0 1 6 3 3 8 4 1 0 1 1 2 0 0 1 0 0 1 2 1 0 1 1 0 0 5 1 1 1 3 1 1 2 3 61 9 1 2 1 1 12 3 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 4 5 1 1 0 1 1 0 15 10 1 10 23 5 1 1 0 1 1 1 100 1 1 1 1 0 1 1 1 1 1 1 0 0 4 16 42 21 4 3 1 1 2 2 1 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 d 1H J 9 \| 71 70 s 1H \| 51 51 dt 1H J 26 49 \| 40 40 dd 1H J 26 117 \| 38 38 dd 1H J 26 117 \| 36 35 d 1H J 46 \| 34 34 d 2H J 8	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCc1ccccn1	ir: 16 9 22 23 27 6 6 2 2 3 2 3 2 2 2 2 2 8 14 3 4 1 1 2 4 9 4 4 9 8 4 7 6 5 4 7 16 35 51 69 22 12 9 6 9 8 3 2 3 3 2 2 4 12 14 14 7 4 6 8 5 7 10 19 12 5 7 6 12 8 15 5 2 2 3 3 4 1 4 4 6 6 9 4 3 3 1 1 3 21 10 6 2 2 5 4 3 4 8 7 7 7 4 7 3 2 3 3 2 3 4 5 7 17 31 9 4 4 8 15 10 11 29 9 4 4 3 2 8 8 10 22 27 46 22 31 28 19 7 6 3 5 11 28 20 35 8 12 6 7 7 3 4 8 9 8 100 52 9 7 3 1 2 3 2 1 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 3 4 14 7 6 3 1 4 6 5 7 6 15 12 8 61 32 47 17 3 2 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 84 dd 1H J 17 41 \| 77 77 td 1H J 16 74 \| 72 71 ddd 1H J 15 42 75 \| 71 70 dq 1H J 10 75 \| 37 36 s 3H \| 31 31 td 2H J 9 84 \| 28 28 t 2H J 84	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(C)(CC1CCCC1)c1ccccc1	ir: 7 8 13 11 16 10 10 6 9 8 5 3 6 2 27 5 5 9 3 3 3 2 1 8 3 2 2 4 2 9 30 37 14 2 2 3 3 4 8 19 54 13 10 11 10 5 5 1 1 1 1 2 1 3 3 4 2 1 3 3 1 1 3 4 4 6 4 25 13 8 6 4 2 3 5 7 7 6 14 5 3 3 6 5 18 4 2 2 1 1 1 1 0 3 7 3 7 3 2 3 2 2 2 6 8 3 10 8 23 43 13 5 4 5 9 6 8 7 25 14 5 12 6 12 4 4 3 4 2 4 4 7 10 17 22 34 18 2 5 3 7 5 4 18 20 100 32 5 16 5 3 1 2 12 12 4 1 2 1 0 2 10 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 3 4 3 3 3 6 4 6 7 7 7 4 7 26 35 25 25 47 37 5 8 11 5 1 2 3 1 1 1 2 1 0 1 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 74 72 m 6H \| 37 37 s 2H \| 23 22 dd 1H J 60 139 \| 20 19 dd 1H J 60 139 \| 19 18 dqd 1H J 14 45 60 \| 16 15 m 4H \| 15 14 m 1H \| 15 14 s 3H \| 14 13 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)O[C@@H]1CCN(C(=O)c2ccc(I)cc2)C1	ir: 5 8 3 3 1 19 9 5 2 4 4 3 0 1 1 0 0 2 2 1 1 1 1 0 1 1 2 5 3 2 5 3 1 6 6 10 27 17 5 2 2 3 1 1 3 4 3 3 2 2 11 5 6 7 9 6 11 12 10 4 1 1 1 0 1 2 1 1 5 5 6 80 16 20 8 11 14 12 2 3 2 1 1 1 2 5 2 18 100 5 5 2 3 1 2 4 6 7 9 21 16 14 15 4 3 4 4 4 3 3 9 6 5 6 6 6 5 3 5 3 3 15 11 16 7 3 6 4 5 2 5 28 16 2 1 1 1 1 0 1 1 1 5 16 11 6 3 4 2 9 11 6 4 6 1 1 1 1 0 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 2 4 1 1 2 1 1 2 2 2 2 2 4 5 26 16 19 41 49 11 9 4 6 2 2 3 3 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 m 2H \| 77 76 m 2H \| 53 53 tdt 1H J 20 34 41 \| 40 40 m 1H \| 38 37 m 2H \| 36 36 ddd 1H J 53 72 122 \| 29 29 s 2H \| 23 22 dddd 1H J 33 54 71 123 \| 21 20 ddt 1H J 55 74 124	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(NS(=O)(=O)c2ccc(F)c3c2CCCC3)CC1	ir: 5 3 1 3 4 5 6 7 6 5 14 15 3 2 3 1 1 1 4 3 1 2 2 1 1 1 1 1 1 2 3 2 1 1 1 3 2 1 2 1 2 2 5 5 4 4 7 3 1 3 3 3 4 11 27 14 9 9 6 2 9 3 3 5 1 1 4 13 5 9 6 9 11 3 4 2 2 3 2 2 1 2 3 10 6 4 31 29 2 2 2 2 2 1 2 4 2 3 4 4 7 5 5 9 12 8 21 3 4 11 14 7 6 3 6 5 3 12 2 12 5 4 6 9 6 3 3 5 10 4 3 5 6 4 3 3 3 4 2 2 2 1 2 2 6 1 1 2 1 2 4 5 5 15 1 1 1 2 2 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 2 2 2 3 7 14 4 7 16 11 6 2 0 2 2 1 1 1 2 1 0 2 2 1 0 2 3 0 4 75 100 10 6 0 0 2 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 dd 1H J 48 95 \| 74 73 dd 1H J 94 102 \| 58 58 d 1H J 97 \| 37 36 ddd 2H J 60 87 130 \| 34 32 m 5H \| 31 29 m 2H \| 29 28 m 1H \| 21 20 m 2H \| 19 17 m 7H \| 15 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nccc1[C@H]1CC(F)(F)C[C@@H]1Oc1ccc(S(=O)(=O)Nc2ccncn2)c(F)c1	ir: 1 5 6 5 2 3 4 2 6 19 6 4 4 2 4 3 3 2 3 4 2 1 2 2 3 2 1 3 7 4 2 3 8 11 37 26 14 7 9 9 7 4 7 4 8 22 35 28 13 6 6 11 14 4 16 3 3 1 2 1 3 4 3 2 17 11 7 18 10 2 6 8 6 7 5 2 2 1 2 3 2 15 8 14 38 10 5 3 32 3 3 3 6 21 39 13 10 2 2 3 5 8 4 8 11 3 2 4 5 4 4 6 5 2 4 4 4 2 2 4 9 8 24 15 14 8 8 4 3 1 1 3 9 5 2 2 27 4 3 4 5 2 0 1 1 2 4 9 29 12 6 3 9 7 7 6 4 12 100 9 5 36 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 1 1 1 1 1 2 2 3 3 2 1 3 3 2 4 6 6 17 19 11 15 5 3 1 1 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 2 4 12 17 6 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: 87 86 t 1H J 16 \| 86 86 dd 1H J 17 39 \| 79 78 dd 1H J 47 94 \| 74 74 d 1H J 31 \| 72 71 dd 1H J 16 39 \| 70 69 dd 1H J 21 121 \| 69 69 dd 1H J 22 94 \| 62 61 dd 1H J 7 31 \| 51 51 dddd 1H J 24 36 45 90 \| 37 36 m 1H \| 37 37 s 3H \| 27 26 dtd 1H J 42 126 161 \| 26 22 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc(/C=C/C(c2cc(Cl)cc(Cl)c2)C(F)(F)F)ccc1-n1cncn1	ir: 3 6 4 2 2 8 6 6 4 6 16 10 9 8 7 6 7 8 8 22 24 58 17 6 10 13 5 4 3 4 8 5 3 6 2 1 1 9 6 2 3 4 7 3 4 8 10 2 2 4 2 1 42 16 3 2 5 5 15 2 2 4 3 0 7 50 11 7 14 6 3 2 3 4 12 8 17 70 24 5 9 6 5 5 3 4 11 7 6 5 3 22 13 12 3 3 4 12 18 7 7 10 27 4 8 5 2 7 10 8 4 46 4 1 0 20 10 5 3 3 4 3 11 7 7 7 3 6 5 5 3 1 4 2 1 5 8 1 1 2 3 1 2 5 4 13 16 23 4 3 15 11 2 1 2 4 3 8 7 7 3 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 2 1 1 1 2 1 2 2 6 4 7 14 17 38 93 21 27 10 0 4 4 2 1 15 100 6 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 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: 90 90 d 1H J 16 \| 83 83 d 1H J 18 \| 80 80 d 1H J 20 \| 78 78 d 1H J 86 \| 78 77 m 1H \| 74 74 dd 2H J 7 22 \| 73 73 t 1H J 22 \| 69 68 m 1H \| 66 65 ddq 1H J 26 88 187 \| 43 42 dtdd 1H J 10 93 103 112	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cc(Cl)ncc1C1=CCSCC1	ir: 9 9 39 15 20 6 11 5 3 7 6 9 1 3 4 5 8 2 3 4 1 4 4 3 3 4 2 2 1 3 4 2 1 5 2 10 9 11 7 6 1 3 3 1 3 4 3 1 1 4 2 1 2 6 4 3 3 3 4 2 2 3 2 1 4 10 3 6 3 2 2 1 3 4 2 1 3 8 10 6 2 2 1 0 2 2 1 8 3 1 0 1 2 1 0 1 3 3 1 1 2 1 0 1 8 4 3 5 6 4 1 1 3 2 2 3 3 3 2 4 5 3 1 2 2 1 0 1 2 1 2 5 5 5 1 2 2 0 0 1 2 0 0 2 2 2 8 2 2 1 1 3 9 3 12 14 43 13 28 3 2 12 15 8 2 1 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 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 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 1 1 1 1 2 2 1 2 3 2 2 1 2 2 4 3 8 11 13 16 6 1 0 1 2 1 0 1 2 1 1 1 2 1 0 3 17 11 15 2 1 1 1 1 1 1 1 3 24 100 21 4 2 1 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 84 83 s 1H \| 66 66 s 1H \| 61 60 t 1H J 35 \| 54 54 s 2H \| 33 32 m 2H \| 28 28 s 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1cccc(-c2nc(Cl)c3c(n2)CCCC3)c1	ir: 1 2 2 2 1 1 2 2 1 2 2 2 2 2 2 1 1 2 3 3 1 2 2 3 8 2 5 3 5 2 2 2 1 2 2 1 2 2 1 1 1 2 4 3 11 30 25 34 4 3 4 3 7 29 27 8 4 3 3 1 2 5 2 1 2 2 3 2 5 5 2 2 2 2 1 2 2 2 1 2 3 2 1 1 1 1 1 1 7 2 1 2 4 2 2 2 2 1 1 2 2 2 1 1 2 2 1 1 4 3 3 2 6 3 6 4 3 3 1 7 3 5 2 7 3 4 4 6 15 38 11 5 2 2 2 1 2 2 4 18 6 3 3 0 36 11 5 5 52 100 7 5 6 0 1 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 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 2 1 1 1 2 1 1 1 2 1 1 2 2 2 4 4 3 2 2 2 4 2 5 20 5 15 35 26 4 3 3 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 ddd 1H J 15 22 95 \| 78 78 t 1H J 21 \| 74 73 dd 1H J 80 94 \| 74 73 ddd 1H J 15 22 79 \| 28 27 ddd 2H J 12 58 79 \| 27 26 t 2H J 85 \| 21 20 m 2H \| 19 18 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@]12CCC[C@H]1[C@@H]1CC[C@@H]3CC(=O)CC[C@]3(C)[C@H]1CC2	ir: 7 2 7 1 11 4 5 1 1 13 9 37 10 3 6 46 17 5 3 2 6 1 1 2 7 3 2 2 2 1 2 3 14 7 3 2 3 1 6 5 15 12 6 5 4 2 3 3 6 9 14 6 7 4 7 3 2 2 22 7 16 12 3 6 10 7 11 31 4 8 8 5 1 1 2 10 12 2 2 3 2 2 2 3 2 4 8 26 9 3 4 18 17 4 3 14 11 27 7 5 4 11 9 5 14 25 32 50 35 14 19 20 35 16 14 23 12 24 14 15 38 24 42 35 73 17 13 19 2 5 8 4 10 26 11 14 5 7 2 6 16 4 29 44 97 24 7 2 2 6 5 0 4 3 2 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 0 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 0 2 2 0 1 2 2 1 2 2 3 1 1 2 2 0 2 3 2 2 2 3 3 2 5 11 9 7 28 17 45 11 13 28 9 7 18 73 100 55 10 2 4 6 2 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 26 25 dd 1H J 49 158 \| 24 24 ddd 1H J 55 81 150 \| 24 23 m 2H \| 21 20 ddd 1H J 56 82 136 \| 17 12 m 16H \| 11 10 m 3H \| 10 10 s 2H \| 9 8 m 1H \| 8 7 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCCC(=O)N[C@H](CO)c1ccccc1	ir: 6 5 3 2 5 7 3 4 5 5 9 6 3 20 9 9 6 6 5 8 3 4 4 9 3 3 5 15 9 20 19 17 9 8 20 11 17 10 7 6 22 45 4 3 4 4 1 3 2 1 2 1 2 1 2 2 1 2 2 4 2 1 2 2 2 4 7 9 6 1 4 6 5 1 4 2 3 9 8 5 1 2 3 3 1 1 5 4 3 6 7 13 15 55 33 59 47 7 9 5 7 2 2 2 3 1 5 7 6 5 6 4 5 3 13 11 6 2 3 4 7 5 1 3 2 2 2 3 2 3 4 2 2 3 9 9 4 5 3 3 17 8 14 17 23 42 28 3 4 3 2 3 4 3 2 1 2 1 2 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 2 3 2 3 1 1 4 4 7 6 8 10 8 13 13 45 14 8 10 47 89 100 39 19 13 4 4 1 2 1 2 2 2 2 1 3 2 3 9 18 12 8 3 2 3 1 1 2 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 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 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 75 74 m 2H \| 73 72 m 3H \| 69 69 d 1H J 88 \| 58 57 m 1H \| 52 51 ddt 1H J 11 25 167 \| 51 50 ddt 1H J 13 25 112 \| 50 49 ddd 1H J 39 48 78 \| 41 40 ddd 1H J 44 56 125 \| 38 38 ddd 1H J 44 56 123 \| 32 31 t 1H J 56 \| 23 22 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(S(=O)(=O)c2ccccc2C=[N+]([O-])Cc2ccccc2)CC1	ir: 2 4 5 8 9 8 3 3 3 4 15 7 0 16 10 23 15 2 2 2 3 2 6 2 1 3 2 5 3 6 2 2 1 4 3 5 3 5 12 9 4 11 16 53 6 5 3 3 4 11 3 3 2 4 2 0 8 7 2 2 13 3 2 2 6 37 3 3 5 8 4 0 3 5 3 7 8 12 86 17 7 14 8 13 14 43 11 100 3 25 3 2 3 12 5 2 6 13 5 15 28 6 10 15 3 2 0 1 3 2 0 2 2 2 1 3 3 2 1 2 5 3 1 2 3 1 1 2 3 4 5 3 3 3 2 9 27 4 2 2 3 2 4 14 4 6 2 4 11 23 6 9 5 1 2 3 2 1 2 4 2 0 1 2 2 1 1 2 1 0 1 3 1 0 2 3 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 3 2 4 2 1 2 4 2 1 7 13 15 88 22 5 2 3 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 1 2; 1HNMR: 86 86 m 1H \| 81 81 dd 1H J 14 74 \| 80 80 dd 1H J 15 88 \| 77 76 ddd 1H J 15 75 88 \| 76 75 td 1H J 15 75 \| 75 75 dq 2H J 10 74 \| 74 74 m 2H \| 73 73 m 1H \| 53 53 q 2H J 10 \| 32 31 m 4H \| 26 25 m 4H \| 23 23 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(CNC(=O)Nc2ccsc2C(=O)OC)cc1	ir: 5 2 4 3 3 1 3 3 3 3 9 6 7 7 12 31 1 2 2 3 6 12 2 3 0 1 1 1 1 1 1 0 0 2 7 4 2 2 1 0 1 2 2 1 4 3 2 1 2 3 1 2 2 6 7 8 42 100 16 5 3 0 1 1 1 0 0 0 1 4 2 0 0 1 1 2 1 1 2 4 8 1 4 1 1 1 1 1 1 1 0 2 1 1 1 1 0 1 2 3 1 1 4 2 1 1 0 1 0 1 0 1 9 10 3 8 2 3 7 12 14 2 2 2 0 5 5 1 1 0 1 1 2 2 4 1 1 0 1 1 1 1 3 13 7 3 11 15 3 5 23 13 7 8 31 2 2 1 7 46 4 4 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 1 0 0 0 0 0 1 0 0 0 0 0 1 1 3 3 3 15 29 7 12 16 12 2 1 1 1 1 0 0 0 1 1 1 1 1 2 1 1 2 4 16 53 37 7 6 4 1 0 2 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; 1HNMR: 79 79 m 2H \| 76 75 d 1H J 55 \| 75 74 d 1H J 55 \| 74 74 dq 2H J 9 81 \| 71 70 s 1H \| 70 69 t 1H J 52 \| 44 43 dt 2H J 9 51 \| 40 39 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.
CON(C)C(=O)CNC(=O)OC(C)(C)C	ir: 12 27 6 6 5 3 4 4 10 9 6 5 3 4 3 12 6 4 9 18 7 5 4 4 10 5 2 5 5 0 2 67 56 23 11 2 4 13 6 5 4 5 4 2 3 5 3 2 3 5 3 1 3 6 13 5 4 6 7 2 3 6 3 3 5 17 4 3 4 4 3 3 4 4 3 2 4 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 5 4 8 9 4 6 3 3 4 3 2 3 4 4 7 3 3 4 2 3 4 4 5 10 9 8 7 16 41 65 24 24 10 8 15 36 9 7 4 4 4 3 4 5 5 14 14 6 4 6 33 46 9 53 4 5 4 2 3 3 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 3 5 5 6 3 4 5 5 4 10 7 3 6 5 6 4 23 6 5 3 3 4 4 2 3 3 3 3 3 3 3 2 3 4 3 3 3 3 3 3 4 4 9 14 100 7 4 4 4 4 2 2 3 3 2 3 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 3 3; 1HNMR: 59 58 t 1H J 55 \| 40 39 d 2H J 55 \| 36 35 s 3H \| 30 30 s 3H \| 14 14 s 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)CNCCS(=O)(=O)c1ccccc1	ir: 1 4 8 24 13 6 7 4 5 14 14 12 9 19 4 3 3 4 2 2 1 1 2 1 2 2 2 6 9 75 93 6 4 5 4 3 4 3 16 51 25 21 25 48 12 4 10 6 4 6 5 2 3 4 3 4 4 3 3 0 3 4 9 9 36 35 11 4 12 15 5 6 20 19 9 4 21 19 9 2 2 2 3 5 93 21 4 2 5 3 4 2 3 3 2 3 4 6 13 19 16 14 9 12 16 3 4 7 8 6 7 26 19 7 5 3 7 7 3 10 11 5 3 4 4 3 2 6 9 4 6 9 21 5 71 48 44 7 6 3 6 9 7 6 5 11 5 7 2 2 2 5 4 1 2 2 3 4 2 2 2 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 1 2 2 3 4 4 3 4 4 3 2 6 8 4 10 23 8 8 41 32 18 9 10 8 7 5 4 4 3 2 1 4 6 3 8 13 2 53 100 47 9 4 2 4 4 2 1 3 2 0 1 2 2 1 2 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 79 78 m 2H \| 77 76 m 1H \| 76 75 m 2H \| 49 49 dh 1H J 15 29 \| 47 47 dq 1H J 12 24 \| 34 33 m 2H \| 32 32 dt 2H J 14 49 \| 32 31 m 3H \| 17 17 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCSc1ccc(NC(=S)NC(=O)OC)c([N+](=O)[O-])c1	ir: 4 3 2 1 1 1 1 3 3 3 5 2 2 4 1 1 1 1 2 1 0 2 2 1 1 1 1 2 2 1 3 4 3 2 5 2 1 1 1 0 1 1 1 1 2 2 2 3 8 45 17 33 6 2 2 20 7 2 2 1 1 1 1 1 5 7 3 11 2 1 0 1 1 0 0 0 0 0 1 0 1 2 1 0 0 1 0 0 0 0 0 0 0 1 2 1 1 2 6 21 6 2 0 1 1 3 0 3 2 1 0 2 2 1 0 2 3 2 1 3 8 9 3 1 0 2 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 0 2 2 3 4 8 14 22 18 28 28 6 11 3 3 4 2 1 1 1 3 1 1 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 6 5 4 9 12 10 3 2 2 1 1 1 1 1 0 0 1 1 1 1 1 0 0 1 1 1 2 9 29 100 15 5 3 2 3 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 s 1H \| 82 81 d 1H J 22 \| 78 77 d 1H J 78 \| 76 76 dd 1H J 21 78 \| 38 38 s 3H \| 29 29 t 2H J 66 \| 17 16 p 2H J 62 \| 15 14 dtd 2H J 61 71 132 \| 10 9 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCNC(=O)c1ccc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1	ir: 1 3 6 7 11 7 4 6 7 6 11 6 8 2 2 4 3 3 2 2 1 2 3 3 3 3 2 4 4 9 29 9 3 1 4 14 21 8 3 11 47 11 10 10 10 4 7 4 2 1 1 2 3 11 14 7 5 5 3 1 4 2 3 2 2 5 3 6 10 3 5 3 2 1 1 1 1 1 4 2 1 1 1 1 1 2 3 1 2 4 2 1 2 2 1 2 3 1 1 1 1 2 1 1 3 3 1 4 2 3 2 3 9 9 3 5 2 5 13 12 18 14 9 19 14 14 4 4 3 3 4 5 3 3 2 18 51 12 5 1 2 2 9 30 19 16 8 12 16 9 6 100 5 2 5 3 1 0 1 4 16 3 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 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 2 1 1 2 3 3 4 2 2 2 4 4 4 5 14 23 25 26 18 12 5 4 1 2 1 1 1 2 1 3 1 2 1 1 2 1 1 1 3 5 6 17 26 22 6 4 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 81 81 d 1H J 20 \| 80 80 m 2H \| 79 79 m 2H \| 79 78 d 1H J 83 \| 71 70 m 1H \| 70 70 dd 1H J 19 83 \| 41 41 d 2H J 50 \| 38 37 ddd 2H J 58 85 122 \| 36 35 m 4H \| 34 33 m 2H \| 34 34 s 3H \| 22 20 m 3H \| 18 17 ddt 2H J 59 85 126 \| 15 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2c(cc1C(=O)N1CCc3cc(F)ccc31)[nH]c(=O)c1nnc(C3CCC(F)(F)CC3)n12	ir: 2 3 7 2 1 3 7 4 1 1 1 1 10 5 6 6 3 1 1 2 4 4 7 35 19 30 11 7 4 3 4 6 6 3 2 3 2 3 2 4 6 9 79 12 5 5 2 1 1 1 1 0 2 5 8 19 4 2 3 1 1 6 2 6 8 8 8 7 10 6 4 2 5 1 3 17 3 2 2 2 5 3 1 0 2 2 5 2 5 12 11 3 4 3 8 4 5 5 3 3 4 15 11 3 2 2 5 6 6 5 12 12 15 8 15 5 4 1 5 5 3 5 7 8 8 4 5 6 5 6 7 5 3 4 5 8 3 16 14 3 7 33 8 4 24 16 10 8 9 4 3 6 13 8 2 4 9 28 100 12 5 4 2 1 1 1 6 1 0 1 0 0 0 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 1 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 1 1 1 1 1 1 1 3 1 3 3 6 5 2 4 3 5 4 17 18 15 7 48 22 8 6 4 4 4 2 1 2 1 1 1 1 1 1 3 2 0 1 5 2 24 21 51 17 12 7 7 8 6 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 1 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 10 \| 76 75 s 1H \| 72 72 dd 1H J 46 88 \| 70 69 ddd 1H J 24 88 101 \| 69 69 ddt 1H J 9 24 121 \| 43 42 t 2H J 42 \| 31 29 m 3H \| 25 24 s 3H \| 23 21 m 5H \| 21 19 m 2H \| 19 18 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OCCCCCC(=O)Cl	ir: 4 1 2 5 4 3 4 5 10 18 5 6 6 10 8 8 7 6 1 3 5 10 3 2 1 0 1 1 1 0 1 1 1 1 1 4 2 3 7 5 8 2 4 1 5 0 1 1 1 1 1 2 1 1 1 1 1 0 1 2 2 2 2 4 8 10 7 10 7 1 5 4 1 1 1 1 1 1 1 1 1 2 3 5 8 5 6 2 1 1 2 1 1 2 4 3 1 1 2 3 0 6 25 7 3 4 9 8 19 11 18 5 9 8 9 6 4 16 24 13 14 11 11 30 28 14 14 6 3 4 3 6 3 9 11 25 23 24 17 10 4 2 5 14 100 13 2 4 2 2 3 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 2 1 2 2 5 8 15 4 7 7 7 10 6 6 5 20 35 6 7 6 7 3 5 6 2 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0; 1HNMR: 41 41 t 2H J 62 \| 29 28 t 2H J 85 \| 21 20 s 2H \| 17 16 m 4H \| 15 14 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1nc2c(C(F)(F)F)cccn2c1-c1cccc(O)c1	ir: 5 3 3 4 5 3 2 3 3 2 2 3 2 2 2 2 2 4 2 2 2 2 2 2 3 3 2 3 3 4 2 3 4 7 2 3 2 1 2 3 3 4 17 5 10 0 6 33 79 8 4 4 3 28 13 59 3 5 3 8 6 19 10 4 4 4 5 4 17 15 3 3 4 3 3 2 3 8 6 3 5 7 7 20 63 5 5 10 10 7 25 12 5 3 2 3 4 3 2 9 10 3 2 6 9 13 6 3 7 27 4 4 6 3 4 3 29 21 7 12 18 12 32 7 17 5 9 4 5 10 26 12 6 5 3 3 2 2 3 4 9 14 4 13 3 3 10 16 3 3 2 3 22 6 5 21 2 3 3 2 3 15 7 3 3 7 3 3 2 2 2 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 3 2 3 2 2 2 2 2 2 3 4 5 8 6 4 3 3 6 8 3 5 6 8 14 34 50 24 67 85 76 10 14 8 5 5 6 100 26 8 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 90 89 dd 1H J 13 75 \| 78 77 dp 1H J 13 108 \| 75 74 ddd 1H J 11 20 68 \| 74 73 m 2H \| 72 72 s 1H \| 72 71 t 1H J 21 \| 69 68 ddd 1H J 13 22 82 \| 15 15 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(I)cc(NC(C)=O)c1	ir: 2 2 4 2 1 2 2 1 2 2 2 3 2 2 3 6 18 3 4 1 1 2 2 1 1 3 3 1 3 34 19 14 7 72 12 9 7 3 2 3 2 1 2 2 1 1 1 2 1 1 3 3 3 2 1 1 2 1 1 1 1 1 1 2 3 4 13 12 9 17 38 7 3 5 4 3 2 1 1 2 1 1 1 1 1 1 3 2 1 7 2 1 2 2 1 1 6 5 1 2 3 2 2 49 0 1 3 2 1 1 2 2 7 4 1 6 5 28 4 10 4 2 3 3 3 4 4 9 6 14 2 2 2 1 1 2 2 1 1 2 3 2 4 9 100 35 17 5 2 4 2 1 34 3 2 1 2 2 2 1 10 2 6 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 1 2 1 1 2 1 2 3 3 2 2 5 8 11 14 35 30 6 3 2 4 3 1 1 1 1 1 1 1 2 1 1 1 3 1 3 3 7 6 26 22 10 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 95 94 s 1H \| 82 81 t 1H J 22 \| 81 81 t 1H J 22 \| 80 80 t 1H J 22 \| 44 44 q 2H J 64 \| 22 21 s 3H \| 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.
CCCc1c(S)ccc2c(=O)cc(C(=O)O)oc12	ir: 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 2 4 2 1 2 3 4 4 100 2 2 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 2 1 2 1 1 1 1 1 1 7 3 1 1 1 1 1 1 1 1 1 1 4 2 1 1 1 1 1 1 1 1 1 5 4 3 5 1 1 1 1 2 1 1 2 1 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 4 5 2 2 1 1 1 1 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6 2 1 1 1 7 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 7 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 2 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 2 2 1 1 3 5 3 2 2 1 1 1 3 8 25 7 0 2 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 d 1H J 71 \| 74 73 d 1H J 73 \| 68 67 s 1H \| 51 50 s 1H \| 30 29 t 2H J 60 \| 17 16 qt 2H J 60 75 \| 10 10 t 3H J 74	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCNc1nc(NCCC)nc(NCCC)n1	ir: 0 1 2 1 2 1 2 1 1 1 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 8 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 1 2 2 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 2 0 0 0 0 0 0 0 0 0 2 100 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 1 1 0 0 0 0 0 0 7 6 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 62 61 t 1H J 32 \| 54 53 t 2H J 46 \| 43 43 dd 2H J 25 32 \| 36 35 td 4H J 46 62 \| 24 23 t 1H J 25 \| 18 17 qt 4H J 62 70 \| 10 10 t 6H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=P(Cl)(Cl)Oc1ccc2ncccc2c1	ir: 2 2 3 8 4 1 0 1 1 1 0 2 4 1 2 4 5 1 0 1 4 8 1 1 2 3 2 2 3 32 9 13 0 1 1 1 7 2 4 22 3 2 1 1 1 0 6 31 1 1 1 1 2 8 5 83 100 32 29 14 2 0 1 7 5 0 2 4 14 32 12 2 7 8 2 8 58 5 5 1 1 1 0 1 1 2 0 1 0 30 20 2 1 1 0 1 3 27 5 10 36 1 2 6 1 0 1 1 1 1 19 1 2 1 0 1 0 0 0 1 1 2 9 12 4 0 1 2 11 1 0 1 1 0 0 1 1 11 70 5 5 2 2 2 3 1 5 36 3 16 2 5 48 2 14 9 46 29 3 0 2 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 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 1 1 1 0 0 1 1 1 0 0 1 1 1 2 2 2 3 4 2 8 27 47 79 82 8 8 5 2 2 2 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 89 88 dd 1H J 17 41 \| 81 80 dt 1H J 20 83 \| 80 80 d 1H J 81 \| 75 75 t 1H J 22 \| 75 74 dd 1H J 41 82 \| 74 74 dd 1H J 24 79	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)NN=C(C(O)CC)N1CCc2nc(-c3ccccc3)oc2C1	ir: 8 4 1 6 1 4 4 5 3 3 2 5 1 4 9 5 3 2 1 1 1 1 2 2 4 3 3 2 3 13 13 10 4 6 3 1 1 2 1 3 3 12 1 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 0 1 1 1 2 1 2 1 1 0 4 1 1 1 2 2 4 1 1 1 1 1 1 1 1 2 5 6 12 13 7 8 7 4 2 2 3 7 6 2 2 1 1 1 1 2 2 6 4 4 2 6 2 0 1 1 2 2 4 1 1 1 1 2 2 2 3 5 2 1 5 3 1 2 7 14 1 2 2 13 1 3 6 2 2 6 7 3 2 2 19 4 1 1 4 16 1 1 1 1 0 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 1 0 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 2 6 3 4 6 11 3 1 0 2 7 0 100 7 1 2 1 0 0 1 1 0 1 1 1 1 1 2 8 23 8 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 m 3H \| 75 74 m 3H \| 48 47 m 2H \| 43 42 m 3H \| 39 39 d 1H J 60 \| 39 38 m 1H \| 38 37 m 1H \| 29 29 m 2H \| 19 18 dqd 1H J 57 74 121 \| 17 16 dqd 1H J 57 74 121 \| 13 13 t 3H J 62 \| 10 10 td 3H J 15 74	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCSc1c(C(N)=O)cnn2cc(-c3ccc(C#N)cc3)cc12	ir: 2 3 4 5 3 4 5 3 4 10 4 3 3 7 5 2 5 7 50 10 29 11 5 3 8 8 6 8 18 4 5 2 2 4 4 4 6 11 15 2 2 3 3 3 3 5 72 60 7 0 2 5 6 0 9 95 28 18 6 1 2 5 4 3 8 14 9 2 4 15 6 3 5 5 12 8 4 4 2 2 3 3 2 3 4 4 1 8 13 2 8 3 3 3 2 2 2 3 5 5 4 3 1 3 3 2 2 3 11 2 2 2 3 2 2 3 3 5 1 9 4 8 6 6 7 3 6 29 6 2 2 3 9 6 1 2 2 7 1 3 3 2 10 3 4 3 26 21 3 3 3 3 18 64 4 35 10 4 7 21 56 91 4 1 2 2 3 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 3 3 2 1 2 2 2 1 2 3 1 1 2 2 1 2 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 2 2 3 2 1 2 2 1 1 2 2 1 2 2 4 1 2 2 2 2 2 2 2 1 1 2 2 1 2 3 3 1 2 2 3 3 2 3 3 2 4 4 4 10 4 14 18 19 22 35 15 41 9 8 2 4 2 5 2 1 3 4 2 1 4 98 14 3 3 2 1 1 3 3 0 1 5 5 61 100 2 0 4 2 1 2 2 2 1 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 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 1 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; 1HNMR: 88 87 s 1H \| 83 83 d 1H J 16 \| 77 77 m 2H \| 77 76 m 2H \| 74 73 s 2H \| 67 67 d 1H J 16 \| 31 30 q 2H J 66 \| 14 13 t 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccccc1C(=O)/C(C#N)=C/N(C)C	ir: 3 5 9 9 4 6 9 13 11 5 9 3 2 5 7 3 4 6 5 4 11 8 7 3 3 4 7 3 3 4 4 4 3 3 7 7 8 13 7 30 100 38 77 82 39 42 7 23 6 7 3 0 2 5 3 0 4 5 6 8 7 10 13 4 10 11 12 12 8 8 8 5 7 11 6 7 6 6 4 2 4 4 2 2 4 5 5 8 11 13 33 20 25 15 3 3 5 4 4 2 5 5 3 7 10 16 7 16 18 14 10 6 9 3 4 5 21 15 4 7 5 8 7 16 49 17 4 5 7 8 4 4 5 4 5 15 13 10 8 14 19 7 18 36 21 5 16 8 16 10 5 3 3 3 3 4 4 2 5 6 9 3 2 4 3 1 2 4 3 1 2 4 2 1 2 4 3 1 3 4 2 8 4 9 4 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 5 4 3 2 4 4 2 3 5 5 3 5 11 8 5 8 34 24 55 79 11 15 6 4 3 3 3 3 4 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 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 2 2 3 3 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3; 1HNMR: 79 79 dd 1H J 17 78 \| 78 78 hept 1H J 11 \| 75 74 td 1H J 13 77 \| 74 74 td 1H J 17 77 \| 73 73 dt 1H J 10 77 \| 28 28 d 6H J 10 \| 25 25 d 3H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1c(Sc2cc(C)cc(C)c2)n(Cc2cc(Br)cc(Br)c2)c(=O)[nH]c1=O	ir: 9 6 6 6 5 5 5 5 5 6 6 8 6 9 5 6 5 7 6 5 6 5 5 5 5 5 6 5 8 13 64 10 7 6 6 6 5 5 5 6 5 5 5 6 5 4 5 7 6 5 6 9 7 0 28 0 9 12 6 8 13 9 7 8 6 19 26 18 10 10 7 6 9 9 13 7 6 6 5 5 11 6 5 5 6 5 5 5 7 10 12 11 12 15 7 7 6 6 6 6 7 6 5 5 6 5 5 5 6 6 9 17 7 8 7 7 10 6 5 6 6 6 10 9 10 11 11 11 13 14 6 6 6 5 6 7 7 5 5 5 5 6 10 9 7 6 5 6 5 5 5 6 22 15 5 7 6 19 24 9 9 7 7 46 7 4 5 6 5 4 5 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 5 5 5 6 6 6 7 6 5 7 7 7 6 14 10 18 26 18 12 8 8 8 8 5 5 5 5 5 5 5 6 6 5 5 5 5 5 5 5 5 6 100 11 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 96 96 s 1H \| 75 75 t 1H J 21 \| 75 74 dt 2H J 9 19 \| 72 71 s 3H \| 51 51 t 2H J 9 \| 26 25 q 2H J 74 \| 23 23 s 6H \| 12 11 t 3H J 74	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)N1C(=O)NC(C)=C(C#N)C1C1CCCCC1	ir: 3 2 3 9 4 6 4 9 8 3 1 4 20 3 2 2 2 1 1 2 3 3 1 2 6 3 2 2 4 8 9 4 3 10 11 7 2 3 19 21 13 22 24 6 11 3 2 3 2 1 2 3 2 2 2 2 2 1 1 2 2 1 4 3 2 2 2 4 3 3 3 5 3 2 10 2 2 1 2 2 2 2 2 2 1 1 3 2 1 1 3 4 3 2 2 2 1 2 3 2 1 2 4 5 1 2 3 4 3 5 6 8 24 24 9 8 3 3 4 3 1 3 7 3 3 3 4 4 2 3 2 17 13 5 3 2 13 3 2 1 1 2 2 1 1 2 2 1 1 12 26 4 8 35 23 3 3 5 22 100 3 4 2 1 2 3 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 0 12 3 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 2 3 3 3 4 4 3 4 5 9 8 5 4 3 2 2 2 2 2 1 2 2 1 1 2 2 1 1 1 2 1 2 5 4 3 2 10 59 29 13 6 5 4 2 3 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 93 93 s 1H \| 43 42 dq 1H J 10 84 \| 42 41 q 2H J 66 \| 24 23 dp 1H J 59 84 \| 21 21 d 3H J 11 \| 18 17 ddt 2H J 60 88 130 \| 16 15 m 1H \| 16 15 m 1H \| 15 13 m 7H \| 13 12 t 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CN(c2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)CCN1	ir: 3 2 2 5 4 5 8 2 1 1 0 1 2 1 0 1 2 1 1 2 3 1 6 4 11 22 16 6 6 3 2 5 2 4 3 11 7 12 21 8 5 1 2 3 4 4 3 5 5 9 6 7 16 15 47 30 9 10 5 7 1 2 1 2 2 1 3 2 2 5 4 9 1 4 2 2 1 0 2 1 1 0 2 1 0 2 3 2 1 1 5 4 5 3 8 6 2 3 5 3 1 3 2 2 1 2 5 11 11 2 5 18 7 4 3 3 3 9 11 4 2 3 10 5 2 2 3 3 4 8 10 4 1 5 3 1 2 3 2 2 3 3 1 1 1 4 20 100 5 42 19 12 11 3 10 3 39 4 2 1 1 2 12 15 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 3 2 1 1 2 1 1 2 3 17 5 6 8 7 4 9 2 2 1 1 1 0 0 1 1 0 1 1 3 2 5 42 13 4 2 2 2 4 4 43 4 3 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 98 97 s 1H \| 91 90 d 1H J 16 \| 81 80 d 1H J 18 \| 80 79 d 1H J 16 \| 71 71 dd 1H J 19 83 \| 70 70 d 1H J 83 \| 49 48 m 1H \| 36 36 dd 1H J 13 119 \| 35 33 m 3H \| 30 29 m 2H \| 30 30 s 5H \| 29 28 ddt 1H J 33 53 126 \| 23 22 dt 1H J 33 66 \| 21 20 m 2H \| 19 18 m 4H \| 17 16 m 2H \| 11 11 d 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCON=Cc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(Cl)cc1Cl	ir: 6 7 6 5 6 4 5 6 8 7 16 6 4 4 4 3 2 2 6 4 5 9 4 2 4 3 6 2 2 3 3 2 2 2 3 4 3 3 4 3 2 3 3 2 8 12 10 3 4 10 28 7 51 3 3 2 2 2 2 2 2 4 5 3 4 20 100 84 32 3 14 8 4 3 10 7 4 1 4 4 2 2 3 3 2 3 9 6 2 2 4 3 2 2 4 5 14 4 42 31 54 6 0 2 3 2 2 2 2 3 3 6 6 15 25 9 31 11 2 4 5 3 2 3 4 3 5 4 4 3 4 4 4 3 9 10 12 12 5 7 3 19 5 4 4 2 2 3 2 2 2 5 23 5 6 57 24 5 2 3 4 7 44 42 4 2 2 3 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 3 3 3 3 3 2 4 3 7 6 5 10 9 12 26 11 5 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 80 80 s 1H \| 78 78 s 1H \| 77 77 s 1H \| 63 62 q 1H J 14 \| 42 41 q 2H J 60 \| 33 33 s 3H \| 14 13 t 3H J 59	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCNC(=O)c1cccc(-c2cccc3sc(Cc4cccc(C(F)(F)F)c4)cc23)c1	ir: 8 4 5 3 2 4 2 3 2 2 1 1 2 3 3 2 3 2 3 2 2 1 2 3 2 14 4 4 2 2 5 8 8 4 6 2 9 6 51 60 10 13 17 3 3 20 37 21 8 5 2 1 3 7 3 1 2 2 1 1 1 2 1 1 2 3 1 10 9 4 3 2 6 4 1 1 2 6 6 3 5 5 2 1 1 2 1 1 1 3 5 4 2 2 3 2 2 6 21 23 8 2 0 2 2 1 0 1 2 2 2 4 9 31 3 4 10 3 2 5 11 8 6 3 3 2 12 9 6 3 2 2 5 2 1 1 1 3 12 21 17 10 4 16 17 8 18 55 8 4 3 2 8 6 3 3 2 2 2 3 1 1 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 2 2 2 3 1 2 2 2 3 3 6 8 5 14 100 25 22 3 1 2 3 2 1 2 2 1 1 2 2 1 1 2 3 2 2 3 3 5 12 20 16 3 1 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 t 1H J 21 \| 79 78 m 2H \| 78 77 m 2H \| 76 76 ddd 1H J 12 21 77 \| 76 75 m 1H \| 75 74 m 4H \| 74 73 m 1H \| 71 71 dtt 1H J 8 20 60 \| 43 42 q 2H J 9 \| 36 35 m 4H \| 34 34 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(CO)cc1N(C)c1ccnc(Cl)n1	ir: 2 5 5 4 4 2 5 2 2 3 3 1 1 3 11 3 1 2 3 3 2 3 2 5 3 3 4 1 2 3 2 2 4 14 10 21 25 9 4 2 2 3 12 47 8 11 3 2 2 2 4 6 10 12 7 2 2 2 1 1 2 2 5 2 3 3 2 6 4 10 6 6 27 5 6 3 5 7 2 9 5 10 10 6 19 10 59 27 13 11 5 7 5 6 2 4 4 2 1 1 2 1 1 1 2 4 1 2 2 2 2 2 2 8 2 5 4 2 1 1 3 3 4 7 8 2 2 4 2 4 7 5 5 4 6 50 10 3 3 2 4 21 47 9 4 3 3 7 10 19 10 13 4 4 3 5 8 14 100 19 6 4 16 4 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 3 1 1 2 1 1 2 3 3 3 7 6 10 34 35 14 3 2 2 3 3 22 6 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 82 d 1H J 44 \| 71 70 m 2H \| 68 68 dt 1H J 8 19 \| 67 66 d 1H J 44 \| 46 45 dt 2H J 8 56 \| 37 37 s 3H \| 25 25 t 1H J 56 \| 22 22 d 3H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=O)c1cccc(-c2ccc3oc(CCN4CCC[C@H]4C)cc3c2)c1	ir: 4 3 1 5 7 2 1 5 6 4 6 3 7 1 5 3 2 1 2 5 3 4 5 3 2 2 0 5 3 1 6 13 12 7 15 19 36 10 5 4 6 5 8 15 13 30 63 27 8 2 3 5 10 24 51 20 5 4 6 1 4 5 3 2 2 11 9 9 13 22 6 9 9 4 3 3 4 1 3 6 7 7 14 3 4 15 2 7 3 4 4 3 2 9 5 3 6 6 6 3 4 11 18 10 5 3 3 2 2 5 7 4 1 3 7 6 7 20 1 8 7 6 10 4 7 6 4 4 5 4 16 13 5 11 6 5 5 8 24 18 27 29 55 22 20 8 4 2 4 3 10 9 5 14 7 5 2 3 2 1 2 5 1 1 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 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 2 1 3 2 2 2 1 4 3 5 1 4 4 3 3 5 15 18 18 26 100 73 47 10 7 5 1 4 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 81 81 t 1H J 21 \| 79 78 ddd 1H J 12 21 79 \| 78 78 t 1H J 22 \| 78 77 ddd 1H J 13 22 82 \| 76 75 m 2H \| 75 75 d 1H J 72 \| 67 67 m 1H \| 30 29 m 1H \| 30 29 s 1H \| 29 29 d 1H J 75 \| 29 28 m 5H \| 26 26 m 1H \| 18 17 m 2H \| 17 16 m 1H \| 16 15 ddt 1H J 51 65 115 \| 12 12 t 3H J 76 \| 11 10 d 3H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(CC)N1CCC(CNc2ccc(Cl)cc2C(=O)Nc2ccc(C)cn2)CC1	ir: 1 2 3 4 4 6 3 2 2 3 2 4 3 6 6 3 3 3 2 5 5 5 4 7 10 14 9 7 3 4 7 6 21 9 9 10 12 4 2 5 7 5 6 23 35 14 7 3 6 5 4 2 11 32 24 11 6 4 4 3 2 0 3 3 4 2 2 6 2 6 9 4 3 2 2 3 1 2 4 2 2 2 4 5 3 2 3 2 4 3 4 3 2 2 2 1 1 3 10 7 2 12 5 4 2 1 4 3 3 8 5 3 2 2 2 2 5 6 5 4 3 4 6 9 8 7 2 4 5 5 4 8 4 3 5 5 8 7 14 4 2 2 2 1 3 15 6 13 52 26 22 20 44 100 4 21 8 7 2 4 13 4 7 25 4 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 3 2 2 1 2 2 2 3 5 4 9 7 22 12 10 7 3 2 1 1 2 2 1 1 2 2 2 1 2 4 2 2 3 5 3 13 18 65 94 25 9 8 2 3 5 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; 1HNMR: 98 98 s 1H \| 83 83 d 1H J 78 \| 81 81 m 1H \| 78 78 d 1H J 25 \| 76 76 m 1H \| 75 74 t 1H J 60 \| 73 72 dd 1H J 25 83 \| 70 69 d 1H J 82 \| 32 32 dd 2H J 44 60 \| 30 29 m 2H \| 27 26 m 3H \| 23 23 d 3H J 9 \| 19 18 m 3H \| 16 15 dtdd 4H J 43 67 85 93 \| 14 13 dqd 2H J 64 74 117 \| 9 8 td 6H J 15 74	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCSc1nc(-c2ccc(Cl)cc2Cl)cc2nccn12	ir: 2 3 3 3 4 3 3 3 3 3 3 4 3 3 5 3 3 3 4 4 4 4 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 4 3 3 7 11 6 5 9 5 3 3 3 3 4 10 33 9 4 5 4 13 6 6 5 9 5 6 6 7 6 5 7 4 3 3 3 3 3 4 6 14 3 3 3 3 7 3 3 5 4 4 6 3 3 3 3 10 5 4 7 3 3 3 3 3 4 5 17 7 17 8 5 4 5 3 10 6 12 13 8 6 8 11 3 5 4 3 4 4 4 3 3 3 3 3 3 3 3 3 4 4 4 3 4 3 3 3 3 3 3 10 4 0 6 3 3 3 3 3 3 3 3 3 6 3 3 2 3 3 4 3 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 3 3 3 2 3 3 4 3 3 4 4 3 3 4 7 8 5 6 4 3 7 11 9 1 100 10 40 42 9 4 3 6 3 2 4 4 3 2 3 3 3 2 3 4 3 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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: 77 77 d 1H J 31 \| 76 76 d 1H J 80 \| 76 75 m 2H \| 74 74 dd 1H J 21 80 \| 73 73 s 1H \| 31 31 q 2H J 55 \| 13 13 t 3H J 55	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1cc(F)ccc1-c1cnc2nc(COc3cccc(F)c3)cn2c1	ir: 2 1 2 1 0 1 1 2 1 1 2 2 1 2 2 9 3 5 1 4 1 3 5 3 8 9 0 1 1 2 1 1 3 0 1 1 1 1 1 1 1 0 0 1 1 4 13 8 3 0 1 1 1 0 25 5 4 2 1 2 2 4 4 4 6 10 10 10 11 9 5 6 1 1 1 1 1 1 3 1 2 4 3 2 5 6 13 23 25 17 10 5 4 2 3 2 1 1 2 1 5 28 3 3 8 2 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 3 5 3 2 1 1 0 1 1 1 1 1 1 0 1 15 31 9 2 2 2 2 1 0 2 19 1 8 12 8 33 8 3 1 1 3 17 2 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 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 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 1 1 2 1 1 2 2 2 2 4 1 13 100 23 5 18 23 5 6 10 30 6 4 3 6 3 1 2 2 1 0 1 1 1 1 1 1 1 1 0 1 0 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 95 d 1H J 14 \| 89 89 d 1H J 13 \| 80 79 q 1H J 8 \| 76 76 dd 1H J 50 80 \| 73 72 td 1H J 51 78 \| 71 70 m 2H \| 68 68 ddd 1H J 11 23 77 \| 68 67 dddd 1H J 13 22 79 102 \| 66 66 dt 1H J 22 121 \| 53 52 d 2H J 7 \| 49 48 dd 2H J 8 60 \| 38 38 t 1H J 59	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCc1ccc(Sc2ccccc2)c(N)c1	ir: 3 2 7 7 3 3 1 3 1 2 3 2 2 2 3 1 1 1 0 0 4 10 2 0 1 3 3 3 9 5 1 1 1 1 1 1 1 3 3 2 22 1 1 1 1 0 0 1 0 0 0 1 1 2 4 1 1 0 0 1 0 0 1 1 0 0 1 4 2 0 0 1 1 0 0 0 2 1 0 0 0 0 0 2 1 0 0 0 1 1 1 0 5 3 1 1 1 1 2 1 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 2 1 1 1 1 0 1 1 2 1 3 2 1 0 0 1 1 0 0 0 0 0 4 10 3 6 4 1 4 8 12 5 2 1 2 2 4 24 12 3 1 1 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 0 0 0 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 1 0 0 1 1 3 4 3 5 15 11 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 2 41 36 2 1 1 1 6 8 2 1 1 4 23 100 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; 1HNMR: 74 73 m 5H \| 72 71 m 2H \| 71 70 ddt 1H J 9 18 82 \| 68 67 dt 1H J 9 20 \| 59 59 t 1H J 56 \| 46 46 s 2H \| 43 42 dt 2H J 9 57 \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N=C(CC1(c2ccccc2)CCC2(CC1)OCCO2)NO	ir: 3 2 4 6 2 2 9 4 11 5 2 5 2 2 4 2 2 1 2 3 2 2 2 3 3 3 4 5 4 6 3 24 12 12 23 17 6 13 4 3 10 40 20 5 1 2 3 1 2 3 2 1 1 2 1 0 1 2 2 8 1 1 1 2 2 2 1 2 2 5 2 1 3 3 3 1 1 3 9 36 3 0 1 0 1 2 2 4 4 2 1 3 8 6 53 100 9 2 3 4 1 1 1 1 0 1 3 3 1 1 4 3 2 0 1 2 1 0 0 2 4 2 5 7 5 2 1 1 2 1 4 1 2 4 3 9 1 4 4 2 3 2 1 5 8 17 8 11 17 4 1 1 1 1 3 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 3 1 1 1 0 1 2 2 3 4 4 26 8 5 2 2 1 2 4 11 5 2 1 2 2 1 4 38 66 2 2 2 1 2 2 6 8 17 1 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 90 89 d 1H J 18 \| 83 82 d 1H J 16 \| 73 72 m 6H \| 71 70 s 1H \| 39 39 s 3H \| 28 27 s 2H \| 21 20 ddd 2H J 57 84 140 \| 20 19 ddd 2H J 56 81 148 \| 19 18 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@@H]1CC[C@@H](c2onc3c2CCCC3)CC1	ir: 1 1 3 5 5 7 14 9 15 10 4 6 3 7 2 2 2 8 10 5 1 1 2 1 1 1 1 2 1 4 7 3 1 1 1 1 1 3 2 1 1 1 2 1 1 2 2 0 2 4 5 1 2 3 6 5 9 10 1 0 1 2 1 4 4 2 2 3 7 6 4 2 2 1 1 2 2 1 1 0 1 1 0 0 1 1 2 2 1 1 2 1 1 3 3 2 4 3 19 12 4 3 2 4 3 9 26 33 18 10 24 30 36 15 8 16 8 11 7 8 20 13 7 6 4 2 4 2 3 2 2 3 3 5 5 6 3 2 2 3 4 3 11 100 61 15 7 4 3 1 1 8 43 2 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 2 1 1 2 1 1 1 2 3 3 3 4 7 6 8 4 7 8 6 5 16 26 24 18 3 2 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 37 36 s 2H \| 30 29 m 2H \| 28 27 m 1H \| 27 26 dddd 2H J 20 35 47 93 \| 24 23 tt 1H J 46 73 \| 21 20 dtdd 2H J 21 55 79 137 \| 20 16 m 11H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2ccc(N3CCC(N(C)C)C3)cc2c(-c2ccc(F)cc2)c1C(=O)C(F)(F)F	ir: 5 3 7 11 0 4 4 3 3 6 9 14 7 7 6 6 14 5 6 1 5 6 12 20 10 4 4 3 4 6 4 3 10 13 13 9 7 4 3 1 4 13 6 2 3 4 6 5 23 19 7 1 4 16 35 73 54 14 10 15 19 7 8 6 12 2 11 19 44 31 10 42 8 11 10 5 4 5 7 16 5 22 7 5 10 17 17 36 65 38 41 22 20 14 6 14 20 75 45 17 9 14 15 6 9 3 5 3 4 1 6 13 3 9 5 6 4 9 9 4 3 5 2 10 8 8 7 6 3 6 4 6 11 7 15 6 3 2 13 14 1 5 4 12 16 29 44 64 8 12 11 30 100 29 63 45 11 7 5 2 3 5 5 2 2 1 1 3 2 1 2 2 2 1 1 2 2 1 1 1 1 2 2 2 1 1 1 1 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 2 1 2 2 2 3 2 2 2 2 5 4 5 5 2 4 6 9 26 27 23 48 75 100 46 9 6 12 7 3 2 3 6 2 0 2 2 1 1 2 2 1 1 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 1 1 1 1 1 1 1 1; 1HNMR: 78 77 d 1H J 78 \| 76 75 m 2H \| 73 72 m 2H \| 70 69 dd 1H J 22 77 \| 68 68 d 1H J 21 \| 38 37 m 1H \| 35 34 m 2H \| 34 33 ddd 1H J 47 66 120 \| 30 30 dddt 1H J 19 32 42 59 \| 29 28 s 2H \| 23 23 d 6H J 14 \| 21 20 ddt 1H J 48 66 114 \| 18 17 ddt 1H J 49 66 112	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(CSc1cc(-c2c(Cl)cc3c4c(cccc24)COC3)nc(N)n1)C(=O)O	ir: 1 1 2 2 1 3 3 5 2 6 9 6 16 6 8 11 10 10 10 20 14 52 25 10 9 8 3 3 4 5 2 5 3 12 4 8 4 1 17 9 5 12 10 6 46 17 4 2 4 12 2 4 6 4 1 2 3 1 4 1 2 2 2 3 11 7 3 12 8 2 2 1 2 5 10 6 11 14 8 11 3 3 6 3 5 2 3 5 0 2 1 1 1 1 2 3 4 3 1 2 1 0 1 1 1 1 1 2 3 6 1 3 1 3 2 2 4 3 5 3 2 2 2 2 2 3 3 1 0 1 2 1 3 2 3 2 1 4 8 6 9 10 14 10 100 27 73 44 9 20 1 4 3 0 1 22 25 3 1 2 2 12 1 1 4 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 1 1 1 1 1 3 2 2 1 2 18 2 3 28 8 1 1 2 1 1 1 0 4 59 8 3 2 1 1 1 3 17 15 3 2 1 1 0 1 0 1 1 3 12 44 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; 1HNMR: 78 77 dd 1H J 13 79 \| 75 74 m 2H \| 73 73 s 1H \| 73 72 dq 1H J 10 77 \| 62 61 s 2H \| 49 48 m 4H \| 36 35 dd 1H J 68 152 \| 33 33 dd 1H J 68 150 \| 29 28 h 1H J 69 \| 13 12 d 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)Cc1csc(C=NO)n1	ir: 2 12 6 4 11 2 7 7 2 2 1 2 4 2 1 1 1 1 1 5 10 2 3 1 0 0 1 0 0 1 1 1 0 1 1 4 5 2 3 3 2 15 17 13 4 3 2 1 2 5 18 23 8 3 1 1 0 1 2 15 9 13 34 11 11 7 19 19 2 1 1 6 6 3 10 14 40 14 3 4 4 3 1 0 1 1 1 1 1 3 1 2 4 8 8 6 18 35 31 2 1 1 1 0 1 7 26 20 2 1 2 1 4 5 37 6 0 2 7 27 20 8 9 7 17 28 11 5 7 10 31 12 3 2 1 2 1 1 3 2 12 3 2 1 0 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 1 1 3 9 9 4 3 2 3 7 5 1 2 4 9 16 53 58 24 8 100 33 2 5 4 1 0 4 18 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; 1HNMR: 94 94 s 1H \| 84 83 s 1H \| 71 71 d 1H J 9 \| 26 25 d 2H J 8 \| 9 9 s 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Cn1c(N2CCN(C=O)[C@H](C)C2)nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc21	ir: 3 9 6 8 9 5 4 4 3 6 2 4 5 3 5 4 4 4 5 7 20 4 11 4 3 3 4 5 11 3 5 4 2 4 3 2 4 4 7 4 4 3 3 3 4 5 3 4 3 4 4 6 16 24 25 15 10 9 7 9 24 11 7 4 4 5 3 3 14 3 3 17 11 4 3 8 17 4 4 14 5 5 7 4 8 4 21 4 3 4 6 5 6 15 7 15 12 38 16 12 20 16 17 6 6 8 9 21 67 80 21 14 0 18 38 21 14 38 21 15 6 24 21 29 9 23 10 11 8 13 24 6 12 6 11 4 3 2 5 5 4 4 3 3 2 3 3 2 7 5 3 4 4 8 18 43 19 10 6 5 12 3 2 2 3 7 7 2 2 3 3 4 7 12 2 1 2 2 2 2 2 2 2 1 2 2 2 2 6 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 3 3 2 2 3 2 3 2 3 4 13 12 10 9 6 13 16 18 29 17 12 26 11 22 47 100 13 21 7 21 21 19 5 6 3 2 2 2 2 2 2 2 2 2 2 3 10 10 4 2 2 2 2 1 1 2 3 1 8 80 6 3 3 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; 1HNMR: 89 89 s 2H \| 79 78 dt 1H J 9 18 \| 66 66 s 2H \| 42 41 d 2H J 70 \| 40 36 m 17H \| 23 21 dp 1H J 67 133 \| 13 13 d 3H J 79 \| 8 8 d 5H J 65	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CC2CCCN2C)cc1OC	ir: 2 3 5 3 3 2 4 2 6 5 3 2 2 4 4 3 5 4 4 3 7 5 3 6 15 2 2 2 1 1 1 1 1 1 1 4 4 6 2 2 2 3 3 10 6 3 1 1 1 1 1 2 3 3 53 12 8 7 10 5 6 10 12 20 7 2 11 22 29 7 6 4 8 11 25 7 3 2 8 4 10 43 28 4 4 7 7 4 6 15 32 11 6 9 3 6 6 3 3 3 5 5 2 13 14 7 3 3 2 3 8 6 4 4 4 4 3 5 5 3 8 3 8 4 8 9 7 3 3 4 12 4 3 2 2 1 2 1 1 1 1 1 4 27 0 2 2 0 2 28 9 5 5 17 4 2 1 1 1 1 1 4 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 4 4 4 3 3 3 3 4 4 8 10 15 10 50 100 22 11 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 1 1 1; 1HNMR: 68 67 m 2H \| 67 66 dt 1H J 8 18 \| 39 38 d 6H J 22 \| 32 32 m 1H \| 29 29 ddt 1H J 8 64 123 \| 28 27 pq 1H J 15 51 \| 27 26 ddt 1H J 9 65 124 \| 24 24 d 3H J 15 \| 24 23 dddd 1H J 8 24 54 117 \| 21 20 m 1H \| 19 18 m 1H \| 18 17 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(F)c1)C(=O)O	ir: 3 5 5 1 3 2 2 3 1 13 1 2 1 3 10 1 5 4 3 3 17 100 3 3 2 5 3 4 5 8 80 12 15 4 20 5 4 1 1 1 2 0 0 0 1 0 0 1 0 0 0 1 1 0 4 11 1 1 2 1 1 5 10 0 1 1 1 0 1 2 1 4 4 2 1 2 2 18 4 41 2 2 1 3 2 2 9 2 1 2 3 21 30 2 2 9 4 1 1 2 5 5 1 0 1 1 4 4 3 3 1 1 1 1 1 0 3 5 2 9 8 8 8 28 2 2 2 2 4 4 4 2 1 1 1 1 0 1 2 0 0 3 66 16 8 18 12 3 3 35 13 1 1 5 1 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 2 1 1 1 0 1 1 1 1 2 2 4 3 14 6 19 11 7 7 3 1 1 5 3 75 38 12 1 1 1 1 1 1 0 0 0 1 1 4 3 15 30 14 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 95 s 1H \| 69 68 m 2H \| 68 67 m 2H \| 60 60 d 1H J 35 \| 43 42 dt 1H J 70 82 \| 33 32 ddt 1H J 8 68 138 \| 30 30 ddt 1H J 8 68 138 \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=O)Oc1cccc(CC)c1	ir: 3 5 5 6 6 5 5 4 4 4 3 2 3 3 4 3 4 4 4 2 3 5 4 2 2 3 3 2 6 6 11 12 10 4 3 3 7 8 3 2 2 3 5 5 11 19 20 37 32 20 8 3 3 4 2 2 2 3 2 3 4 4 4 5 5 13 24 25 13 7 6 17 7 3 2 2 3 4 4 6 5 5 4 2 3 3 2 4 24 16 6 6 5 4 4 7 7 5 4 6 6 3 2 2 3 2 2 3 4 4 3 3 7 8 7 15 11 13 11 5 6 9 9 7 6 4 3 8 11 7 10 7 8 4 2 4 4 2 2 7 37 42 3 47 49 98 12 0 3 5 4 3 29 6 9 23 19 3 3 2 37 8 2 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 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 3 3 3 3 4 3 4 7 4 4 4 6 5 5 4 4 6 12 19 17 90 100 68 7 6 4 6 3 7 4 4 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 73 72 m 2H \| 71 70 dt 1H J 22 73 \| 70 70 tq 1H J 8 16 \| 26 26 m 4H \| 13 12 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)Nc1cccc(Oc2ccc(NC(=O)N3CCCC3)nc2)c1	ir: 5 4 4 4 4 5 1 2 4 10 5 4 2 1 1 1 1 3 1 1 2 4 3 6 7 3 7 4 6 7 6 10 15 14 8 2 5 9 24 17 42 17 16 14 6 6 8 38 40 5 2 1 2 10 11 25 5 4 2 2 3 3 3 7 2 3 10 14 10 9 7 2 1 0 1 1 1 1 2 1 3 2 1 1 1 1 1 1 9 25 7 12 9 8 3 1 3 2 1 2 3 2 2 6 13 10 2 3 6 8 5 2 4 5 1 2 2 1 1 3 3 3 5 2 3 1 1 8 1 3 5 2 1 1 2 1 1 1 3 2 5 7 4 4 23 37 8 6 17 94 52 17 66 12 11 11 15 11 1 1 12 52 12 5 2 1 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 2 2 1 1 1 1 2 3 2 1 2 3 3 13 15 6 9 84 27 12 5 2 2 1 1 1 1 2 2 2 1 2 1 2 3 1 3 3 2 6 15 57 100 26 6 3 2 2 1 1 0 2 1 0 1 1 0 0 1 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 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 0 0 0 0 0 0 0 0 0 0; 1HNMR: 93 93 s 1H \| 80 80 d 1H J 20 \| 74 74 ddd 1H J 12 21 79 \| 73 73 d 1H J 84 \| 73 72 t 1H J 79 \| 72 72 m 2H \| 71 71 s 1H \| 66 66 ddd 1H J 12 21 77 \| 36 35 ddt 5H J 16 34 46 \| 20 19 qdd 4H J 9 26 41 \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1COc2cccc(C(=O)O)c2N1	ir: 5 5 5 5 5 5 6 5 5 5 5 6 5 6 7 7 6 8 7 6 6 8 22 22 7 5 5 6 6 6 5 5 5 6 7 9 10 6 5 6 8 18 6 5 5 6 6 7 15 6 5 6 6 5 7 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 5 23 24 6 6 5 5 5 5 5 5 6 7 6 5 6 6 5 5 6 6 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 8 6 6 5 5 5 5 5 5 5 5 5 5 6 6 5 5 5 6 6 5 5 6 6 5 5 5 6 16 11 6 6 4 5 5 6 8 9 9 6 5 5 12 27 17 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 6 5 5 5 6 5 4 5 7 6 5 7 10 8 9 6 8 5 1 6 13 58 100 16 0 7 8 4 3 6 7 4 4 6 6 7 20 15 6 5 5 6 6 5 5 6 5 5 5 6 5 5 5 6 5 5 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 7 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 98 98 s 1H \| 79 78 dd 1H J 18 82 \| 71 71 t 1H J 83 \| 70 70 dd 1H J 18 84 \| 47 46 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c[nH]c2nc(Cl)nc(Cl)c12	ir: 3 2 1 6 3 1 1 2 3 2 1 4 4 4 0 3 4 2 1 30 14 2 13 3 3 2 2 2 21 15 1 3 3 3 2 3 3 2 3 11 73 59 9 3 3 3 2 2 2 1 2 3 3 1 2 6 3 1 2 2 2 1 3 3 2 2 3 4 3 2 5 5 2 1 3 2 2 1 2 2 1 1 2 2 3 1 2 2 1 1 2 2 1 1 3 2 1 1 3 3 1 2 4 2 0 2 7 26 41 4 0 2 2 2 2 2 2 8 13 6 2 2 4 10 9 3 3 3 5 3 3 2 1 2 2 2 1 11 8 2 1 2 3 18 20 3 3 1 17 11 3 0 1 46 82 100 2 1 1 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 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 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 4 24 15 3 2 2 2 2 2 2 2 2 2 2 2 2 3 4 3 2 2 3 6 2 9 9 3 3 4 5 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 92 92 d 1H J 71 \| 70 69 m 1H \| 25 25 d 3H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1sc2c(Cl)cccc2c1N	ir: 3 3 5 4 5 4 3 3 3 2 2 2 3 3 2 4 7 7 7 5 2 2 2 2 2 3 4 8 9 13 10 8 5 6 7 18 19 3 4 4 4 3 3 3 3 3 11 10 6 1 2 2 2 1 1 2 2 2 2 2 2 2 2 2 2 1 1 2 1 1 2 2 2 2 2 4 2 2 2 3 3 7 3 3 2 2 2 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 4 4 1 2 2 2 1 1 1 1 2 4 3 2 1 1 2 1 1 1 2 1 2 2 10 8 3 3 2 5 8 6 27 7 3 3 3 2 2 3 5 5 12 30 17 6 6 2 2 2 2 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 3 2 7 12 6 4 2 2 2 2 2 2 2 2 2 2 2 2 1 2 3 29 24 3 2 2 1 1 2 3 1 1 13 100 75 12 0 0 3 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 dd 1H J 12 76 \| 75 74 dd 1H J 11 77 \| 73 72 t 1H J 77 \| 70 70 s 2H \| 40 40 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCN(CCO)Cc1cc(Br)cc(Br)c1O	ir: 5 3 3 4 8 4 12 9 5 3 2 2 2 1 2 2 1 1 1 2 3 1 1 1 3 1 1 1 0 1 2 1 1 1 1 1 1 1 1 2 3 1 1 0 2 1 1 1 1 1 6 2 1 1 1 1 1 1 13 1 4 2 5 6 1 5 2 2 1 2 0 1 1 1 0 0 1 1 1 1 4 8 12 18 13 9 54 54 34 4 3 7 2 3 3 2 1 1 5 1 1 3 12 6 3 2 2 2 1 0 1 1 0 1 1 0 0 0 0 1 3 1 1 1 1 2 1 1 1 1 1 1 0 2 1 7 10 2 1 0 0 0 0 0 0 0 1 2 0 1 0 0 0 1 1 0 0 0 0 1 0 0 0 0 1 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 1 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 1 1 1 0 0 1 0 0 1 1 3 3 1 3 3 7 1 3 1 1 16 100 52 18 4 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 d 1H J 22 \| 74 74 dt 1H J 9 20 \| 56 55 s 1H \| 39 38 t 2H J 63 \| 38 37 d 2H J 7 \| 37 36 dt 4H J 54 64 \| 28 27 t 4H J 55	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)Cc1c(C)c(NC=O)c(C)c(C)c1O	ir: 2 4 4 1 7 2 1 1 5 1 1 1 1 1 2 1 1 2 2 1 2 6 6 14 3 3 1 1 1 2 1 1 1 1 3 4 1 1 1 0 1 1 4 2 2 1 1 0 1 2 2 0 1 1 1 1 1 2 2 1 1 1 1 1 1 2 2 3 5 3 5 7 5 3 5 5 11 3 2 1 1 2 1 2 4 7 10 6 18 22 5 2 2 1 0 0 1 1 1 1 1 1 1 3 9 3 3 8 1 1 2 2 0 1 1 1 2 2 3 4 3 1 2 1 3 3 4 3 1 1 1 1 2 2 0 1 2 1 4 4 6 7 13 7 2 1 3 3 1 1 0 1 1 0 3 3 5 4 2 1 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 1 1 1 1 1 1 0 0 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 2 2 2 1 2 7 2 1 1 1 1 1 2 4 2 7 100 64 3 1 0 1 0 0 1 1 1 1 1 2 43 8 4 5 7 6 3 1 1 0 0 0 1 0 0 1 0 0 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 d 1H J 70 \| 84 83 d 1H J 70 \| 57 56 s 1H \| 49 49 dq 1H J 15 31 \| 47 47 dq 1H J 10 20 \| 34 34 t 2H J 15 \| 22 22 s 3H \| 22 21 s 3H \| 21 21 s 3H \| 18 18 dd 3H J 7 15	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2c(N)nc3cc(OCc4ccoc4)ccc3c2n1CC(C)C	ir: 1 2 1 1 2 2 2 2 1 8 4 4 0 2 4 1 1 2 1 1 2 2 2 2 2 4 1 1 2 3 3 5 3 6 5 4 3 3 5 2 2 2 2 2 2 1 3 1 1 3 4 3 2 15 12 4 4 4 2 5 3 5 3 2 2 9 5 8 5 3 3 1 3 1 1 4 4 4 3 3 1 1 1 1 1 1 1 2 2 1 1 1 5 3 3 4 6 9 6 2 2 3 3 20 7 12 3 3 2 4 6 4 2 2 1 2 2 4 5 4 5 6 2 6 3 3 6 2 2 5 8 6 3 6 1 1 1 0 1 1 1 2 5 6 2 3 3 4 3 2 4 13 3 1 1 2 1 5 2 1 1 0 1 1 2 4 17 21 18 5 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 1 1 1 3 3 3 1 2 2 2 2 3 2 1 2 8 6 7 25 15 39 40 22 31 7 4 5 5 2 1 4 4 3 1 3 4 13 3 2 1 1 1 2 8 100 4 2 1 1 1 2 2 1 1 2 1 2 1 3 1 2 1 2 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 d 1H J 84 \| 75 74 dq 1H J 9 18 \| 74 74 t 1H J 15 \| 73 73 d 1H J 21 \| 69 69 dd 1H J 22 84 \| 64 64 dq 1H J 9 16 \| 63 63 s 2H \| 51 51 d 2H J 9 \| 41 41 d 2H J 59 \| 25 25 s 2H \| 21 20 m 1H \| 8 8 d 6H J 65	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1noc(NC(=O)N2CCN(c3cc(-c4ccccc4)ncn3)CC2)c1C	ir: 3 3 2 3 2 2 2 4 9 2 1 1 1 2 2 1 2 1 1 3 1 1 1 2 0 1 1 0 2 4 4 1 3 7 11 30 33 9 1 6 6 13 5 7 7 9 17 38 11 0 2 3 1 4 1 2 2 2 1 2 2 5 3 7 8 7 7 6 3 2 3 2 1 1 2 13 2 3 3 2 2 1 1 1 2 3 10 5 3 2 3 1 1 1 1 1 1 1 1 1 1 2 3 2 1 1 1 1 1 2 2 3 2 2 3 2 2 3 5 2 1 4 2 4 1 4 1 2 2 2 1 4 2 5 3 2 2 2 4 1 4 7 15 44 25 6 2 1 1 1 2 5 100 3 3 4 17 38 13 3 1 3 3 10 16 1 1 1 1 1 1 0 1 1 0 1 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 1 1 0 0 1 2 1 1 1 1 1 1 1 2 2 4 6 6 20 11 13 3 2 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 6 14 11 7 4 3 3 1 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 86 86 d 1H J 14 \| 84 84 s 1H \| 81 81 m 2H \| 75 74 m 2H \| 74 74 m 1H \| 71 70 d 1H J 14 \| 37 36 m 4H \| 36 35 m 4H \| 22 22 s 2H \| 20 20 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1	ir: 4 9 5 3 2 1 4 2 2 4 10 2 2 2 2 4 1 5 3 4 11 17 10 2 3 11 21 11 11 6 5 2 7 4 3 3 2 5 11 37 11 6 3 5 4 4 1 1 2 2 1 0 1 2 1 2 2 2 1 0 1 8 3 0 1 2 3 16 3 2 1 1 1 1 1 0 1 1 1 0 1 3 1 1 3 4 1 0 1 1 0 0 2 1 1 2 1 4 2 44 9 1 4 3 5 4 5 3 4 9 11 9 15 7 3 3 4 5 3 9 8 13 5 5 6 4 2 4 8 12 45 25 7 5 3 7 2 1 1 2 4 1 5 2 9 41 100 56 16 14 6 4 1 1 2 1 1 1 1 1 1 0 1 2 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 2 2 1 2 3 3 2 2 2 1 4 3 4 6 11 6 6 10 17 3 2 1 1 1 1 1 1 1 1 1 1 2 1 3 2 1 1 3 5 13 11 15 41 14 6 7 2 2 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 81 80 d 2H J 22 \| 79 79 t 1H J 23 \| 77 76 t 1H J 61 \| 48 47 t 1H J 60 \| 34 31 m 3H \| 31 30 dt 1H J 57 128 \| 17 15 m 7H \| 14 14 s 7H \| 14 13 dd 2H J 10 52 \| 14 13 m 2H \| 13 13 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN1C(=O)C(F)(F)CN(C2CCCC2)c2nc(Nc3ccc(C(=O)NC)cc3OC)ncc21	ir: 3 2 2 3 3 2 4 2 1 2 2 2 2 3 2 2 2 2 3 1 4 7 4 5 4 4 6 7 7 7 9 5 8 9 9 6 3 7 16 40 24 6 7 33 7 4 3 6 1 3 2 2 2 2 4 5 3 6 2 4 1 1 2 3 2 2 5 7 7 1 2 2 1 1 2 2 2 1 2 2 1 1 1 1 1 1 3 4 3 2 3 3 2 4 5 6 6 8 4 6 2 3 8 3 1 6 5 4 2 4 5 8 2 3 4 2 1 2 4 2 2 2 2 5 14 13 6 3 1 2 4 2 1 4 6 24 1 16 8 4 3 6 9 10 6 44 5 100 3 3 16 53 20 7 4 3 5 2 3 5 14 3 2 0 2 3 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 2 1 1 1 2 2 1 2 5 8 3 2 11 7 2 2 2 1 1 1 1 1 0 1 1 1 1 1 2 1 2 1 3 3 5 11 21 6 7 24 37 9 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 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; 1HNMR: 87 87 s 1H \| 81 81 s 1H \| 76 76 dd 1H J 20 82 \| 76 75 d 1H J 83 \| 74 74 d 1H J 19 \| 66 65 q 1H J 50 \| 47 46 t 2H J 128 \| 41 41 p 1H J 46 \| 40 39 q 2H J 72 \| 39 39 s 3H \| 30 29 d 3H J 51 \| 22 22 m 1H \| 20 19 m 2H \| 18 17 m 2H \| 17 16 m 2H \| 13 12 t 3H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)SCc1cccc(N)c1C2=O	ir: 2 3 5 3 1 3 4 10 8 4 6 9 7 1 2 8 19 14 7 5 3 3 10 4 2 4 3 3 2 5 4 2 2 2 2 3 5 2 3 6 2 1 4 6 1 2 1 3 28 8 3 1 4 4 8 14 3 2 2 1 2 2 1 2 7 3 5 18 13 3 1 1 2 2 1 0 1 1 1 2 2 6 5 1 3 1 2 1 1 1 1 1 1 3 5 1 1 1 2 2 2 1 0 1 1 1 2 2 2 1 1 4 7 2 0 1 1 1 1 7 6 2 1 1 3 2 1 2 1 2 13 4 1 1 1 1 1 1 1 5 4 0 1 1 2 8 5 1 1 2 4 23 16 39 17 3 3 3 4 27 7 5 10 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 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 1 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 4 5 4 18 25 28 1 1 3 1 0 1 1 1 1 1 1 1 0 1 2 1 100 70 0 2 2 1 1 1 1 2 5 38 71 40 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 77 77 d 1H J 80 \| 73 72 m 1H \| 72 71 dq 1H J 10 78 \| 69 69 m 3H \| 66 65 s 2H \| 42 42 d 2H J 9 \| 39 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCOc1ccc(CN)nc1O	ir: 4 5 10 18 9 3 9 37 38 16 14 4 7 4 8 2 2 3 4 3 2 4 3 4 3 3 3 2 2 2 2 2 4 2 3 6 7 12 18 6 3 5 6 1 6 3 4 2 22 5 3 6 3 10 11 7 8 36 5 9 9 6 6 9 5 2 4 4 3 2 5 5 6 17 20 30 15 31 8 5 10 5 3 3 3 2 2 3 3 3 4 4 8 7 40 48 9 4 2 2 2 3 3 2 3 3 4 4 3 3 2 2 3 3 1 3 4 3 4 6 5 3 4 6 9 5 13 11 9 6 8 10 22 19 7 7 10 12 14 9 4 2 2 2 3 1 9 3 3 4 4 10 8 2 2 2 2 2 3 4 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 2 2 2 2 3 3 3 2 3 5 5 5 18 4 3 3 4 3 4 4 76 4 2 7 5 8 17 36 12 7 6 19 13 2 100 33 0 9 10 1 1 4 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 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; 1HNMR: 72 71 d 1H J 82 \| 70 70 dt 1H J 9 82 \| 42 41 t 2H J 53 \| 39 39 td 2H J 8 63 \| 19 18 m 5H \| 11 11 t 3H J 78	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(=NO)C1=CSCCO1	ir: 18 8 10 35 40 29 37 17 7 8 15 15 13 6 7 2 4 3 4 3 5 4 3 2 2 2 3 5 5 8 5 4 5 11 7 1 2 2 2 2 3 6 4 4 1 4 3 3 3 3 3 1 2 2 1 1 1 2 1 1 2 2 3 3 4 2 2 3 6 8 9 6 6 5 11 20 15 5 19 41 9 5 2 2 2 2 1 1 2 2 1 1 2 3 1 3 3 4 7 18 11 14 1 4 6 10 6 8 7 3 1 1 3 3 0 3 4 3 3 3 1 7 19 19 8 5 4 4 5 1 1 2 3 2 14 12 23 3 1 1 1 1 1 1 1 0 0 1 1 0 1 1 2 1 6 3 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 3 2 2 4 3 4 1 1 3 3 3 15 21 11 5 6 6 2 2 3 4 26 40 100 2 6 2 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 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: 70 69 t 1H J 9 \| 45 44 m 2H \| 44 43 q 2H J 71 \| 32 32 td 2H J 9 43 \| 11 10 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCn1nc(-c2cccs2)ccc1=O	ir: 6 4 1 3 26 25 11 5 5 4 2 4 6 8 6 17 11 9 12 12 17 6 7 9 8 5 8 11 11 4 2 4 4 1 2 4 4 6 6 10 7 3 4 10 5 3 4 7 5 4 3 5 4 4 16 28 17 61 52 70 14 8 4 5 3 2 3 8 2 1 6 6 24 7 11 8 5 8 6 4 5 10 17 10 4 4 7 5 9 3 11 5 5 20 23 9 2 3 5 3 1 2 5 4 5 8 14 6 2 3 14 7 1 4 7 4 12 7 8 5 3 4 4 2 1 3 4 2 1 5 5 7 7 7 6 4 2 4 4 7 9 6 23 28 4 7 4 5 23 100 15 10 6 5 4 0 2 4 3 1 2 13 17 1 2 4 2 0 2 4 2 0 2 4 2 1 4 5 2 0 3 4 2 0 3 4 2 0 3 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 4 3 1 2 4 3 1 2 3 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 4 3 1 1 3 3 1 1 3 3 1 2 4 3 1 3 5 3 2 2 5 3 2 9 18 20 31 19 15 18 31 31 7 4 1 4 4 2 0 2 3 2 1 3 6 5 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 4 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 77 76 d 1H J 86 \| 76 76 dd 1H J 18 53 \| 74 74 dd 1H J 18 59 \| 72 72 m 1H \| 69 69 d 1H J 86 \| 49 49 d 2H J 24 \| 27 27 t 1H J 25	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc(Nc2ccc(C(=O)O)c(Cl)c2)sc1C(=O)c1c(F)cccc1F	ir: 20 11 14 14 7 18 13 4 5 9 9 13 3 30 17 11 13 20 9 9 17 14 26 15 9 5 14 4 4 1 2 5 5 1 4 4 4 3 5 3 5 0 3 4 4 1 10 39 5 4 4 4 7 3 8 1 3 3 3 5 2 2 2 3 3 2 3 25 10 3 3 6 5 7 8 6 16 13 20 20 11 9 9 3 6 8 5 4 4 3 4 5 6 5 7 4 2 3 5 3 2 2 3 3 3 4 18 7 5 5 2 1 1 2 2 2 2 3 2 3 5 8 5 2 1 5 13 11 5 1 2 2 2 7 12 4 4 4 5 13 6 15 10 5 4 8 12 11 44 100 23 23 30 12 26 12 9 6 3 2 2 2 5 18 3 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 2 1 2 2 1 1 1 2 1 1 1 2 2 0 1 3 6 5 7 32 12 3 3 2 2 2 3 5 14 40 15 0 5 4 2 3 4 6 14 2 4 3 3 19 63 36 6 2 9 12 15 4 4 3 2 2 2 2 1 2 3 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 93 93 s 1H \| 81 81 s 2H \| 78 78 d 1H J 84 \| 76 75 m 2H \| 72 72 m 2H \| 71 70 dd 1H J 22 84	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CCO[C@@H]2CCCC[C@H]2N)cc1OC	ir: 0 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 3 2 1 1 0 0 1 1 1 0 0 0 0 0 1 0 0 1 1 0 0 0 1 1 1 0 1 4 2 3 7 3 3 2 1 4 3 24 3 3 1 3 3 4 9 6 3 13 3 5 6 7 4 2 3 2 2 1 1 8 1 1 1 1 3 2 2 3 1 1 1 1 0 0 0 0 1 1 1 1 0 0 0 0 1 1 1 1 1 2 3 0 2 2 2 0 2 1 1 2 3 3 3 4 2 2 3 2 3 4 10 18 16 3 1 1 0 1 0 1 3 0 0 0 0 0 8 2 1 2 1 2 1 1 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 3 1 1 1 1 1 1 1 1 2 4 5 5 5 5 2 1 1 1 1 0 0 0 1 2 3 7 9 9 5 3 5 3 3 12 100 46 8 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 68 67 m 2H \| 67 67 dt 1H J 10 17 \| 39 38 d 6H J 22 \| 38 37 dt 1H J 63 116 \| 36 36 dt 1H J 63 115 \| 35 34 d 2H J 71 \| 34 33 td 1H J 26 56 \| 30 28 m 3H \| 18 13 m 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2c(cc1Br)C(C)(C)CC(O)C2(C)C	ir: 2 3 5 6 6 2 2 4 2 3 1 2 1 2 3 3 3 2 3 2 1 1 2 1 2 1 1 1 1 3 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 2 1 1 1 2 0 2 3 10 1 1 1 2 2 2 3 2 3 7 14 25 22 16 14 14 13 12 4 4 3 4 2 3 3 2 3 6 10 12 14 21 41 95 47 16 6 17 10 3 4 4 8 4 4 3 2 1 1 2 2 0 2 2 2 6 5 4 2 1 2 4 4 4 5 3 4 3 2 4 4 5 5 3 6 4 8 7 4 7 3 2 1 1 1 1 5 1 1 1 0 1 1 1 0 1 1 1 1 7 24 6 1 1 1 1 1 2 2 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 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 2 1 3 4 1 2 4 5 10 7 5 4 10 10 8 9 9 18 12 14 8 24 16 11 9 8 12 65 100 38 14 8 5 5 2 4 3 2 4 2 4 6 2 3 4 3 3 3 3 2 2 3 1 2 2 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 74 73 s 1H \| 70 70 d 1H J 7 \| 39 38 dtq 1H J 15 48 81 \| 36 35 d 1H J 53 \| 24 24 s 3H \| 22 21 dd 1H J 65 136 \| 20 19 dd 1H J 66 136 \| 15 15 d 3H J 14 \| 15 14 d 3H J 14 \| 14 14 s 3H \| 13 13 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1cccc2[nH]c(C3CCc4ccccc4N3)nc12	ir: 1 3 13 3 5 13 1 3 1 1 2 9 2 6 15 2 6 1 14 3 3 2 1 6 3 8 5 2 3 2 1 1 1 4 25 4 1 1 1 0 1 4 17 21 3 1 1 3 3 2 1 2 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 4 2 3 0 1 1 1 3 1 1 1 1 1 3 1 1 2 2 0 1 2 6 10 2 2 3 2 2 9 1 1 1 7 4 2 6 1 1 1 3 1 2 2 1 2 5 2 1 1 2 1 1 1 1 2 2 5 10 41 5 12 2 3 4 25 3 12 16 2 2 2 3 4 1 10 8 3 4 1 1 1 3 100 12 3 25 1 3 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 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 2 3 5 5 17 8 5 1 1 2 1 1 1 1 1 1 1 1 2 1 1 3 16 2 1 3 4 26 23 25 31 26 4 2 3 62 1 2 2 0 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 92 92 s 1H \| 79 79 s 2H \| 78 78 dd 1H J 13 86 \| 77 76 dd 1H J 12 91 \| 74 74 t 1H J 88 \| 71 70 m 2H \| 68 67 dd 1H J 14 80 \| 67 66 td 1H J 15 77 \| 62 61 d 1H J 60 \| 52 52 dt 1H J 37 60 \| 31 30 dddd 1H J 9 66 92 156 \| 30 29 m 1H \| 25 24 dddd 1H J 37 66 92 146 \| 22 21 dddd 1H J 37 66 92 147	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)n1cc(F)c(N)nc1=O	ir: 7 5 1 8 10 15 5 9 6 5 8 5 7 5 4 8 6 3 2 5 6 4 4 9 13 7 5 8 5 4 5 5 4 4 3 4 4 2 3 5 4 3 4 6 5 5 19 52 37 19 10 9 5 1 3 6 4 1 4 6 3 1 5 8 3 1 4 5 2 2 4 5 3 3 4 8 5 5 6 4 2 1 4 4 1 2 4 4 1 1 4 4 1 3 11 10 3 2 4 3 2 5 7 3 2 3 4 3 1 3 5 4 3 4 6 3 1 4 5 3 3 4 5 2 1 4 5 3 2 4 5 5 12 12 8 3 3 3 4 6 13 7 8 3 3 4 4 4 6 9 8 40 100 83 37 15 8 8 5 2 3 6 4 1 3 8 5 2 3 5 3 0 3 5 2 0 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 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 5 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 4 3 1 2 4 3 1 2 4 3 1 2 6 3 1 3 4 3 1 3 5 4 1 4 6 4 1 3 5 3 2 6 10 3 1 3 4 2 1 3 4 2 1 3 5 9 12 43 5 2 1 4 4 1 1 5 6 1 16 71 69 10 4 2 3 4 3 2 3 2 3 3 3 3 2 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 4 2 1; 1HNMR: 79 78 d 1H J 75 \| 75 75 d 2H J 33 \| 42 41 q 2H J 65 \| 13 12 t 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cccc(Nc2ccc3c(c2)OCc2ccccc2C3=O)c1	ir: 44 32 9 16 6 19 8 5 6 7 3 27 25 7 6 7 5 7 5 3 2 4 3 12 4 4 3 7 5 5 3 3 4 1 2 5 2 1 2 3 4 5 35 6 6 19 7 40 17 5 1 2 3 3 3 2 3 5 4 2 4 2 1 2 6 10 19 26 3 3 9 2 1 1 2 2 3 1 3 4 3 9 23 9 1 1 1 1 2 8 5 2 1 5 4 1 1 1 1 1 2 2 6 6 3 2 11 2 2 4 6 2 1 1 2 1 0 1 1 1 2 4 5 7 5 11 12 2 2 2 2 1 16 1 0 1 3 25 2 0 0 5 4 11 8 8 2 3 12 1 6 4 7 37 34 23 21 14 59 14 2 1 11 7 9 100 5 1 0 1 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 0 0 0 0 1 0 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 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 3 2 2 2 6 9 28 68 32 11 2 4 5 2 3 2 1 1 4 2 1 1 2 2 1 9 30 4 8 1 4 28 33 24 4 4 1 12 49 3 2 2 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 0 0 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; 1HNMR: 79 79 m 1H \| 75 75 m 1H \| 75 74 m 3H \| 72 72 t 1H J 79 \| 70 69 dd 1H J 20 84 \| 68 68 d 1H J 22 \| 65 64 ddd 1H J 12 22 77 \| 63 62 ddd 1H J 11 22 80 \| 62 62 s 1H \| 61 61 t 1H J 21 \| 52 52 s 2H \| 37 37 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Brc1cccc(-n2ccc(CCc3ccn(-c4cccc(Br)c4)n3)n2)c1	ir: 2 3 2 4 4 5 3 2 2 1 1 4 7 4 4 2 1 1 1 2 2 2 1 2 2 1 1 1 3 3 6 4 8 4 1 2 1 2 2 4 2 2 2 2 3 6 36 79 20 18 44 67 18 0 3 6 2 0 5 5 3 1 2 2 3 3 12 26 8 1 1 2 1 0 2 3 5 2 7 11 5 2 3 2 1 2 11 17 4 1 3 6 4 4 2 2 1 7 7 3 3 2 2 1 1 1 2 1 0 1 2 2 1 9 4 2 1 3 3 1 1 4 8 10 3 3 5 3 5 4 5 6 2 5 5 2 3 8 27 85 21 8 3 6 5 55 88 29 7 0 1 29 39 48 27 8 4 3 2 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 5 2 3 2 2 2 4 2 6 14 14 36 100 64 22 48 67 20 2 5 5 2 1 2 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 t 2H J 20 \| 78 78 d 2H J 33 \| 77 76 ddd 2H J 9 20 81 \| 75 75 ddd 2H J 9 20 81 \| 74 74 t 2H J 81 \| 64 63 dd 2H J 9 32 \| 30 30 d 4H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(N)nc2ccc3ccccc3c21	ir: 23 12 11 14 14 14 8 10 8 14 13 13 18 17 30 18 18 33 25 63 26 19 15 17 14 14 11 15 9 10 16 9 9 9 7 13 10 13 9 9 11 10 25 8 11 6 7 5 16 5 6 7 8 12 30 29 7 4 5 6 5 8 8 7 6 6 5 6 5 6 5 6 6 6 9 7 9 6 5 6 5 6 5 6 31 22 5 6 29 6 4 4 5 4 4 5 11 9 6 5 5 5 5 5 9 19 5 5 5 5 6 8 5 4 4 4 4 5 5 6 6 6 5 13 7 6 4 5 5 6 7 4 7 6 8 17 8 10 8 8 18 40 11 30 35 7 8 7 11 10 29 16 42 100 35 36 11 19 9 20 6 8 5 5 4 5 5 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 5 4 5 5 5 7 9 7 7 27 80 36 19 11 11 7 7 8 6 6 5 5 6 5 5 5 5 5 14 36 6 5 4 5 6 3 4 8 8 0 84 77 2 12 7 3 3 6 5 2 4 5 5 3 4 5 4 3 4 5 4 4 4 5 4 4 4 5 4 3 4 5 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4; 1HNMR: 81 81 m 2H \| 80 79 d 1H J 75 \| 76 74 m 3H \| 54 54 s 2H \| 36 36 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CCN(c2nc(N3CCN(C)CC3)cnc2NC(=O)c2ccc(C#N)o2)CC1	ir: 10 6 5 2 2 4 2 2 3 4 2 2 9 6 9 14 29 6 10 5 5 4 3 4 7 11 9 5 11 4 3 13 5 2 1 3 3 8 2 4 1 3 5 35 68 6 5 2 1 1 2 6 3 1 1 3 4 2 7 18 5 1 7 3 6 6 1 1 1 0 1 2 2 7 3 4 8 2 3 5 31 3 5 6 13 2 9 8 3 3 12 5 8 7 7 7 4 8 3 7 7 13 21 6 10 14 4 8 3 2 2 2 6 5 5 4 2 3 7 4 11 5 12 11 29 15 6 5 8 11 3 2 3 4 4 3 3 3 2 1 6 8 100 93 16 63 8 1 4 40 7 6 15 1 1 2 1 1 3 4 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 1 1 1 2 2 3 1 1 1 1 2 1 2 2 9 4 2 2 12 68 8 3 2 2 2 1 1 1 1 1 2 2 1 1 1 1 2 2 4 13 9 14 14 21 9 3 1 2 1 1 1 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 d 1H J 57 \| 72 72 d 1H J 55 \| 72 71 s 1H \| 39 38 ddd 2H J 60 87 136 \| 36 36 m 4H \| 34 34 ddd 2H J 60 88 136 \| 29 29 s 2H \| 27 26 m 4H \| 19 18 dddd 2H J 51 60 88 123 \| 17 16 ddtd 1H J 13 51 64 116 \| 16 15 dddd 2H J 51 60 86 121 \| 10 10 d 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C[C@@H]1CC[C@@H](c2ccc(N3CCC(NC#N)=C(C#N)C3=O)cc2)CC1	ir: 23 20 20 100 30 52 19 24 18 15 21 17 18 15 16 18 18 17 29 22 19 23 24 19 35 19 26 23 17 16 16 18 16 15 15 14 17 15 15 16 18 15 16 18 16 16 15 18 61 25 24 37 25 20 51 14 15 17 15 14 18 20 20 15 14 16 19 14 15 21 15 13 17 15 16 24 18 22 20 17 15 15 14 13 14 14 14 14 21 15 19 15 15 16 15 15 16 16 18 19 17 17 16 19 33 20 37 19 21 21 18 15 18 16 14 14 15 17 16 22 24 16 17 17 19 30 22 28 19 19 20 20 44 31 41 25 22 20 23 15 17 14 16 18 23 16 35 31 23 51 20 16 24 15 14 17 16 0 81 10 14 17 18 13 13 15 14 12 13 15 13 12 14 15 14 12 14 15 13 12 15 17 17 11 18 82 17 18 13 13 14 15 13 13 14 14 13 13 14 14 13 13 14 14 13 13 14 14 13 13 14 14 13 13 14 14 13 13 14 13 13 13 14 14 13 13 14 13 13 14 14 13 13 13 14 14 13 14 14 13 13 14 14 14 13 13 14 13 13 14 14 13 13 14 14 14 14 14 13 14 14 14 14 14 14 14 14 14 14 14 15 14 15 16 16 20 16 16 15 16 17 16 17 18 33 20 46 39 35 19 17 15 15 15 16 15 14 14 14 14 14 14 14 16 15 17 17 16 25 46 71 52 56 42 24 18 18 17 16 14 14 14 14 15 15 14 15 15 14 14 14 14 13 14 14 13 13 14 14 14 13 13 13 13 13 13 13 13 13 14 14 13 13 14 13 13 14 14 14 14 14 13 14 13 14 14 13 13 14 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 14 13 13 13 13 13 13 13 13 13 13 13 13 13 13; 1HNMR: 83 83 s 1H \| 73 72 m 2H \| 72 71 m 2H \| 41 40 m 2H \| 37 36 s 2H \| 26 26 m 2H \| 26 25 ddt 1H J 43 71 81 \| 24 23 dd 1H J 85 164 \| 22 21 dd 1H J 86 163 \| 19 18 m 3H \| 16 15 m 5H \| 13 12 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

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