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DeerEyeRain
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train · 715k rows

Output stringlengths 5 127	Input stringlengths 850 1.64k	Instruction stringclasses 1 value
CSc1nc(N)nc(-c2cnccn2)c1C#N	ir: 2 2 5 4 4 4 6 3 5 4 4 5 10 6 6 4 4 2 2 2 7 4 3 4 2 1 2 3 10 8 8 8 5 4 3 3 2 2 2 2 2 1 2 2 13 34 30 12 4 2 16 7 1 1 1 3 3 1 2 1 2 1 2 2 5 2 2 2 2 1 3 5 7 1 2 1 1 1 1 1 2 3 2 1 1 1 1 1 1 1 2 3 1 1 1 1 1 1 1 1 1 3 5 1 1 0 1 1 1 1 2 2 4 4 2 2 1 1 2 1 1 2 6 1 1 1 1 1 1 1 1 1 1 1 2 11 7 4 2 3 3 5 3 5 9 12 6 66 100 47 8 4 5 4 5 2 1 2 2 2 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 3 10 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 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 5 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 2 3 5 7 3 1 1 1 1 1 1 1 1 0 6 19 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 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 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 94 94 d 1H J 13 \| 88 88 d 1H J 33 \| 87 86 dd 1H J 14 34 \| 67 67 s 2H \| 27 27 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](c1ccccc1)N1CCO[C@@H](c2ccc(C(=O)O)cc2)C1	ir: 5 5 5 5 4 5 5 4 4 6 5 6 4 6 6 6 9 9 28 7 12 8 41 11 6 8 5 5 4 5 6 5 8 6 5 4 6 5 4 4 5 45 5 5 5 5 5 4 5 5 5 4 8 5 5 0 8 5 5 6 5 11 5 5 4 4 9 7 6 12 8 5 9 6 7 22 5 5 22 53 5 6 5 13 6 6 5 9 13 9 21 6 5 6 4 4 5 4 5 6 10 5 4 4 5 4 4 4 5 5 4 5 6 7 5 15 14 12 6 6 5 5 7 8 5 6 5 6 5 6 5 5 5 5 8 15 5 4 4 5 5 5 26 25 16 6 5 5 5 6 6 11 7 4 5 5 4 4 4 5 4 4 5 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 5 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 5 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 5 5 4 4 5 5 4 4 5 4 4 4 6 6 5 9 9 12 100 15 10 5 5 5 4 6 6 11 59 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 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: 88 88 s 1H \| 79 79 m 2H \| 75 74 m 2H \| 74 72 m 5H \| 50 49 m 1H \| 39 39 ddd 1H J 31 57 103 \| 38 38 ddd 1H J 31 57 103 \| 36 36 m 1H \| 32 31 dd 1H J 18 121 \| 30 29 m 3H \| 14 13 d 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(Cl)cc1N1CCN(C(=O)CSCc2c(C)noc2C)CC1	ir: 1 10 10 22 12 4 3 6 3 7 9 5 5 9 10 22 10 14 28 33 9 5 10 9 53 53 11 6 12 10 14 10 13 6 10 16 3 5 8 3 19 30 7 2 3 7 5 14 4 15 5 3 8 74 4 3 6 4 5 4 3 8 9 4 7 10 10 22 66 16 5 21 21 6 2 1 4 5 2 1 3 7 2 3 5 6 4 10 43 16 13 11 26 10 15 25 25 24 6 5 20 5 4 5 9 22 22 35 14 5 4 5 11 31 18 13 22 19 17 8 20 22 44 39 16 11 5 14 29 8 9 15 27 10 10 19 16 19 5 6 8 9 27 75 11 5 7 16 72 22 12 6 4 62 7 3 2 2 2 3 5 26 2 4 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 4 2 0 2 3 2 0 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 2 2 6 9 4 6 8 10 16 20 10 11 6 5 8 23 9 62 42 59 100 39 17 4 2 5 5 4 3 3 3 2 1 3 4 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3; 1HNMR: 71 70 dq 1H J 10 73 \| 70 69 dd 1H J 22 73 \| 68 68 d 1H J 21 \| 40 39 s 2H \| 36 36 m 4H \| 35 34 s 2H \| 33 33 m 4H \| 23 23 d 6H J 26 \| 23 22 d 3H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1c(OC)cccc1C(O)c1cc(Cl)ccc1N	ir: 3 3 1 6 2 4 5 2 6 4 4 5 6 6 10 3 5 4 6 3 5 2 8 2 4 2 3 1 2 3 1 2 1 1 1 1 4 4 2 4 3 1 1 6 3 3 2 2 6 6 2 0 3 3 6 7 1 1 1 2 2 3 1 1 2 3 2 3 3 2 3 4 2 2 2 0 4 10 7 3 2 3 1 2 29 26 6 10 5 3 4 4 2 2 3 1 1 1 2 1 3 6 3 2 2 2 1 1 1 1 1 3 2 3 1 1 1 1 1 2 2 2 1 3 2 1 1 1 1 1 1 0 1 0 0 0 1 1 1 3 3 5 2 1 1 1 1 1 2 2 11 3 7 6 4 31 51 7 7 1 1 2 30 3 1 0 0 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 2 2 4 3 2 2 2 2 3 2 4 5 9 30 9 4 4 3 3 4 4 100 32 4 3 2 1 1 2 2 0 5 42 1 1 2 1 1 2 2 2 3 5 27 56 9 3 2 1 1 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 dd 1H J 7 22 \| 72 72 m 1H \| 72 71 m 1H \| 71 71 dd 1H J 22 73 \| 69 68 d 1H J 73 \| 68 67 dd 1H J 15 77 \| 61 61 m 1H \| 49 48 s 2H \| 39 38 s 2H \| 32 31 d 1H J 59 \| 29 28 qd 2H J 50 74 \| 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.
CCC#CCOc1ncnc(N2CC(C)CC(C)C2)c1F	ir: 1 1 1 1 1 1 1 1 1 1 0 1 2 2 14 1 0 1 1 1 1 0 2 1 1 1 1 0 0 1 0 0 0 0 1 1 1 1 3 98 2 1 4 5 2 1 3 1 1 1 2 1 2 1 2 0 0 1 2 2 1 1 1 1 1 1 0 1 1 1 1 1 1 2 1 2 1 5 6 15 2 1 0 3 4 1 1 0 16 1 0 1 1 1 1 1 5 2 1 3 5 14 6 5 2 1 1 3 3 3 2 1 2 1 0 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 0 2 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 11 100 4 0 0 1 1 1 46 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 1 1 0 1 2 1 1 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 s 1H \| 51 50 t 2H J 26 \| 38 37 dd 2H J 51 126 \| 35 35 dd 2H J 51 126 \| 23 22 qt 2H J 25 80 \| 20 19 ht 2H J 51 68 \| 17 16 dt 1H J 69 130 \| 14 13 dt 1H J 68 128 \| 12 11 t 3H J 80 \| 9 9 d 6H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1ccc(NC(=O)Nc2ccccc2Oc2cc(C(=O)O)nn2-c2ccccc2)cc1	ir: 1 2 3 4 6 3 3 3 4 9 7 5 9 11 19 24 6 12 21 32 51 33 62 13 5 4 5 5 5 6 4 3 3 11 12 4 6 3 9 13 11 13 25 100 31 13 7 7 3 2 4 10 6 10 26 21 13 5 7 2 4 5 3 3 1 2 4 2 11 2 15 7 24 6 11 22 17 31 47 7 5 2 5 7 2 4 8 3 2 2 2 3 4 9 2 2 2 2 2 4 2 4 1 10 31 7 2 2 2 2 0 4 31 11 3 2 2 1 3 5 15 18 9 3 6 2 0 5 62 6 11 1 8 15 24 14 4 17 9 4 4 2 3 10 20 4 3 13 15 15 12 45 96 41 38 29 4 24 4 4 5 5 2 7 5 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 1 1 1 2 1 1 2 3 4 7 8 25 17 84 71 25 17 5 3 3 3 4 26 7 6 2 2 2 2 2 2 2 2 2 7 6 17 52 15 14 6 4 3 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 88 88 s 1H \| 81 81 s 1H \| 79 79 dd 1H J 14 80 \| 77 77 m 2H \| 76 75 m 5H \| 74 74 m 1H \| 72 71 m 2H \| 71 71 td 1H J 14 80 \| 71 70 td 1H J 15 80 \| 69 69 dd 1H J 14 81 \| 67 66 s 1H \| 13 13 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(NCCBr)c2ccccc2n1	ir: 5 6 13 8 11 7 9 4 8 6 4 14 12 9 5 4 2 1 1 1 1 1 1 2 18 4 3 7 2 1 1 2 1 1 1 1 1 1 1 2 3 0 39 39 4 2 2 0 14 4 1 0 2 5 1 0 1 2 1 2 1 6 7 4 2 4 8 10 8 2 8 20 7 4 2 1 1 1 1 3 1 1 1 1 1 13 1 1 1 1 1 1 1 2 1 1 1 1 1 5 1 2 1 2 4 5 4 2 2 4 1 2 7 8 2 2 3 6 8 5 3 6 3 1 1 2 6 8 3 4 2 1 1 2 4 8 2 3 2 20 6 2 2 20 16 6 2 5 3 22 10 2 1 1 1 1 1 1 2 1 5 52 12 2 8 10 2 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 2 1 2 2 2 2 4 6 14 100 10 4 5 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 2 10 3 5 11 48 11 15 18 6 2 3 2 1 1 2 2 1 0 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 1 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 m 1H \| 79 79 dd 1H J 16 73 \| 76 76 td 1H J 13 71 \| 74 73 ddd 1H J 13 70 84 \| 69 68 d 1H J 7 \| 57 57 t 1H J 49 \| 38 37 dt 2H J 33 50 \| 36 36 t 2H J 33 \| 25 25 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCCc1ccc(Br)cc1)c1sccc1Nc1ccnc2[nH]ccc12	ir: 1 1 1 1 1 1 0 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 7 23 9 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 8 2 30 5 6 1 1 2 6 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 5 1 1 1 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 3 1 1 1 1 4 1 1 1 1 3 4 2 0 1 1 1 1 1 1 1 1 2 5 2 0 1 2 1 1 2 3 2 6 6 5 1 1 1 6 7 2 3 2 1 12 1 1 0 2 100 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 1 0 1 0 0 0 1 0 0 1 1 1 1 0 0 1 1 1 1 0 1 1 1 1 0 1 1 1 1 0 0 0 0 0 1 1 0 1 0 0 0 0 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 2 3 6 3 6 4 2 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 4 20 12 7 3 3 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 1 1 1 0 1 1 1 0 0 1 0 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0; 1HNMR: 98 98 d 1H J 63 \| 85 85 s 1H \| 84 84 d 1H J 40 \| 77 76 m 2H \| 74 73 m 2H \| 72 72 dt 2H J 9 82 \| 72 71 d 1H J 53 \| 70 70 d 1H J 49 \| 70 69 m 2H \| 36 35 td 2H J 44 53 \| 29 29 tt 2H J 9 53	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCc1ccc(Cl)cc1)c1ccc2sc(CN3CCOCC3)cc2c1O	ir: 1 3 3 2 3 2 2 4 3 3 1 2 2 27 6 2 1 3 3 1 1 2 1 0 2 3 4 3 3 6 7 2 2 2 2 3 8 2 2 1 1 5 13 15 50 30 13 11 9 4 8 3 11 6 15 40 8 4 2 2 1 1 1 1 2 5 1 0 3 4 1 5 11 4 2 2 1 2 5 12 46 28 10 25 7 6 4 1 2 3 2 2 7 10 7 12 11 4 21 38 13 1 2 2 4 2 1 1 2 1 0 1 2 2 4 1 2 2 2 6 7 2 2 6 4 3 2 7 6 1 1 1 3 2 2 1 1 1 12 7 3 6 34 15 24 33 8 6 3 5 3 6 11 100 8 3 11 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 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 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 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 2 2 2 2 3 1 0 1 3 2 3 14 20 34 68 23 17 5 3 2 3 2 1 59 1 2 2 1 1 1 1 1 1 2 3 6 2 5 7 17 49 7 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 81 81 t 1H J 56 \| 79 78 d 1H J 82 \| 75 75 d 1H J 83 \| 75 74 d 1H J 10 \| 73 73 dt 2H J 9 79 \| 73 72 m 2H \| 46 45 dt 2H J 9 57 \| 38 38 d 2H J 7 \| 37 36 m 4H \| 26 26 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cccc2c1CCNC2	ir: 3 5 6 6 5 11 12 5 4 5 6 6 5 5 6 5 4 5 5 4 4 6 12 7 5 6 5 6 6 5 5 4 5 5 6 6 10 25 6 5 5 5 5 8 37 26 19 5 7 12 27 4 7 7 13 55 16 89 70 2 6 11 5 0 65 54 10 6 7 11 25 19 8 5 5 5 5 6 5 4 5 6 5 4 5 5 5 5 6 8 11 8 7 6 5 14 8 7 5 6 6 5 5 5 8 6 5 9 6 10 50 53 23 11 22 27 27 16 10 8 10 6 5 5 7 7 26 16 9 14 14 6 6 5 4 7 10 14 9 42 74 5 5 6 6 5 5 7 6 4 5 5 5 4 4 10 7 7 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 4 5 5 4 5 5 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 6 6 5 5 9 8 7 7 7 6 5 5 7 6 10 16 10 13 29 16 10 7 8 6 5 5 5 5 5 5 5 6 6 6 8 7 5 73 100 9 5 5 5 5 5 4 4 5 5 4 5 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5; 1HNMR: 75 74 dd 1H J 11 68 \| 74 73 t 1H J 70 \| 72 72 dq 1H J 9 72 \| 40 39 dd 2H J 9 46 \| 31 31 dt 2H J 34 41 \| 30 29 m 2H \| 26 25 p 1H J 44	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N[C@H](CO)c1ccc(-c2ccccc2)cc1	ir: 5 8 2 4 6 6 9 8 11 16 36 19 23 14 20 19 10 41 10 24 17 6 3 9 8 6 12 5 12 10 9 11 7 7 15 17 13 4 2 7 27 16 15 7 5 1 3 4 3 1 9 5 4 2 37 33 12 4 7 27 12 1 8 31 15 5 13 34 98 54 33 8 6 7 7 18 19 19 19 7 39 39 9 8 7 17 45 84 37 29 26 5 6 11 27 16 4 2 4 4 1 2 4 2 1 3 5 3 5 3 4 2 0 5 4 25 22 14 8 7 2 7 10 7 6 12 11 6 6 8 18 38 79 100 24 17 15 6 8 5 5 4 60 11 3 12 3 1 8 9 4 7 10 6 3 2 1 3 2 1 2 2 2 1 2 3 2 0 1 3 2 0 1 2 1 0 2 3 1 0 1 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 3 1 0 2 2 1 0 1 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 2 1 2 2 1 1 2 2 0 1 3 2 1 1 2 2 1 2 3 3 1 3 5 3 3 4 7 7 5 46 66 45 10 7 10 10 36 46 40 15 7 4 6 12 20 28 30 19 13 17 9 22 80 97 7 3 2 3 3 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 2 0 1 2 1 1 2 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 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 76 76 dd 4H J 12 82 \| 75 74 m 2H \| 74 73 m 3H \| 42 41 m 1H \| 40 40 ddd 1H J 37 53 128 \| 38 37 ddd 1H J 37 53 128 \| 31 31 t 1H J 53 \| 27 27 d 2H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(C2C3=C(CCS3)NC3=C2SCC3)cc1Br	ir: 8 34 16 5 0 1 0 2 1 1 1 2 0 1 1 0 0 1 1 0 1 1 1 0 0 2 1 1 1 1 1 1 1 1 2 1 3 1 2 1 1 1 1 1 4 4 2 1 2 1 1 0 0 1 6 5 1 1 2 0 2 1 1 0 1 2 2 14 4 1 1 0 0 1 0 0 0 1 0 2 1 2 4 3 2 1 0 1 1 1 0 0 1 0 1 1 3 1 4 1 2 1 1 1 10 3 0 1 1 0 0 1 1 1 1 1 1 1 1 3 1 1 2 2 2 2 2 5 10 6 1 1 1 0 0 0 0 1 1 8 1 0 0 1 1 0 0 2 9 5 4 8 26 24 2 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 2 1 0 1 1 1 1 2 1 2 2 2 2 0 1 1 1 6 7 4 4 32 8 2 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 5 8 100 18 1 3 2 3 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1; 1HNMR: 77 76 td 1H J 13 25 \| 73 73 m 1H \| 72 71 dd 1H J 81 102 \| 60 60 s 1H \| 45 45 p 1H J 9 \| 30 29 m 4H \| 27 26 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C(=O)O)c1n[nH]c(=O)c2ccccc12	ir: 0 1 1 1 1 1 5 6 8 4 6 4 1 7 19 12 3 9 19 14 15 33 32 32 15 7 8 2 6 5 1 0 0 2 1 3 1 2 1 1 2 7 21 32 6 5 2 2 22 39 7 2 2 1 1 1 1 1 1 0 1 1 1 0 2 2 1 0 1 7 4 3 2 3 2 2 3 8 14 42 10 6 6 3 3 4 1 2 3 2 0 1 19 22 6 8 9 2 3 4 2 1 1 3 1 1 0 1 1 1 1 1 1 3 3 4 13 15 10 5 4 7 11 13 15 3 11 8 2 4 2 1 4 5 3 10 8 2 2 3 6 11 12 23 6 38 12 6 3 6 8 2 1 1 1 1 1 1 1 1 13 12 2 3 2 0 1 1 1 0 1 1 1 1 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 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 2 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 1 1 1 1 1 1 1 1 3 2 1 3 4 6 6 19 16 27 7 4 0 2 3 2 4 100 81 13 3 2 2 1 1 1 1 1 1 3 6 12 21 31 16 4 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 81 80 dd 1H J 17 81 \| 79 79 dd 1H J 17 77 \| 77 77 td 1H J 17 80 \| 77 76 td 1H J 16 78 \| 41 40 q 1H J 71 \| 15 14 d 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(Cl)ccc1C(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(F)cc2)c1	ir: 0 2 5 1 5 2 2 1 2 1 2 1 0 1 2 1 1 5 2 2 0 1 1 0 2 2 1 2 2 4 12 1 3 11 6 0 3 5 13 10 22 100 47 9 9 3 2 6 5 2 3 4 2 6 41 5 12 6 2 2 1 1 2 1 1 2 2 18 18 8 1 1 1 2 2 2 1 1 1 1 0 1 2 1 2 1 3 2 1 1 1 1 1 2 1 1 7 4 2 1 1 1 1 1 1 1 7 2 2 2 1 1 2 2 1 1 1 2 2 3 1 1 1 1 2 1 1 2 2 1 0 1 1 2 1 11 14 4 2 1 1 5 8 18 8 9 5 12 8 6 2 14 22 5 7 19 34 2 3 11 1 1 3 4 10 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 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 1 0 0 0 1 1 1 1 1 0 0 1 1 1 2 1 2 2 4 3 5 9 33 27 21 5 3 2 2 2 1 2 2 1 1 1 1 1 0 1 1 2 3 8 13 19 63 17 7 3 4 2 1 1 1 1 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 d 2H J 27 \| 81 80 m 2H \| 80 79 d 1H J 81 \| 75 75 dd 1H J 21 83 \| 74 73 m 4H \| 72 72 d 1H J 81 \| 26 26 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](CC=O)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3	ir: 1 1 2 2 1 2 9 1 1 3 1 2 1 2 2 1 3 3 3 1 2 5 5 4 1 3 4 2 1 3 3 5 1 1 1 2 2 3 1 1 2 2 2 0 2 2 3 1 1 1 3 2 5 4 2 1 4 7 4 2 3 7 6 4 4 9 11 10 9 8 4 5 4 4 4 4 2 4 4 5 4 4 7 9 18 34 18 81 30 21 5 5 9 5 8 4 3 2 1 2 3 6 5 11 31 8 8 8 7 6 6 6 2 5 1 6 5 6 6 6 7 10 6 5 9 5 14 7 3 3 2 4 5 4 1 4 7 2 3 2 2 2 1 2 2 0 1 4 18 17 15 5 2 1 1 1 1 1 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 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 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 3 4 5 5 7 9 26 8 11 6 5 5 9 13 46 46 31 28 8 9 4 7 1 14 13 59 100 30 14 12 2 4 4 4 3 4 4 8 4 5 5 2 2 4 1 2 4 7 4 2 3 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 0 0 1 1 0 0 1 1 0 0 1 1 0 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: 97 96 td 1H J 17 58 \| 59 59 td 1H J 17 63 \| 33 32 dddd 1H J 26 46 72 108 \| 30 29 d 1H J 108 \| 24 23 ddd 1H J 58 71 158 \| 23 21 m 4H \| 21 17 m 9H \| 17 15 m 4H \| 14 13 ddd 1H J 24 53 80 \| 12 12 s 2H \| 10 10 s 2H \| 10 9 m 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(-c2cnn(C)c2)cn2ncc(C(N)=O)c12	ir: 0 1 1 1 0 1 2 3 3 4 6 3 4 14 6 16 4 1 3 17 16 4 5 1 1 2 2 2 3 4 7 5 3 1 1 1 1 1 1 0 1 1 1 1 5 24 13 4 7 1 1 1 1 1 1 1 1 2 1 1 4 6 26 19 10 10 2 3 3 3 3 1 3 6 3 3 3 4 2 5 3 3 1 1 1 1 0 0 1 1 1 7 10 1 1 1 4 30 3 1 2 1 1 0 1 1 1 0 1 1 1 1 1 1 1 3 3 1 1 3 2 3 0 1 2 1 2 2 1 1 0 1 2 2 1 1 1 6 1 2 2 2 1 1 2 2 9 4 3 1 1 7 6 0 1 18 100 35 31 42 8 11 1 1 1 1 2 6 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 1 1 2 2 3 8 5 17 22 11 4 2 1 1 1 1 0 1 1 1 1 12 6 1 0 0 1 1 0 1 1 1 1 2 34 55 3 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 86 86 d 1H J 13 \| 85 85 s 2H \| 81 81 s 1H \| 81 81 s 1H \| 74 74 s 1H \| 72 72 d 1H J 13 \| 40 40 s 3H \| 39 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cccc(C(=O)c2ncc(C#N)c3cc(OC)c(OC)cc23)c1	ir: 1 1 2 3 1 2 1 4 2 1 3 1 1 2 3 2 6 5 5 1 1 1 2 2 3 10 6 3 2 3 2 4 16 8 14 10 6 3 4 11 5 24 7 2 2 3 2 15 29 3 2 6 5 3 1 0 4 2 2 4 3 2 1 3 4 2 2 8 9 12 7 14 10 7 2 3 4 2 4 1 2 2 3 0 2 1 1 1 3 1 0 1 2 4 30 1 3 1 0 1 1 1 3 4 3 8 5 5 19 2 1 1 3 3 3 2 2 2 3 2 2 2 1 5 13 5 15 15 11 2 2 3 9 5 2 2 2 1 1 2 3 3 15 7 4 2 1 7 2 1 3 1 1 4 1 2 5 12 26 7 6 3 5 2 1 2 1 3 13 3 1 2 1 0 1 1 1 0 1 1 1 1 97 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 2 1 1 2 2 3 3 6 5 14 100 14 8 4 3 2 2 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 1 1 0 1 1; 1HNMR: 90 89 s 1H \| 86 86 s 1H \| 78 77 ddd 1H J 11 22 79 \| 77 77 s 1H \| 75 74 t 1H J 80 \| 74 73 t 1H J 20 \| 70 69 ddd 1H J 9 17 81 \| 40 39 q 2H J 67 \| 39 38 s 5H \| 15 14 t 3H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1	ir: 2 4 3 4 3 8 1 12 17 20 9 6 4 4 10 13 17 19 17 24 62 100 31 3 12 9 4 3 4 5 4 2 1 3 6 2 1 3 2 1 2 4 5 26 3 9 10 3 10 2 2 3 7 26 27 41 5 6 4 0 6 13 8 1 3 8 47 6 6 21 5 2 4 3 6 10 9 7 12 39 9 9 6 68 22 13 9 20 18 40 31 8 3 3 1 3 6 9 8 4 6 12 2 2 2 1 0 1 2 1 0 2 5 5 2 2 4 5 6 14 24 7 2 5 4 5 7 2 5 3 2 7 5 4 1 2 2 1 0 2 2 5 4 54 4 2 3 8 10 38 7 2 4 7 6 4 2 1 1 2 1 1 8 3 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 2 1 1 2 2 1 2 2 2 1 3 3 2 1 2 3 4 9 11 12 8 43 16 9 3 2 3 2 3 2 8 61 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; 1HNMR: 92 92 s 1H \| 77 77 m 2H \| 74 74 m 2H \| 71 70 m 5H \| 46 46 s 2H \| 24 23 d 3H J 7 \| 14 13 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1nc(N)c(Br)cc1Cl	ir: 6 8 11 10 18 22 6 7 8 3 13 11 7 5 8 3 6 5 4 2 1 4 17 19 14 7 4 5 7 9 5 5 2 3 3 4 3 3 22 25 42 14 9 7 3 2 2 2 3 1 3 3 2 3 2 3 2 1 1 3 2 1 1 2 1 3 2 3 5 4 2 2 2 1 2 6 5 2 2 2 1 1 1 1 1 1 2 19 17 2 1 3 2 1 1 1 0 1 2 2 1 1 2 1 2 4 2 3 11 2 2 2 1 1 2 1 1 2 2 4 7 14 4 2 2 3 3 3 2 2 12 6 2 1 2 1 2 2 2 3 4 17 32 1 2 16 24 100 11 20 11 26 47 83 30 5 4 8 5 1 1 2 1 1 1 2 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 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 2 2 4 1 5 4 3 1 2 2 1 0 1 1 1 1 1 1 1 0 1 2 3 35 35 5 2 1 1 1 1 1 2 1 7 66 97 9 2 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 81 80 s 1H \| 54 54 s 2H \| 39 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1C(=O)C2(C)CC=CC1C2	ir: 15 9 1 9 14 6 0 9 15 8 10 16 23 7 2 9 12 4 1 9 12 4 4 16 10 4 3 10 10 8 7 12 12 9 4 43 28 6 8 23 21 21 15 14 9 1 5 12 8 0 6 13 7 0 7 22 11 0 7 15 9 1 10 14 12 6 9 13 5 1 8 12 5 2 9 11 4 2 9 12 6 3 10 11 3 3 10 10 6 8 15 10 3 5 20 19 5 7 12 9 2 7 13 8 1 6 12 8 6 10 15 13 3 7 14 9 6 9 17 13 9 11 14 6 2 10 14 9 6 19 18 31 8 13 98 9 6 16 18 4 3 9 10 3 4 11 9 6 29 12 9 3 20 73 100 5 5 12 8 1 5 12 7 1 5 12 7 0 6 12 6 0 7 12 6 0 7 12 6 1 7 11 5 1 8 11 5 2 8 10 4 2 9 10 4 3 9 10 3 3 9 9 3 4 10 9 3 4 10 8 2 4 10 8 2 5 11 7 2 5 11 7 1 6 12 7 1 6 12 6 1 7 12 6 1 7 11 5 2 7 11 5 2 8 10 5 3 8 10 4 3 9 10 4 3 9 9 4 4 9 9 3 4 10 8 3 5 11 8 5 6 12 9 3 6 12 12 3 9 11 8 4 9 21 37 39 32 18 7 2 7 11 6 2 8 11 6 2 8 10 5 3 8 10 5 3 8 9 4 3 8 9 4 4 9 9 4 4 9 8 3 5 9 8 3 5 10 8 3 5 10 7 2 6 10 7 2 6 11 7 2 6 11 6 2 7 11 6 2 7 10 6 3 7 10 5 3 7 10 5 3 8 9 5 4 8 9 4 4 8 8 4 4 9 8 4 5 9 8 4 5 9 8 3 5 9 7 3 5 10 7 3 6 10 7 2 6 10 6 2; 1HNMR: 60 60 ddq 1H J 9 47 84 \| 57 56 dtd 1H J 17 53 90 \| 48 48 qdt 1H J 9 19 46 \| 24 24 ddt 1H J 10 53 154 \| 22 21 m 2H \| 20 19 ddd 1H J 9 46 115 \| 15 15 s 8H \| 12 12 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C(F)(F)F)ccc1C(=O)NCc1cccc(Oc2ccc(CCC(=O)O)c(C)c2)c1	ir: 1 1 1 1 2 5 6 3 3 2 2 4 7 7 2 2 5 3 6 11 13 63 22 4 11 6 5 2 1 2 5 2 5 5 4 3 2 2 2 1 1 2 3 2 9 2 3 10 5 1 1 2 3 2 4 3 5 1 2 1 2 1 1 3 5 3 3 5 4 1 3 2 3 1 2 3 5 8 41 12 3 4 2 1 3 2 4 1 3 4 2 1 4 1 2 3 5 6 15 11 2 1 2 0 0 0 1 1 0 3 2 1 3 5 6 4 2 3 1 3 6 2 2 5 6 4 2 5 4 3 3 2 2 1 0 1 1 6 1 6 11 4 4 47 24 26 14 8 1 9 9 2 2 7 5 16 4 1 1 0 1 1 8 11 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 2 3 2 5 9 13 61 20 4 2 2 1 0 2 3 22 100 8 4 1 1 1 1 0 0 1 2 2 5 7 11 17 15 5 3 3 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; 1HNMR: 81 81 t 1H J 57 \| 79 79 d 1H J 110 \| 77 76 m 1H \| 74 73 m 2H \| 72 71 dtd 1H J 9 20 79 \| 70 69 m 2H \| 69 69 tt 1H J 9 22 \| 68 68 dd 1H J 22 86 \| 67 67 m 1H \| 45 44 dt 2H J 9 57 \| 39 39 s 2H \| 30 29 td 2H J 9 88 \| 27 26 t 2H J 86 \| 23 22 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1c(F)cccc1F)c1ccn(Cc2ccccc2OC2CCCCC2)n1	ir: 3 3 4 5 3 3 4 3 3 3 6 3 1 4 7 16 1 4 6 16 0 4 5 1 3 17 17 16 13 6 4 3 3 6 4 4 3 4 5 4 13 52 50 97 46 19 15 42 6 4 6 3 6 8 9 5 3 3 5 1 2 3 2 0 3 5 2 1 3 4 4 4 4 5 6 4 3 4 1 1 3 11 4 3 5 4 2 2 4 5 10 4 9 6 4 10 46 4 3 3 3 2 1 3 4 3 1 8 6 5 5 7 7 12 6 3 7 4 1 3 5 2 2 5 5 3 4 24 11 7 3 6 11 3 6 15 9 15 19 15 9 2 6 19 100 31 15 19 35 75 14 7 5 7 8 6 7 4 2 10 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 1 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 3 5 5 1 4 6 4 1 4 4 5 1 17 12 24 67 36 34 16 8 8 8 3 2 3 2 2 2 2 2 2 2 4 4 4 6 4 11 6 53 63 14 7 5 3 3 2 2 4 3 2 1 2 4 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2; 1HNMR: 90 90 t 1H J 48 \| 74 73 m 2H \| 73 72 m 2H \| 71 70 m 2H \| 70 70 ddd 1H J 11 70 77 \| 69 68 m 2H \| 54 54 t 2H J 8 \| 45 45 m 1H \| 20 19 m 2H \| 18 16 m 4H \| 16 15 m 2H \| 16 14 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc(Nc2ccccc2)c(Nc2ccccc2)cc1C(=O)O	ir: 4 2 5 3 5 7 4 5 8 4 3 8 3 6 9 12 8 11 11 21 29 11 26 31 21 17 6 4 4 6 7 5 7 5 3 2 3 3 6 7 5 21 47 6 3 3 4 2 2 3 2 1 2 2 2 1 2 2 2 1 1 2 1 2 2 2 2 4 14 11 6 5 3 4 3 3 9 33 29 6 4 5 5 4 2 2 2 2 2 1 2 3 5 2 2 2 2 2 2 2 2 2 2 4 24 9 4 12 6 3 2 2 2 2 6 9 2 2 2 2 2 4 3 3 1 5 3 2 2 2 2 2 5 6 3 5 8 7 5 3 1 4 6 3 5 3 8 27 16 11 9 2 17 7 6 6 11 2 2 2 4 9 27 4 3 2 3 3 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 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 2 1 1 2 2 2 2 1 1 2 2 1 2 2 2 2 2 2 3 3 6 21 29 9 11 5 4 3 1 2 4 15 100 4 0 3 3 2 2 3 4 2 2 5 6 20 36 46 25 9 4 3 3 2 2 2 2 1 2 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 2 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 76 76 s 2H \| 76 76 s 2H \| 72 72 m 4H \| 69 68 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1Cc2ccccc2C1N	ir: 0 3 15 5 1 1 0 0 1 1 1 2 2 1 1 1 1 2 5 1 2 2 3 1 1 1 1 1 1 1 2 4 2 1 1 1 2 1 1 16 25 17 10 0 5 2 5 1 3 6 2 0 0 2 1 1 2 3 6 3 34 8 6 4 4 35 11 2 7 41 17 11 31 24 39 7 49 6 6 2 20 41 8 3 3 2 2 29 14 2 3 2 1 1 2 1 2 1 4 9 11 5 2 2 5 2 3 2 7 4 4 3 1 2 2 5 11 11 12 12 9 3 6 5 9 11 21 10 20 12 66 52 100 78 47 15 7 69 5 10 14 2 1 1 1 1 2 1 3 23 2 1 1 0 1 1 1 1 3 1 1 1 1 1 1 1 1 1 0 0 0 1 0 0 1 1 1 0 1 1 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 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 1 0 0 1 0 0 1 1 1 1 0 1 1 0 1 1 0 1 1 1 1 2 3 1 2 2 2 2 4 4 4 3 2 5 4 7 4 10 6 8 29 42 15 3 3 2 2 2 2 2 6 7 10 17 16 55 25 15 16 9 10 12 70 73 8 2 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 1H \| 72 72 m 3H \| 42 41 m 1H \| 30 29 ddd 1H J 8 59 147 \| 28 27 ddd 1H J 9 60 148 \| 23 22 d 2H J 43 \| 22 21 dtq 1H J 15 47 94 \| 16 15 dqd 1H J 48 72 130 \| 13 12 dqd 1H J 47 73 130 \| 9 8 td 3H J 15 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(-n2nc(C(F)(F)F)cc2-c2cccnc2)cc1	ir: 4 4 6 25 3 5 3 3 3 4 3 3 1 4 9 5 3 1 1 2 5 14 9 3 2 4 8 14 2 5 11 12 4 10 78 25 4 5 9 6 3 5 2 5 2 1 2 2 9 1 1 1 2 4 4 32 21 24 3 4 4 9 22 6 5 6 4 2 10 34 6 5 10 61 20 3 4 4 7 5 3 3 8 4 5 4 2 5 10 2 1 3 2 1 2 2 3 5 54 6 2 1 3 5 3 1 1 1 2 2 1 6 84 18 41 11 4 12 4 2 2 18 17 5 10 12 2 2 2 3 7 7 27 5 6 11 3 5 3 12 7 13 29 3 1 2 4 19 32 3 3 3 17 13 17 17 3 2 2 1 2 11 7 34 6 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 2 11 3 1 0 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 2 3 2 1 2 4 6 4 21 100 67 38 22 10 4 10 6 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 87 d 1H J 19 \| 87 86 dd 1H J 17 48 \| 82 81 dt 1H J 19 70 \| 79 78 m 2H \| 77 77 m 2H \| 75 74 dd 1H J 48 69 \| 71 71 q 1H J 17	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2noc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)cc1	ir: 4 3 3 4 4 6 9 7 19 19 5 5 3 4 6 5 6 4 2 2 8 4 5 22 18 5 2 4 4 6 5 4 3 2 2 4 4 1 6 13 15 13 68 12 6 11 4 0 3 9 4 1 5 7 10 31 26 15 6 1 4 3 4 6 8 7 4 9 18 16 5 9 4 3 2 2 2 3 4 3 3 3 3 6 3 3 3 4 10 5 5 6 5 10 16 4 4 4 5 5 15 4 3 2 2 3 2 3 4 3 3 4 13 6 3 4 4 6 14 16 7 11 5 8 7 9 7 15 20 59 43 13 22 6 5 5 5 3 20 76 47 45 93 21 5 4 5 3 3 15 11 14 14 4 4 4 5 3 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 2 2 2 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 4 3 3 3 3 5 7 4 3 4 4 3 5 12 27 22 47 100 26 17 11 4 5 5 3 4 3 3 2 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 79 m 2H \| 78 77 dd 1H J 22 75 \| 75 75 d 1H J 22 \| 74 74 m 2H \| 73 72 d 1H J 75 \| 24 23 d 3H J 9 \| 19 19 m 4H \| 13 13 d 12H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)S(=O)(=O)n1cc(I)c(-c2ccccn2)n1	ir: 12 3 5 9 13 12 13 7 16 4 2 4 11 14 17 85 3 2 3 3 1 1 2 2 4 1 2 2 2 2 3 3 11 6 12 10 4 4 2 4 3 2 4 6 11 7 4 3 2 2 2 1 1 2 2 0 3 4 3 1 25 15 13 20 4 4 13 8 35 100 18 9 2 0 3 4 2 2 2 10 4 3 11 6 24 48 47 12 24 22 34 29 15 10 6 5 15 5 2 2 1 2 5 2 1 2 2 1 1 4 10 2 1 2 2 3 4 7 4 7 5 4 7 10 3 1 2 2 3 7 6 2 2 3 2 1 1 1 2 1 2 2 2 4 2 2 3 19 2 2 1 1 1 2 1 1 1 1 1 1 1 5 18 2 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 2 2 2 2 1 1 2 5 4 12 18 17 17 9 17 39 8 5 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 86 dd 1H J 16 40 \| 81 80 dd 1H J 14 82 \| 80 80 s 1H \| 78 77 ddd 1H J 17 71 82 \| 73 73 ddd 1H J 13 40 71 \| 29 29 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC#Cc1cc(CO)c2oc(C)cc2c1	ir: 4 10 2 2 2 3 3 1 3 4 3 2 4 7 2 2 1 1 1 3 2 1 4 3 4 2 1 1 1 1 0 1 1 1 1 7 15 5 1 2 10 3 4 17 3 1 1 1 1 1 2 13 5 2 3 1 1 1 2 1 1 4 9 1 2 2 4 13 14 8 12 2 4 1 2 4 2 1 3 1 1 2 5 7 8 32 38 21 21 10 6 11 7 3 4 7 5 3 3 3 31 19 2 2 0 4 5 2 4 2 2 2 1 1 1 1 1 1 1 1 3 1 5 10 2 3 2 2 2 2 1 1 0 1 1 1 5 30 2 1 0 0 1 1 0 0 1 7 1 2 5 1 0 1 0 0 0 1 0 0 0 3 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 1 1 1 3 2 2 2 3 2 2 4 3 2 1 1 4 7 3 9 3 5 1 2 2 1 2 23 63 78 89 18 10 18 18 30 100 39 22 18 4 2 2 1 2 1 1 3 1 1 1 1 1 1 4 4 3 1 2 1 1 1 1 2 2 1 2 2 1 1 1 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 t 1H J 21 \| 73 73 dt 1H J 9 20 \| 65 65 d 1H J 20 \| 47 47 dd 2H J 9 55 \| 43 42 t 1H J 55 \| 24 24 s 3H \| 20 20 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC(=O)c1c(Cl)cnc(OCCN(C)C)c1Cl)C2=O	ir: 10 14 9 7 8 4 17 11 7 14 18 11 14 9 9 5 7 4 6 5 4 8 16 10 8 8 10 9 8 21 23 36 9 2 3 3 7 4 7 8 10 20 7 7 4 9 6 3 3 3 6 3 3 5 4 2 3 4 4 3 3 5 4 4 30 27 26 35 21 13 6 39 14 5 3 1 5 4 5 6 14 38 3 0 75 100 16 21 3 14 7 5 6 13 9 10 4 5 8 6 3 6 15 8 22 15 36 14 14 8 4 5 2 6 17 10 16 6 8 13 14 14 7 11 8 6 8 7 6 4 9 5 13 5 18 21 31 4 3 1 3 14 22 5 3 4 3 9 26 4 3 3 12 5 2 3 21 3 2 3 2 8 15 4 3 2 2 2 2 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 2 2 2 3 3 2 2 3 3 3 3 3 2 3 3 6 4 7 10 12 10 15 5 2 2 2 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 82 s 1H \| 74 74 d 1H J 22 \| 70 70 dd 1H J 9 22 \| 62 62 s 2H \| 44 44 t 2H J 75 \| 38 38 s 3H \| 35 34 dtd 1H J 9 68 136 \| 30 30 t 2H J 75 \| 25 25 s 5H \| 13 13 d 7H J 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1sc(-c2cccnc2)nc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1	ir: 7 7 11 17 4 13 9 3 1 4 4 7 3 4 6 3 6 6 7 4 5 4 6 4 3 5 7 8 9 49 8 2 7 17 15 14 8 8 17 4 3 5 5 3 4 5 8 42 22 11 7 2 4 6 33 1 8 10 3 1 5 7 9 12 9 6 7 4 11 29 13 3 5 6 4 2 5 14 3 11 16 3 4 3 6 10 11 4 6 8 9 8 5 6 4 9 14 5 1 2 4 14 19 21 11 5 5 6 8 5 3 20 25 10 10 4 11 13 3 4 6 4 4 15 11 7 5 7 6 2 2 5 5 9 3 7 10 6 6 13 11 10 2 4 4 3 1 6 6 2 5 9 5 33 7 5 3 2 4 21 32 4 2 7 5 1 2 5 2 0 2 5 2 0 2 4 2 0 3 4 2 0 3 4 2 1 3 4 2 1 3 4 1 1 3 4 1 1 3 3 1 1 4 3 1 1 3 3 1 1 4 3 1 2 4 3 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 3 4 2 1 3 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 4 3 1 1 3 3 1 2 4 3 0 2 4 3 0 2 4 3 1 4 6 5 2 7 14 16 59 100 22 16 6 4 4 4 3 3 3 3 2 3 3 2 1 3 4 2 3 4 4 3 7 6 17 34 7 5 4 3 3 4 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 89 89 d 2H J 18 \| 87 86 dd 1H J 17 48 \| 82 81 dt 1H J 18 82 \| 79 79 t 1H J 22 \| 78 77 m 2H \| 76 76 d 1H J 87 \| 75 74 m 2H \| 72 72 m 2H \| 26 26 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](Oc1cccc2ncnc(Nc3ccc4c(cnn4Cc4ccccn4)c3)c12)C(N)=O	ir: 1 1 1 3 1 2 3 4 2 2 3 3 6 4 7 18 8 2 9 4 6 6 5 3 1 5 8 9 4 13 17 37 2 28 27 39 21 8 14 5 6 6 3 4 4 3 2 3 1 1 1 2 4 5 13 30 6 4 4 2 4 3 1 2 1 1 2 2 3 6 6 1 1 3 2 1 2 2 2 4 4 7 2 1 1 1 1 2 4 11 3 2 1 2 9 2 1 2 4 25 2 2 1 1 1 1 6 12 4 3 6 2 2 2 6 11 2 2 1 2 1 2 1 2 2 1 1 2 1 1 3 6 9 2 1 6 17 5 9 3 4 24 8 2 8 8 8 2 5 3 3 3 2 9 10 41 13 39 39 10 12 26 5 100 4 3 12 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 2 1 1 1 1 4 7 3 13 40 32 7 2 1 1 1 1 0 1 2 0 0 1 2 1 2 10 19 3 1 3 4 5 5 13 27 22 9 14 39 46 25 3 3 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 93 93 s 1H \| 86 86 m 2H \| 80 80 d 1H J 18 \| 78 78 dd 1H J 11 75 \| 77 76 m 2H \| 76 76 t 1H J 19 \| 76 75 dd 1H J 75 86 \| 75 74 dd 1H J 21 85 \| 73 73 ddd 1H J 13 41 73 \| 72 72 dq 1H J 11 66 \| 70 70 dd 1H J 12 87 \| 68 68 s 2H \| 57 56 d 2H J 7 \| 49 48 q 1H J 57 \| 14 14 d 3H J 55	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOc1ccc(C(C)(CC(=O)OC)NC(=O)CC#N)cc1	ir: 7 6 3 2 3 4 4 3 5 16 6 7 6 5 8 5 10 8 2 2 2 2 1 2 1 3 2 5 7 5 6 6 9 16 57 27 20 14 8 11 9 10 4 4 5 4 2 3 1 5 5 8 14 12 19 32 50 36 9 4 2 3 6 2 21 4 9 16 22 9 5 0 2 3 2 3 3 3 1 0 1 1 0 1 1 2 3 1 2 1 2 4 2 2 2 2 2 4 5 6 4 3 11 7 7 4 2 1 2 3 2 11 9 14 3 5 6 7 19 12 9 10 8 4 5 3 3 3 2 3 10 10 8 3 3 6 6 4 3 1 4 10 11 100 93 76 83 22 8 15 7 25 9 12 7 2 1 1 1 2 1 1 2 5 1 0 1 1 1 0 1 1 0 0 1 1 0 0 0 2 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 1 1 2 2 3 3 5 7 6 9 5 4 4 4 4 5 15 12 12 43 87 20 13 5 1 3 4 2 0 1 1 0 0 1 2 0 1 2 4 6 6 11 17 29 26 14 2 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 80 80 s 1H \| 73 72 m 2H \| 69 68 m 2H \| 40 40 t 2H J 64 \| 37 36 s 1H \| 36 36 s 3H \| 35 34 m 3H \| 18 17 m 5H \| 15 14 h 2H J 69 \| 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(NC1CC=CCC2CCC(C(=O)O)N2C1=O)c1ccccc1	ir: 1 1 1 3 4 1 2 3 2 2 2 4 1 8 16 5 10 3 14 37 100 16 10 2 1 5 3 2 2 4 2 5 17 7 5 4 10 47 31 4 12 4 6 1 1 3 1 1 2 3 1 2 1 3 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 3 4 2 2 0 5 10 3 10 37 16 9 5 10 4 5 6 2 1 2 1 2 3 0 1 1 0 1 1 1 4 3 1 2 1 3 5 2 2 4 6 4 2 6 5 15 5 4 2 1 1 1 3 3 3 2 3 5 1 6 3 1 4 24 5 17 2 2 2 1 5 4 3 57 3 7 25 15 20 6 1 0 1 1 1 1 1 2 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 1 0 0 0 0 0 0 0 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 1 0 0 0 1 1 2 1 1 2 1 2 2 2 2 3 4 13 7 28 47 5 2 3 1 0 1 2 1 10 32 12 2 1 1 1 1 2 1 1 0 0 0 4 8 83 8 4 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; 1HNMR: 78 78 m 2H \| 76 76 d 1H J 86 \| 75 75 m 1H \| 75 74 m 2H \| 55 54 ddddt 2H J 14 28 56 102 116 \| 46 45 dtd 1H J 18 66 85 \| 45 44 t 1H J 55 \| 43 42 m 1H \| 25 23 m 2H \| 23 22 m 1H \| 22 20 m 4H \| 19 18 ddt 1H J 51 68 121	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2cc3c(n2-c2ccccc2C)CCNC3)cc1	ir: 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 1 1 1 2 2 1 1 1 3 2 2 4 2 2 2 2 2 1 2 5 2 1 4 51 4 5 5 2 2 2 2 4 4 2 1 2 3 3 3 2 2 3 2 2 2 1 2 2 2 1 1 1 2 1 1 1 2 2 2 2 1 1 2 1 1 1 2 5 2 1 1 2 1 1 1 2 6 3 1 10 4 4 2 2 3 3 2 2 2 2 3 2 2 2 2 2 1 5 3 1 2 2 2 1 1 2 2 1 1 6 2 3 1 1 2 2 6 3 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 2 1 1 2 3 3 2 6 13 10 4 2 2 2 1 2 2 1 1 1 2 1 1 2 3 1 0 15 100 3 3 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: 76 75 m 2H \| 75 74 td 1H J 21 63 \| 74 73 dd 1H J 12 65 \| 73 72 m 2H \| 70 69 m 2H \| 59 59 t 1H J 9 \| 40 39 dd 2H J 9 38 \| 38 38 s 2H \| 31 31 m 2H \| 29 29 ddd 3H J 10 36 48 \| 23 22 d 3H J 6	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc2nc(Cl)c(NCC(=O)C3CCCC3)nc2cc1C	ir: 4 6 13 7 15 7 6 21 27 24 22 23 28 24 15 5 9 6 40 29 12 12 15 7 6 6 4 14 40 18 11 7 14 5 4 7 4 6 7 8 5 4 3 6 4 2 4 5 3 0 10 7 4 2 4 9 3 1 3 10 5 13 3 6 4 11 13 6 7 17 15 27 10 2 4 5 3 2 4 4 2 3 4 5 11 6 4 4 2 3 21 6 1 2 4 3 1 2 3 3 2 4 7 9 31 46 8 11 12 7 13 9 1 7 11 4 3 13 15 13 2 6 13 14 21 18 18 16 6 16 17 21 41 7 14 7 17 25 18 6 3 13 5 2 2 4 4 2 32 8 5 4 3 4 7 100 23 5 3 2 3 4 3 1 2 4 7 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 3 4 2 1 3 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 3 1 2 4 2 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 3 4 2 1 3 3 2 1 3 4 2 1 3 3 2 1 3 3 2 2 3 3 2 1 3 3 1 2 4 3 2 4 4 3 3 4 5 4 2 4 5 5 3 5 12 11 4 6 14 18 3 3 4 3 1 3 4 2 1 3 4 2 2 3 4 3 3 4 5 6 13 22 55 65 40 15 8 3 2 5 4 2 1 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 85 85 s 1H \| 79 78 d 1H J 7 \| 66 66 t 1H J 65 \| 43 43 d 2H J 65 \| 39 39 s 3H \| 28 27 td 1H J 31 53 \| 25 25 s 3H \| 20 19 m 2H \| 18 17 m 5H \| 16 15 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(Oc2cccc(-c3ccncn3)c2C#N)c(Cl)c1	ir: 3 2 2 3 7 2 1 2 4 2 1 3 3 6 2 3 4 3 2 3 2 2 1 2 3 4 4 3 3 7 2 3 3 21 9 15 15 12 4 8 15 9 2 5 6 3 26 10 6 6 9 3 3 12 17 10 3 0 2 3 2 0 2 3 9 4 3 6 3 1 12 11 6 3 12 13 4 2 3 3 5 8 9 13 6 4 6 5 4 2 3 3 2 2 3 2 1 6 9 8 2 4 9 2 1 2 3 2 0 2 11 37 32 2 2 3 3 2 3 2 2 2 2 4 6 4 2 3 3 15 6 3 3 3 2 2 7 10 5 5 14 15 4 3 3 3 13 35 16 24 7 4 6 3 7 34 6 13 4 0 28 8 3 1 1 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 3 7 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 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 3 3 2 4 5 4 3 19 100 28 14 4 4 3 2 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1; 1HNMR: 92 92 d 1H J 16 \| 88 88 dd 1H J 17 45 \| 79 78 dd 1H J 15 44 \| 77 76 dd 1H J 11 86 \| 75 74 m 1H \| 73 73 d 1H J 14 \| 71 71 d 2H J 10 \| 71 70 dd 1H J 11 79 \| 23 23 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1nc(N2CCN(C(C)=O)CC2)ccc1N	ir: 0 2 2 3 2 5 2 3 2 13 14 8 14 8 6 4 4 6 4 3 4 6 9 9 5 3 2 1 1 2 2 1 1 2 2 1 1 2 4 6 10 4 3 2 2 3 2 1 1 1 1 1 5 4 5 2 1 3 2 1 1 2 2 1 2 2 2 1 2 3 4 2 2 3 3 2 2 2 2 4 3 2 1 1 1 2 1 2 3 3 5 3 2 3 3 5 6 9 5 2 4 2 1 2 3 2 1 2 3 3 0 2 3 2 1 1 2 2 2 2 2 2 2 3 6 4 7 3 3 1 3 4 3 2 1 6 3 9 3 4 4 6 9 3 4 3 12 27 22 4 3 7 5 4 3 3 54 12 6 2 2 3 3 2 1 0 1 2 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 0 2 3 2 5 7 6 6 3 3 3 2 1 1 2 1 0 1 2 1 0 1 2 1 1 2 2 7 3 2 2 1 0 2 2 0 0 5 100 49 82 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1; 1HNMR: 71 71 d 1H J 86 \| 68 67 d 1H J 86 \| 47 46 s 2H \| 43 42 q 2H J 68 \| 37 36 dd 4H J 48 58 \| 35 34 m 4H \| 21 21 s 2H \| 15 14 t 3H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=O)Nc1ccccc1NC(=O)CC	ir: 1 1 1 1 2 4 24 11 0 1 2 1 1 2 3 2 4 2 2 3 2 2 2 2 2 1 4 4 2 7 7 4 5 8 5 13 6 6 10 8 7 50 62 21 41 18 20 15 12 13 17 5 7 6 3 4 1 0 1 3 3 5 1 2 1 0 1 2 1 2 15 4 1 2 4 3 3 1 1 2 0 0 2 2 2 1 2 1 0 1 2 4 7 5 3 2 2 2 3 2 1 2 25 16 3 1 2 2 1 1 1 2 1 3 6 10 15 11 5 4 1 2 3 1 0 1 2 1 1 2 4 1 1 2 3 2 13 18 15 8 6 6 4 7 44 90 96 20 21 61 60 24 14 9 5 12 29 5 1 0 4 2 1 1 1 1 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 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 2 2 1 2 1 1 2 2 2 2 3 5 4 9 9 14 8 15 51 17 4 2 4 4 1 1 2 1 1 1 2 1 1 2 2 4 4 3 4 14 29 36 100 41 21 3 2 1 1 4 2 1 1 1 1 0 1 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 90 90 s 2H \| 76 75 dd 2H J 35 61 \| 73 72 m 2H \| 26 25 q 4H J 71 \| 12 11 t 6H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nnc(SCC2=C(C(=O)O)N3C(=O)C(NC(=O)Cc4csc(=O)s4)C3SC2)n1	ir: 3 3 5 2 3 3 3 5 2 5 51 16 4 6 7 3 1 3 3 4 11 100 25 7 5 8 5 6 12 12 7 14 6 9 13 5 7 2 2 4 9 5 7 3 4 4 2 3 1 1 2 2 4 3 2 2 3 3 5 3 3 2 2 3 2 0 1 1 0 0 1 1 1 3 8 48 6 10 30 5 2 2 2 3 7 5 7 6 2 4 2 5 2 2 3 9 0 3 3 1 1 1 2 2 1 2 5 2 3 3 7 16 8 6 12 3 2 2 2 1 1 2 2 5 4 6 6 18 11 5 8 15 22 18 17 62 22 3 9 2 1 7 7 5 4 20 22 12 11 21 15 15 5 2 2 21 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 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 1 1 1 1 1 1 1 1 2 2 8 5 3 2 4 5 3 9 10 2 1 0 4 11 10 4 2 2 1 1 43 50 3 3 1 1 0 1 2 2 2 3 2 5 14 27 3 3 4 2 2 0 1 1 0 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 72 d 1H J 75 \| 70 70 t 1H J 13 \| 54 53 dd 1H J 52 74 \| 52 52 d 1H J 53 \| 43 43 s 3H \| 43 42 s 2H \| 37 37 d 1H J 150 \| 36 35 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOc1nc(N)c2[nH]c(Br)nc2n1	ir: 2 2 2 2 1 1 4 2 3 2 3 1 2 2 2 1 1 3 5 2 3 28 17 8 5 14 8 9 6 7 4 4 2 2 4 2 2 2 3 2 4 33 27 58 13 5 4 7 2 6 2 2 4 2 4 3 3 2 2 3 1 2 1 2 4 2 3 2 1 2 2 2 2 5 5 3 2 3 7 3 1 1 1 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 4 1 1 1 1 1 0 2 3 3 1 1 1 1 1 2 2 2 3 7 3 4 4 1 2 2 3 2 1 2 0 2 3 15 58 3 1 2 3 3 34 5 2 5 4 4 91 5 3 3 4 3 100 45 5 8 1 1 32 10 1 1 1 2 1 1 1 1 1 0 1 1 0 1 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 1 0 1 2 1 3 6 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 3 11 13 3 3 2 2 3 4 9 16 2 4 18 21 1 1 2 2 1 2 1 1 0 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 68 67 s 2H \| 43 43 t 2H J 81 \| 19 18 tt 2H J 70 83 \| 15 14 h 2H J 69 \| 10 9 t 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cc1cc(S(=O)(=O)c2ccc(CCNCc3ccccc3)cc2)ccc1O	ir: 4 3 3 4 3 4 3 10 16 17 17 12 4 12 20 12 13 16 21 8 8 11 40 5 9 3 13 3 4 11 56 13 4 6 4 5 12 10 27 100 19 36 26 22 3 20 8 13 4 6 4 2 3 10 22 18 9 6 3 2 2 4 3 11 20 19 7 5 13 7 4 2 3 14 7 3 3 3 3 2 3 30 11 19 9 48 11 4 10 18 6 5 31 35 64 13 6 16 13 7 9 5 3 5 1 7 9 15 58 6 3 4 6 28 11 6 5 3 6 9 10 13 9 10 24 6 4 5 15 13 3 5 5 5 14 21 8 3 3 2 4 8 13 65 17 5 6 19 4 5 1 6 4 3 9 3 2 1 1 3 2 6 2 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 2 2 1 2 1 2 2 2 3 2 1 2 3 2 2 2 4 3 0 4 15 14 15 67 66 44 21 27 62 36 19 3 1 3 5 2 0 2 2 2 3 3 4 37 78 34 9 2 1 3 3 1 1 3 2 0 1 3 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 78 78 m 3H \| 78 77 dd 1H J 22 97 \| 74 72 m 8H \| 69 69 d 1H J 97 \| 63 62 s 1H \| 42 42 dt 2H J 8 53 \| 42 41 q 2H J 66 \| 37 36 d 2H J 10 \| 33 32 q 2H J 51 \| 32 31 p 1H J 52 \| 29 29 tt 2H J 9 52 \| 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.
Cc1c(C(=O)OC(C)C)ncc2[nH]c3cccc(OCc4ccccc4)c3c12	ir: 3 5 3 3 6 3 4 13 2 7 15 24 10 15 6 4 5 4 4 6 4 6 5 5 13 4 4 7 3 3 13 9 5 5 3 4 12 15 8 18 100 28 11 1 3 14 21 35 10 7 4 0 3 4 2 0 3 5 3 3 3 4 5 8 4 5 4 4 8 8 3 0 4 7 10 13 7 15 8 6 6 15 12 4 4 4 3 4 13 9 3 2 3 4 6 2 4 4 4 10 5 4 3 14 7 5 1 4 67 9 10 6 3 3 3 2 4 7 16 5 13 4 4 5 10 7 17 9 19 37 8 8 8 4 2 46 10 29 29 37 6 8 25 23 15 8 5 7 18 6 5 10 4 3 2 2 2 2 3 43 7 1 4 3 4 2 2 3 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 3 3 3 3 3 2 3 2 4 3 4 7 5 4 7 32 15 19 55 49 18 7 4 5 3 3 3 4 2 2 2 2 3 3 2 2 2 2 2 2 2 2 12 20 30 12 5 6 4 4 3 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 92 92 s 1H \| 74 74 ddt 2H J 8 16 67 \| 74 73 m 2H \| 73 73 m 1H \| 72 72 m 2H \| 68 68 dd 1H J 18 68 \| 53 52 hept 1H J 57 \| 52 51 d 2H J 9 \| 26 26 s 3H \| 13 13 d 7H J 59	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(/C=C/c1ccccc1)N[C@@H]1CN2CCC1CC2	ir: 1 3 2 2 5 4 7 2 1 4 3 2 1 2 5 1 1 9 3 2 10 9 10 3 2 1 3 3 5 23 4 4 5 7 3 4 12 4 6 11 2 100 16 7 5 6 18 4 2 4 4 1 1 3 1 0 1 2 2 1 2 2 1 1 2 3 2 1 2 3 2 1 2 3 2 2 11 7 5 15 11 63 11 6 2 1 2 2 1 1 2 5 3 1 1 2 2 6 12 2 4 5 6 5 4 2 4 6 1 2 2 3 4 1 3 2 2 1 3 5 2 2 2 2 3 2 7 5 4 5 7 2 3 3 3 39 2 2 1 2 2 4 3 7 51 15 38 12 3 4 2 2 10 3 1 2 1 1 2 1 1 1 1 1 1 1 2 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 4 2 4 4 1 4 4 29 17 10 25 10 4 4 2 2 2 2 2 1 2 1 1 2 2 1 1 1 2 1 1 2 3 6 38 24 4 4 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; 1HNMR: 76 76 m 1H \| 76 75 m 2H \| 74 73 m 3H \| 65 64 d 1H J 163 \| 57 57 d 1H J 88 \| 40 39 ddd 1H J 32 50 86 \| 31 30 ddd 2H J 48 74 120 \| 30 29 ddd 3H J 47 73 117 \| 27 26 dd 1H J 33 115 \| 21 20 dp 1H J 41 50 \| 19 18 m 2H \| 17 16 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C)c(Oc2ccc(C#N)cc2S(=O)(=O)N2CCNCC2)c1	ir: 3 3 1 6 9 19 4 4 7 13 5 14 5 4 10 5 9 14 4 3 4 2 1 4 3 2 3 8 27 14 8 12 7 14 5 6 5 12 16 4 5 2 4 13 20 2 3 4 3 12 27 24 43 12 23 67 12 5 6 8 5 5 27 9 9 5 45 24 51 36 9 11 7 3 3 2 4 2 4 7 15 15 29 22 5 11 100 6 4 7 3 2 4 6 8 9 3 10 40 24 6 5 3 2 3 7 6 2 4 3 3 4 11 7 30 71 25 18 11 5 1 3 4 4 4 13 7 13 10 7 4 3 3 3 3 1 2 2 3 1 4 33 3 8 4 2 3 8 33 54 7 3 2 6 7 2 1 3 2 2 2 4 3 1 1 3 2 0 2 3 2 0 2 3 2 1 2 3 1 0 2 5 21 3 2 1 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 2 4 4 2 2 4 3 3 3 5 5 6 16 17 38 21 6 4 4 4 1 2 3 2 2 3 3 2 2 3 3 3 3 12 95 19 5 5 4 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 82 81 d 1H J 22 \| 77 77 dd 1H J 21 83 \| 73 72 d 1H J 82 \| 71 71 dq 1H J 10 74 \| 68 68 ddd 1H J 9 23 81 \| 67 67 m 1H \| 32 32 m 4H \| 29 29 ddd 4H J 34 50 59 \| 23 23 d 3H J 8 \| 22 22 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1c[nH]c2ccc(Cl)cc12	ir: 1 2 4 3 1 2 2 2 1 2 3 2 1 2 8 3 1 2 4 2 1 4 7 42 28 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 4 5 4 2 2 2 2 1 2 2 2 1 2 4 5 3 8 3 2 1 2 2 1 1 2 4 21 6 2 2 2 2 2 2 1 1 2 4 3 2 3 2 1 1 2 2 2 21 8 6 1 2 2 2 2 7 3 2 1 2 2 2 1 3 4 8 1 2 2 2 1 2 2 2 1 2 2 2 1 2 4 3 2 2 2 2 1 3 3 3 5 9 6 2 2 2 2 2 2 2 3 4 16 2 2 4 4 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 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 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 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 4 9 5 4 5 3 3 2 2 4 100 55 17 0 2 3 1 1 2 2 1 1 2 3 1 1 16 7 5 5 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 98 98 d 1H J 71 \| 81 81 d 1H J 70 \| 78 78 d 1H J 24 \| 74 74 d 1H J 73 \| 73 73 dd 1H J 26 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2cnccn2)c1=O	ir: 5 9 17 6 3 4 6 16 18 5 4 12 53 12 4 4 9 5 5 8 12 4 10 14 4 5 7 7 6 12 8 10 15 26 36 6 8 55 25 30 33 100 79 25 13 17 11 13 7 8 6 8 8 5 6 10 5 5 6 6 5 9 6 4 23 18 7 6 25 22 5 13 67 18 6 5 5 7 6 4 5 6 26 15 5 5 3 3 4 4 4 3 4 4 6 8 5 5 3 3 4 4 3 3 3 4 3 5 19 6 5 6 43 6 4 6 13 9 21 9 11 19 13 6 9 6 9 11 8 4 4 12 13 6 9 20 95 41 0 11 81 8 16 4 11 6 4 4 5 78 9 45 8 14 10 90 5 4 4 4 26 3 3 7 14 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 4 4 4 3 4 4 3 4 4 4 4 3 5 7 10 17 12 10 17 17 7 6 5 4 4 4 4 3 3 3 3 3 3 4 4 3 4 4 8 9 8 15 18 34 46 53 44 21 7 4 4 5 5 3 3 4 5 4 4 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4; 1HNMR: 93 93 s 1H \| 86 86 d 1H J 14 \| 84 83 dd 1H J 13 33 \| 82 82 d 1H J 33 \| 80 79 m 2H \| 76 75 m 2H \| 75 74 m 1H \| 41 40 q 2H J 79 \| 25 25 s 3H \| 14 14 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccccc1CCCOc1ccccc1	ir: 1 2 4 2 2 1 1 1 1 2 2 7 2 3 6 1 0 0 1 0 0 1 1 0 1 1 0 0 1 5 2 1 1 1 1 0 1 1 2 2 10 8 35 6 3 2 0 2 1 0 0 0 0 0 1 1 0 0 0 2 0 1 0 1 1 1 2 4 4 6 2 1 3 1 2 3 1 1 3 10 1 0 1 0 1 0 0 0 0 1 1 5 3 1 0 0 0 0 1 0 2 1 0 0 1 1 1 1 4 1 2 3 6 2 1 2 8 3 3 5 1 1 0 0 1 0 0 1 1 1 0 1 1 0 5 10 8 4 1 1 0 2 7 15 6 29 5 4 1 2 9 5 6 2 1 1 0 1 0 13 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 0 1 1 0 1 1 1 1 1 1 1 1 2 2 0 6 7 8 100 13 4 3 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 \| 74 73 m 2H \| 73 72 m 2H \| 73 72 ddt 1H J 9 35 53 \| 70 70 tt 1H J 14 75 \| 69 68 m 2H \| 41 40 m 2H \| 39 39 s 2H \| 29 28 td 2H J 9 86 \| 20 19 tt 2H J 62 86	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(N2CCOCC2)cc1NC(=S)c1nc2ccccc2[nH]1	ir: 5 12 5 7 7 5 1 2 5 5 10 8 1 6 4 1 4 3 13 5 4 11 4 2 2 2 8 3 8 30 56 20 9 13 16 6 9 11 5 9 15 17 39 45 15 21 9 5 19 1 3 3 4 100 35 12 3 3 3 2 2 2 3 11 9 6 19 3 9 13 10 9 10 26 5 11 9 9 8 2 1 1 2 3 2 9 20 3 1 4 5 3 3 2 5 4 3 5 12 5 2 1 2 2 8 11 35 3 1 5 10 5 3 4 22 4 3 2 3 2 7 7 5 5 2 3 2 4 2 3 2 5 6 8 6 73 54 8 33 3 1 10 2 5 2 10 55 3 4 30 4 14 18 12 10 12 28 5 2 1 1 3 3 1 17 4 2 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 0 1 1 0 1 1 1 1 1 1 0 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 1 1 1 6 3 2 14 18 22 53 81 5 8 5 5 1 2 3 2 1 1 2 1 1 1 2 1 4 2 3 2 14 20 50 93 83 70 20 6 2 2 2 2 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 78 77 m 1H \| 77 76 m 1H \| 73 72 m 2H \| 72 71 d 1H J 21 \| 69 68 d 1H J 91 \| 68 68 dd 1H J 22 90 \| 39 39 s 3H \| 39 38 m 5H \| 34 34 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(COc1ccccc1)CS(=O)(=O)N1CCc2ccc(Cl)cc2C1	ir: 10 11 6 22 15 11 15 10 19 8 14 11 11 4 1 4 2 1 3 1 1 1 0 1 1 1 1 2 2 3 2 3 1 2 1 1 1 3 6 12 100 28 19 12 10 5 1 2 3 4 4 4 8 3 10 3 2 4 5 2 10 5 3 3 3 7 17 26 49 41 6 4 3 2 3 6 3 7 27 83 16 3 6 36 9 28 9 23 73 35 2 14 47 17 6 3 3 4 14 13 7 4 3 3 10 9 5 11 3 1 2 1 0 2 4 2 2 5 11 5 6 5 11 5 8 12 13 12 13 3 2 3 2 4 6 9 5 3 1 4 4 5 32 24 21 6 7 2 5 9 4 4 10 4 2 1 1 1 1 4 2 2 1 1 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 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 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 2 4 11 5 1 3 4 4 2 5 7 10 37 39 37 23 11 6 2 3 3 2 1 1 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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; 1HNMR: 73 72 m 3H \| 72 71 dd 1H J 26 84 \| 70 69 m 4H \| 49 48 s 2H \| 42 42 d 2H J 10 \| 40 40 s 2H \| 34 33 m 2H \| 29 28 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1cccc(C(=O)Nc2nnn[nH]2)c1O	ir: 3 2 1 3 5 3 1 3 5 3 2 2 3 1 1 2 3 2 1 2 3 2 5 20 5 1 1 3 3 2 1 3 6 5 2 3 4 10 10 5 6 8 7 5 6 2 4 8 14 22 11 3 3 8 10 22 21 6 3 5 3 1 2 4 2 1 4 5 3 3 6 4 1 0 2 3 2 1 3 3 2 1 2 3 6 2 3 2 8 2 3 2 2 3 26 14 1 2 6 4 1 2 5 17 2 2 9 8 8 4 4 3 0 2 4 2 1 4 6 3 1 2 3 4 3 5 6 2 1 3 3 1 1 4 6 9 4 3 3 4 4 4 3 5 3 2 31 10 13 7 4 2 5 15 3 3 13 26 5 1 20 3 3 1 2 3 3 0 2 3 2 0 2 3 2 1 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 1 3 2 1 2 3 2 1 2 3 6 6 4 15 11 4 6 100 30 6 3 3 2 1 2 3 1 1 2 3 2 1 2 3 3 9 8 3 2 16 32 16 3 2 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1; 1HNMR: 79 78 dd 2H J 12 83 \| 77 77 dd 2H J 12 85 \| 72 72 m 2H \| 26 26 s 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cc1ccc(Cl)cc1F	ir: 15 15 6 10 9 6 4 5 6 6 6 7 4 6 8 9 4 4 4 4 4 4 5 4 12 30 5 6 6 3 3 4 4 3 8 11 5 3 3 5 5 5 4 6 7 11 6 6 6 4 4 8 5 4 64 51 25 31 8 0 5 6 4 6 38 42 68 56 7 5 4 4 3 3 4 8 7 4 4 4 3 3 6 5 4 5 8 5 3 10 9 31 58 17 13 20 20 9 10 14 19 23 11 4 5 4 4 3 4 4 3 5 7 39 15 4 9 8 12 28 60 27 10 8 6 10 19 8 5 9 5 8 5 4 3 4 4 4 4 4 8 28 100 37 79 48 13 11 49 65 11 18 45 27 8 3 4 5 4 7 9 6 4 3 3 4 3 3 3 4 3 3 3 4 3 3 5 4 4 4 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 4 4 3 4 6 6 5 6 5 7 14 13 6 7 4 8 12 12 27 60 28 32 69 93 21 20 26 14 4 6 6 5 3 4 4 4 3 3 4 3 3 6 5 3 4 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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: 74 73 ddt 1H J 10 46 78 \| 72 71 m 2H \| 37 37 dd 2H J 8 32 \| 37 36 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1ccc2c(c1)Cc1ccccc1-2	ir: 1 1 3 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 2 2 1 1 1 1 1 3 1 1 2 2 6 30 2 0 1 1 1 0 1 1 1 3 28 8 2 2 1 1 1 1 1 2 1 1 1 2 5 5 5 2 1 1 1 2 1 1 1 1 1 1 9 11 2 1 3 3 1 1 1 1 1 1 1 2 3 1 1 1 2 9 0 1 1 1 1 1 1 1 1 1 1 1 0 1 5 1 1 1 1 1 1 1 1 4 2 1 1 1 1 1 1 1 1 5 6 4 17 5 22 3 1 2 1 1 1 1 1 2 7 2 3 1 5 1 1 4 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 1 2 2 3 4 7 9 13 100 15 6 3 3 4 1 2 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; 1HNMR: 78 77 m 2H \| 76 76 dd 1H J 12 73 \| 75 75 d 1H J 25 \| 74 73 m 2H \| 73 73 td 1H J 13 74 \| 40 40 d 2H J 9	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CCCN1CCc1ccc2cc(-c3ccc(C#N)cc3)ncc2c1	ir: 1 5 9 9 2 6 8 5 3 5 26 18 6 6 7 6 2 5 10 12 17 5 5 3 6 14 14 10 6 0 8 100 4 8 7 7 3 6 4 2 2 5 5 3 7 9 4 2 3 6 4 2 5 10 11 9 29 22 34 3 5 6 5 6 10 17 24 35 19 15 8 19 13 6 4 3 7 14 6 4 15 23 9 8 10 14 12 12 12 10 9 4 11 15 10 3 8 6 4 7 9 7 7 8 13 37 3 4 7 7 3 6 7 6 7 9 6 4 5 8 10 10 9 7 25 31 26 8 7 3 0 10 10 3 3 12 21 15 5 5 5 3 3 12 8 6 12 32 16 8 10 10 8 7 7 20 9 10 5 6 4 2 3 5 3 1 3 5 13 14 3 6 3 0 3 5 3 1 3 5 3 1 9 6 2 1 4 5 2 1 4 5 2 1 4 4 2 1 4 5 1 2 4 4 1 2 4 4 1 2 5 4 1 2 5 3 1 2 5 3 1 3 5 3 1 3 5 3 0 3 5 3 0 3 5 2 1 3 5 2 1 3 5 2 1 3 4 2 1 4 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 5 4 1 2 6 5 3 6 7 6 1 6 10 7 20 15 24 77 71 80 17 17 4 6 10 6 4 4 5 3 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 5 3 1 3 4 3 1 3 4 3 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4; 1HNMR: 91 91 d 1H J 21 \| 82 82 d 1H J 27 \| 81 80 m 2H \| 79 79 dd 1H J 21 82 \| 78 77 m 2H \| 76 76 td 1H J 7 17 \| 73 73 m 1H \| 29 27 m 6H \| 26 26 m 1H \| 18 16 m 3H \| 16 15 ddt 1H J 50 65 117 \| 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.
CC(c1ccc2[nH]c(C(F)(F)F)nc2c1)n1ccnc1	ir: 4 2 3 3 2 3 2 3 1 1 3 3 1 2 1 1 1 1 1 1 2 1 2 4 4 3 4 5 6 2 16 10 4 4 4 3 4 1 1 1 2 4 3 7 3 3 1 1 3 1 1 3 3 11 16 10 2 1 1 0 2 3 2 3 4 4 7 14 10 6 4 3 4 9 3 1 1 2 7 2 2 5 6 7 6 6 10 2 6 4 1 8 3 1 17 17 5 23 30 16 8 3 2 22 33 2 8 5 100 3 4 7 6 8 35 25 15 11 3 3 10 9 6 6 2 1 1 6 7 5 5 3 2 7 5 1 2 1 1 1 4 2 1 1 6 2 2 5 1 1 0 1 2 4 15 14 7 2 1 1 1 0 1 1 0 2 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 2 1 1 1 1 0 1 3 2 1 6 9 6 6 7 15 33 35 47 61 37 16 4 7 1 2 1 1 1 2 1 1 0 0 1 1 2 1 2 1 1 6 17 15 47 14 4 1 1 1 0 0 0 0 1 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 97 97 q 1H J 9 \| 77 77 dd 1H J 9 15 \| 76 76 m 1H \| 74 74 m 2H \| 71 71 m 1H \| 70 70 dd 1H J 17 39 \| 56 55 qt 1H J 7 51 \| 17 17 d 3H J 51	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ncnn2c(CCCCN3CCCC3)cc(-c3ccc4cn(Cc5ccccc5)nc4c3)c12	ir: 9 2 2 3 4 3 3 6 3 3 3 10 9 4 4 1 2 2 9 5 12 8 4 3 3 4 5 3 15 7 9 8 10 9 5 4 4 4 2 5 13 5 2 1 2 2 3 2 2 2 1 1 1 1 7 4 2 2 2 1 1 1 1 1 3 5 6 2 4 5 3 3 6 6 5 1 2 2 10 4 2 1 2 1 2 2 2 5 3 3 1 1 2 4 1 2 3 15 15 4 1 1 1 1 2 4 2 2 1 2 5 4 2 1 2 2 2 3 2 4 3 1 2 1 2 2 3 2 2 1 1 1 2 5 12 10 2 1 1 2 1 2 4 3 10 11 2 2 2 5 4 17 24 9 8 62 6 5 1 8 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 4 2 1 2 1 1 1 1 2 2 6 5 7 16 11 11 3 6 1 1 1 0 1 1 1 0 1 1 1 0 3 20 4 2 1 1 0 1 1 1 1 1 3 11 100 8 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 84 84 s 1H \| 82 81 dd 1H J 17 82 \| 80 80 m 1H \| 77 77 m 2H \| 73 72 m 7H \| 62 62 d 1H J 11 \| 54 53 q 2H J 9 \| 28 27 td 2H J 9 61 \| 27 26 td 4H J 19 37 \| 25 25 t 2H J 58 \| 19 18 p 4H J 19 \| 17 16 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(CNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)OC	ir: 1 2 1 1 1 2 3 2 3 3 3 2 3 1 1 1 0 0 1 0 0 1 1 1 3 1 1 1 0 1 1 0 1 1 1 0 0 2 5 5 11 9 5 2 2 1 2 1 1 0 1 1 1 0 1 1 1 1 1 2 2 0 1 1 1 2 1 1 1 2 1 0 1 1 1 1 0 1 2 1 1 1 1 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 1 1 1 2 4 3 3 2 1 1 1 1 1 1 3 4 2 3 4 2 2 1 2 2 2 3 3 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 3 3 100 18 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 0 1 1 1 2 7 2 1 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 1 1 3 7 19 10 3 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 58 57 t 1H J 59 \| 57 56 d 1H J 81 \| 45 45 tt 1H J 15 37 \| 37 36 m 3H \| 35 34 dd 2H J 37 59 \| 34 33 m 9H \| 21 20 dddd 2H J 44 60 88 132 \| 18 17 dddd 2H J 44 60 88 132 \| 15 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(-c2ccc(O)cc2Cl)nnc1C1(c2cccs2)CCCC1	ir: 0 2 4 2 1 2 4 5 1 1 3 1 1 2 3 1 1 3 5 2 1 5 6 1 2 2 4 2 2 2 2 1 1 2 2 1 2 3 5 35 14 4 2 1 1 3 2 1 1 3 2 0 2 4 25 19 3 2 1 1 1 2 2 1 3 2 7 14 10 4 2 2 3 3 1 2 2 4 8 28 39 6 5 3 3 3 5 5 6 3 3 2 8 3 2 1 2 2 1 1 2 2 1 1 3 2 2 2 5 3 2 3 4 2 4 4 3 2 3 2 3 5 1 2 4 8 3 3 5 9 33 14 5 3 1 4 7 2 1 2 2 0 3 2 2 2 4 8 6 2 6 3 8 5 5 4 2 1 1 2 2 2 3 2 1 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 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 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 3 2 2 1 1 1 2 2 1 1 2 3 4 3 4 2 2 2 3 2 9 8 9 4 14 17 15 7 7 2 5 12 100 44 4 3 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 2 2 1 1 1 2 1 1 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 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 77 76 d 1H J 89 \| 73 72 dd 1H J 16 40 \| 72 71 d 1H J 22 \| 71 71 s 1H \| 70 70 dd 1H J 39 60 \| 69 68 m 2H \| 38 38 s 2H \| 24 23 m 2H \| 22 20 m 4H \| 20 19 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)CCCC(C)=O	ir: 1 1 1 10 1 1 1 1 1 4 16 36 36 42 2 3 3 11 2 1 2 1 1 18 18 1 1 1 1 1 1 1 1 1 0 2 8 7 3 2 1 1 1 2 10 13 6 2 2 6 1 0 1 1 1 0 1 1 2 2 1 2 2 1 2 5 3 2 9 86 20 20 7 3 3 5 1 0 1 1 1 1 1 0 1 1 1 1 10 19 6 3 2 2 6 4 1 4 5 4 1 1 1 1 1 1 1 2 1 3 4 24 26 9 12 5 13 23 23 13 5 9 22 45 10 6 6 37 21 6 3 3 3 6 16 14 13 4 5 7 13 100 84 16 7 4 3 0 1 2 1 1 1 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 2 3 10 7 5 4 12 16 8 6 5 6 3 9 12 11 12 55 15 11 5 2 2 2 4 2 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 26 25 m 4H \| 22 21 s 5H \| 18 17 p 2H J 83	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCC(O)CN1CCN2CCN(CC1)CCN(CC(O)CO)CC2	ir: 6 15 16 9 7 7 1 9 6 3 2 5 3 5 1 6 6 6 10 6 5 6 4 8 5 1 3 16 3 2 1 3 3 1 1 1 2 1 4 5 3 1 1 3 2 1 1 2 4 7 4 2 1 1 2 4 1 1 2 1 4 2 4 4 3 3 3 4 4 4 6 1 3 4 3 2 0 2 2 1 3 4 12 8 16 4 36 36 27 36 37 13 14 3 1 4 5 4 4 10 6 7 5 17 6 3 3 3 1 1 1 1 1 1 1 0 1 0 1 0 1 1 1 1 0 1 1 1 0 1 1 1 1 1 2 2 3 1 1 1 0 1 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 1 0 1 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 1 0 1 1 1 0 1 2 2 1 1 2 1 1 1 1 1 1 2 4 3 6 24 100 41 7 3 1 1 1 0 0 1 1 1 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 38 37 m 7H \| 37 36 m 2H \| 35 34 m 2H \| 28 28 m 2H \| 28 27 m 8H \| 27 26 m 14H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccc(-c2ccccc2)s1	ir: 19 15 8 18 22 20 49 21 19 30 8 31 19 12 0 17 18 9 13 14 16 8 5 20 18 5 7 18 24 27 23 23 15 6 10 18 16 4 11 38 59 26 12 16 23 6 15 22 17 5 7 15 10 1 8 17 14 4 23 31 11 4 16 22 50 12 76 20 39 22 25 22 12 27 41 17 27 59 89 75 55 17 22 66 21 17 19 22 56 23 55 52 6 8 17 13 3 6 15 11 4 8 52 100 8 9 15 10 1 8 16 9 1 10 18 12 10 11 18 10 1 13 29 25 31 13 20 9 5 11 16 6 2 13 22 33 6 12 13 5 4 12 14 29 47 17 11 4 6 18 41 8 6 13 10 2 5 13 9 3 6 13 8 1 6 14 8 1 7 14 7 0 7 14 7 1 8 14 6 1 8 13 6 1 9 12 5 2 9 12 5 3 10 11 4 3 10 11 4 4 11 10 3 4 11 10 3 4 12 9 2 5 12 9 2 6 12 8 2 6 13 8 1 6 13 7 1 7 14 7 1 8 13 7 1 8 13 6 2 8 12 6 2 9 12 5 3 10 11 5 3 10 11 4 4 10 10 4 4 11 10 3 4 11 10 3 6 12 9 5 8 13 9 4 8 15 10 5 9 14 12 6 17 34 22 11 32 27 28 9 15 14 8 3 8 12 7 3 8 11 6 3 9 11 5 3 9 10 5 4 10 10 4 4 10 10 4 5 10 9 4 5 11 9 3 5 11 8 3 6 11 8 3 6 12 8 2 7 12 7 2 7 12 7 2 7 12 7 2 8 11 6 3 8 11 6 3 8 11 6 4 9 10 5 4 9 10 5 4 9 10 4 5 10 9 4 5 10 9 4 5 10 8 4 6 11 8 3 6 11 8 3 6 11 7 3 7 12 7 2; 1HNMR: 78 78 m 2H \| 76 75 d 1H J 77 \| 75 74 m 5H \| 55 54 s 2H \| 37 37 t 2H J 48 \| 35 35 t 2H J 49 \| 34 34 s 3H \| 22 21 s 3H \| 19 19 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(c1ncnc2[nH]ncc12)[C@@H]1CCCNC1	ir: 2 1 1 15 2 2 2 3 2 7 4 5 3 2 5 2 3 10 7 2 2 2 4 5 4 3 3 1 1 6 4 6 46 8 9 32 10 7 2 4 2 3 12 1 37 3 6 1 2 4 8 8 4 6 5 5 2 6 3 3 2 2 2 1 2 1 2 10 6 3 2 1 2 2 1 2 3 3 2 2 2 8 1 3 7 4 9 70 4 5 2 4 5 7 4 6 4 3 4 32 9 3 1 11 1 1 3 2 3 2 3 11 37 16 4 15 26 8 6 4 2 3 6 9 5 12 13 13 20 5 2 3 2 2 1 3 2 4 1 5 4 0 0 2 2 11 4 2 1 1 0 1 1 0 1 6 34 22 100 26 13 5 2 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 2 1 1 1 2 3 4 2 1 2 1 1 1 1 1 1 1 2 1 1 2 1 2 2 2 2 3 6 24 55 7 5 2 2 13 7 13 10 5 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 84 s 1H \| 83 83 s 1H \| 40 39 ddtq 1H J 15 30 63 92 \| 32 32 d 3H J 14 \| 31 30 ddd 1H J 43 60 117 \| 29 28 m 4H \| 24 24 p 1H J 42 \| 21 20 m 1H \| 19 18 m 2H \| 18 16 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1(C)CC2C=CC1C2	ir: 10 37 8 3 10 19 2 3 3 3 5 24 6 33 42 7 2 3 11 4 3 2 2 5 5 18 15 3 8 2 3 2 2 2 2 3 4 2 2 2 2 2 2 5 2 2 2 2 2 2 2 2 2 2 2 2 2 2 6 11 2 2 4 4 7 5 2 2 4 6 3 2 2 2 2 6 5 3 10 4 4 4 5 8 3 2 3 3 2 2 2 3 2 6 11 3 4 8 4 4 2 2 2 2 2 3 0 25 3 2 5 4 4 3 32 9 5 3 11 6 5 5 4 21 1 3 3 3 5 6 4 10 4 5 3 4 6 15 40 20 3 5 4 4 17 14 3 3 2 4 34 12 3 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 5 7 5 2 8 4 7 15 13 0 100 5 5 8 5 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 60 59 m 2H \| 37 37 s 2H \| 32 31 tdq 1H J 17 32 47 \| 30 29 m 1H \| 21 21 m 1H \| 19 17 m 2H \| 16 15 m 1H \| 12 11 d 3H J 14	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1N1CCN(Cc2cc3ncc(C(F)(F)F)cc3s2)CC1	ir: 1 2 3 1 2 1 2 4 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 1 1 1 3 3 1 1 2 3 4 11 4 2 1 3 18 13 24 4 2 2 3 7 7 7 4 2 4 3 3 2 1 2 4 5 3 2 3 3 3 3 5 3 2 2 6 9 2 2 3 1 2 2 4 8 5 12 5 11 15 2 2 3 2 2 3 1 1 9 3 0 4 100 9 16 9 1 3 3 1 1 1 2 1 1 2 3 23 2 3 2 1 1 2 2 1 1 3 3 9 3 6 2 2 2 2 2 1 3 2 3 4 3 2 2 2 2 11 7 5 2 3 3 6 2 3 7 2 6 10 3 2 1 4 12 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 5 4 8 12 15 5 8 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; 1HNMR: 87 87 p 1H J 13 \| 86 85 dq 1H J 8 16 \| 70 69 ddd 1H J 16 72 84 \| 69 69 m 2H \| 69 68 dd 1H J 16 72 \| 67 66 d 1H J 9 \| 39 38 s 2H \| 38 38 d 2H J 10 \| 33 33 m 4H \| 31 30 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nnc(CNc2c(C)cccc2C)s1	ir: 7 9 8 6 10 5 10 8 13 39 25 27 10 11 27 20 22 22 10 7 8 16 24 32 19 17 23 26 19 15 17 18 7 5 7 21 24 7 9 19 8 5 9 12 6 15 56 12 9 1 4 4 3 5 4 4 2 2 1 2 2 0 4 9 3 3 3 3 5 10 6 5 4 1 2 4 5 5 3 2 1 2 3 3 1 2 3 3 1 1 2 3 8 12 5 16 11 13 8 18 17 7 3 2 5 7 15 19 9 8 5 4 2 4 3 7 17 17 8 19 17 24 28 15 5 12 8 12 46 15 10 3 10 9 6 5 7 12 11 16 6 12 11 35 27 26 19 11 10 20 13 6 2 3 2 1 2 3 4 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 0 1 1 1 1 2 2 1 1 1 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 0 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 2 4 4 4 3 1 3 4 3 5 7 5 11 6 6 13 14 8 25 60 13 8 5 3 3 3 5 3 2 2 2 2 3 2 2 1 5 4 4 4 10 9 15 68 100 19 17 25 3 2 8 6 1 3 4 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 0 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 73 73 t 1H J 48 \| 70 70 d 2H J 78 \| 69 68 dd 1H J 75 82 \| 49 49 d 2H J 48 \| 29 29 s 2H \| 22 21 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCOC(=O)n1ccccc1=O	ir: 2 5 6 3 2 4 5 3 0 7 7 5 6 24 9 5 2 4 5 2 0 3 4 1 1 3 4 1 1 4 4 2 1 4 4 0 1 5 4 1 5 21 15 29 82 100 5 7 4 7 3 1 2 4 2 0 3 6 6 10 12 6 3 1 3 5 3 1 3 5 3 2 5 7 5 3 5 4 2 1 3 3 1 1 5 13 2 2 4 3 1 1 3 3 1 1 4 3 1 2 4 3 4 2 9 8 2 3 6 3 1 2 4 3 1 3 4 4 1 4 6 3 2 3 8 2 2 5 5 4 1 3 4 2 1 3 5 3 2 4 4 5 19 11 6 3 4 7 9 15 14 11 6 1 1 5 3 3 21 22 6 2 2 5 3 5 4 4 2 0 2 4 2 0 2 4 2 0 2 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 3 3 1 1 4 3 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 3 1 2 5 6 2 2 4 2 1 2 4 3 4 9 4 5 14 16 24 12 6 7 5 3 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 4 2 1 2 4 2 0 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 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; 1HNMR: 89 88 dd 1H J 13 75 \| 75 75 ddd 1H J 14 77 91 \| 70 70 td 1H J 7 75 \| 68 68 dd 1H J 7 93 \| 42 41 t 2H J 65 \| 17 16 tt 2H J 66 77 \| 14 12 m 8H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(NC(=O)c2cccc(OCc3ccccc3)c2)c(C)c(C)c1OCc1ccccc1	ir: 1 1 2 2 2 2 1 2 2 1 3 2 2 1 1 2 2 3 1 2 2 5 3 4 2 2 3 2 3 2 7 3 7 5 5 3 2 8 8 22 34 24 6 2 6 4 4 4 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 6 5 4 8 2 2 3 2 2 1 1 1 3 3 3 2 2 1 1 2 1 1 1 1 7 1 1 1 1 2 2 2 10 1 2 3 1 1 1 1 1 3 1 1 1 1 1 2 2 1 3 2 2 2 3 3 3 1 3 3 2 1 2 1 1 1 1 2 6 5 14 5 3 4 4 26 5 9 27 14 12 7 55 9 2 2 1 18 15 17 2 1 3 2 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 0 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 2 0 1 2 1 0 3 10 11 7 20 100 21 17 3 0 3 3 1 0 1 2 1 0 1 1 1 1 1 1 1 1 2 3 4 8 16 8 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 85 85 s 1H \| 77 76 ddd 1H J 9 22 81 \| 74 73 m 12H \| 73 73 m 2H \| 70 70 ddd 1H J 9 17 81 \| 51 51 t 2H J 9 \| 51 50 t 2H J 9 \| 24 24 s 2H \| 22 21 s 2H \| 21 21 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(=O)c1ccc(Br)cc1F)c1ccc(Cl)c(Cl)c1	ir: 8 16 6 5 9 8 4 2 5 5 3 3 5 2 2 4 2 2 7 7 29 14 13 5 4 9 14 22 18 17 60 16 19 7 18 14 33 12 6 5 6 6 18 6 5 5 10 8 3 2 3 4 4 7 79 44 7 5 2 2 2 1 2 5 2 0 9 29 27 6 6 3 1 1 2 2 1 2 5 5 4 4 6 3 2 2 5 4 3 2 4 9 20 3 3 6 5 4 3 12 3 2 6 3 3 2 2 2 1 4 5 3 10 6 5 10 25 7 16 11 5 6 8 4 70 12 8 17 17 19 13 7 2 4 22 16 1 18 4 2 3 2 3 8 49 100 31 10 69 84 19 12 31 9 2 1 2 3 3 1 13 5 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 1 2 2 4 1 2 5 5 13 11 20 18 7 18 47 49 11 8 5 5 3 3 2 2 1 3 2 2 1 2 2 2 1 2 2 2 3 6 15 81 10 6 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 dd 1H J 51 82 \| 76 76 dd 1H J 7 22 \| 76 74 m 3H \| 74 73 m 1H \| 66 66 d 1H J 79 \| 64 63 m 1H \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCc1cc(F)c(OCc2sc(F)cc2-c2ccc(Cl)cc2)c(F)c1	ir: 1 3 2 5 2 4 2 3 1 1 4 2 1 1 3 2 1 5 4 3 2 2 3 2 1 0 2 1 1 4 1 0 2 1 2 0 2 1 2 2 7 6 3 2 2 3 2 1 1 1 1 4 4 11 36 44 11 1 3 5 2 3 5 8 7 22 8 6 11 37 8 11 68 22 7 5 2 2 1 1 1 3 1 1 2 6 5 9 14 4 31 10 3 4 3 2 6 5 10 6 5 4 3 2 1 2 0 3 13 7 3 8 1 8 7 7 4 3 11 6 6 11 24 10 4 8 7 5 2 3 2 2 3 2 14 13 2 3 4 3 2 6 13 36 37 26 13 9 5 5 1 2 5 2 4 18 3 1 1 1 28 13 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 2 1 2 2 7 4 2 4 2 2 5 5 2 8 26 21 8 45 100 44 31 21 11 4 2 2 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; 1HNMR: 75 75 m 2H \| 74 73 m 2H \| 68 68 dt 2H J 9 123 \| 67 67 d 1H J 121 \| 54 53 s 2H \| 42 41 q 2H J 66 \| 29 29 ddt 2H J 8 74 82 \| 27 26 m 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.
O=C(NCc1nc(-c2ccncc2)n[nH]1)c1cccc2cc[nH]c12	ir: 10 6 13 16 7 9 8 4 3 2 3 3 5 4 4 2 1 1 1 2 2 1 3 1 6 3 1 1 1 0 0 0 1 4 52 21 1 1 1 2 2 1 1 1 1 1 1 1 1 10 6 2 1 0 1 1 1 1 5 1 1 2 1 1 1 1 3 2 1 16 26 14 5 5 17 9 3 1 4 11 3 9 14 1 1 2 10 6 2 1 2 1 1 2 13 6 4 3 3 4 14 8 3 2 0 2 5 13 1 1 6 2 1 4 1 2 2 3 9 9 7 7 7 9 6 7 8 5 6 1 8 19 0 4 3 9 9 3 1 1 1 4 14 23 8 2 4 2 31 4 1 2 4 1 0 2 10 4 2 9 2 2 1 1 2 4 3 0 1 2 7 1 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 2 1 1 3 5 1 1 1 1 1 1 3 7 19 25 31 100 19 14 5 4 2 2 3 1 5 13 19 3 1 1 1 1 1 2 3 2 2 4 11 7 9 14 21 6 2 1 2 2 1 2 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 87 m 2H \| 82 81 t 1H J 67 \| 80 79 m 2H \| 78 78 dd 1H J 11 79 \| 77 76 dt 1H J 12 76 \| 75 75 t 1H J 78 \| 73 72 dd 1H J 36 69 \| 69 69 dt 1H J 7 37 \| 48 48 d 2H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1cccc(C(=O)Nc2c(C(N)=O)oc3ccc(F)cc23)c1	ir: 0 1 2 1 1 2 2 3 4 11 8 3 2 2 2 1 1 4 35 2 3 15 21 15 9 3 2 1 1 2 2 2 16 5 5 4 51 7 4 1 1 3 9 11 1 3 2 4 14 19 4 3 11 17 77 10 23 14 5 5 6 3 6 3 3 2 3 2 5 4 5 2 2 2 5 2 3 4 2 1 2 2 3 2 4 2 1 2 2 1 1 1 2 2 9 14 13 2 0 1 2 1 0 1 4 1 0 1 4 10 1 1 2 1 0 4 3 2 1 4 10 16 5 3 8 32 11 4 2 1 0 4 4 2 1 2 2 1 1 8 57 12 26 5 40 5 5 34 5 2 10 13 2 4 8 2 3 11 6 44 9 2 2 2 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 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 1 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 2 1 2 2 3 4 8 7 14 41 23 8 10 7 3 4 2 0 2 4 1 1 2 2 1 1 39 5 2 2 5 6 20 23 10 3 1 0 9 44 100 8 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 84 83 t 1H J 21 \| 81 80 dddd 2H J 13 22 51 82 \| 77 76 dd 1H J 26 122 \| 76 75 m 2H \| 72 72 s 2H \| 72 71 ddd 1H J 26 82 101 \| 26 26 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1cc(-c2cccs2)[nH]c(=O)c1C(N)=O	ir: 5 2 2 1 1 3 1 1 0 2 1 1 4 5 28 13 11 6 7 2 2 1 2 8 7 5 12 9 9 5 6 10 79 10 4 2 2 4 3 8 12 1 1 4 2 4 8 12 3 6 3 3 4 11 59 15 6 0 2 2 1 1 2 3 5 2 3 4 2 3 3 19 6 9 5 1 1 0 0 0 1 2 10 7 2 2 2 3 4 1 15 6 3 2 1 1 0 1 2 5 6 2 1 1 4 4 10 6 3 1 2 4 6 3 1 1 2 1 1 2 0 1 1 0 1 1 0 2 1 2 2 4 8 3 4 1 1 1 1 3 1 1 1 1 1 15 5 1 0 0 5 10 1 1 1 1 1 1 1 7 3 81 100 12 3 3 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 1 1 1 1 0 2 3 2 8 17 21 7 11 9 13 3 1 1 1 1 1 1 1 1 1 1 1 1 1 2 41 16 1 1 1 1 14 35 5 3 4 2 8 11 25 4 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 99 99 s 1H \| 81 80 s 2H \| 76 75 dd 1H J 18 66 \| 74 74 dd 1H J 16 53 \| 71 71 dd 1H J 53 66 \| 68 68 d 1H J 18 \| 37 36 pd 1H J 18 75 \| 11 11 d 6H J 75	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Cc1ccc(F)c(S(=O)(=O)Cl)c1	ir: 1 2 3 5 0 6 5 3 8 19 13 5 12 3 12 10 1 2 2 2 18 3 2 4 2 1 1 0 1 1 1 2 4 9 3 24 2 2 7 1 1 1 3 8 3 2 1 1 1 2 1 1 2 2 9 9 8 2 1 1 1 0 2 7 15 12 4 5 6 11 3 2 2 2 1 0 1 2 1 5 10 18 6 21 62 8 4 1 2 1 1 1 1 2 1 8 6 2 3 11 14 2 1 1 1 1 0 1 1 1 0 1 2 3 15 3 3 4 2 2 3 6 13 3 8 5 4 5 4 9 3 3 3 2 1 3 3 3 3 5 100 53 7 1 8 2 3 5 13 6 3 1 1 9 1 1 1 1 1 1 1 5 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 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 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 1 2 2 1 2 3 2 1 2 2 2 1 2 2 5 6 19 14 39 39 14 6 4 2 2 1 1 1 1 3 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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; 1HNMR: 80 79 ddt 1H J 8 18 29 \| 74 73 m 2H \| 38 38 t 2H J 8 \| 22 21 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C(=O)O)ccc1[C@@H]1C[C@H](NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)CCO1	ir: 2 2 1 4 1 2 1 1 2 2 0 3 2 4 5 2 2 3 2 4 10 41 40 11 4 10 6 1 1 2 1 0 3 9 9 6 2 13 4 2 1 3 5 5 8 7 5 2 1 0 1 2 1 2 12 33 9 3 1 1 1 1 1 3 1 3 5 1 5 7 3 8 4 3 1 2 29 71 5 9 13 9 3 2 1 4 6 3 2 4 1 1 2 4 6 6 3 7 8 29 9 2 1 2 2 2 4 5 1 2 1 6 2 2 0 3 37 13 2 2 2 3 2 3 16 5 3 4 2 1 1 3 2 2 1 1 1 1 0 1 1 2 17 4 14 16 33 18 12 4 34 9 5 1 1 1 0 0 1 1 1 1 2 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 1 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 2 1 0 2 2 2 6 3 3 6 7 18 35 9 5 7 4 7 1 5 5 71 100 24 1 2 1 0 1 1 1 3 4 5 6 4 5 13 2 2 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 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 78 d 2H J 78 \| 73 72 dt 1H J 8 76 \| 71 70 d 1H J 76 \| 70 69 m 2H \| 68 68 d 1H J 88 \| 48 47 m 1H \| 39 38 ddd 1H J 31 59 117 \| 38 37 dtdt 2H J 31 59 90 161 \| 24 23 s 3H \| 24 23 m 1H \| 21 20 dt 1H J 68 145 \| 20 19 ddt 1H J 31 60 141 \| 17 16 dtd 1H J 31 59 141 \| 16 15 m 2H \| 14 13 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCCCCOCC(=O)OCCCCC=C	ir: 6 3 4 10 8 6 5 9 10 14 15 14 13 20 11 7 8 4 4 4 2 3 4 6 6 21 13 18 24 45 13 6 3 2 5 4 2 5 3 7 10 4 6 3 3 3 5 3 7 13 6 1 4 5 2 3 4 8 13 12 17 25 27 4 15 15 23 10 22 30 10 53 66 18 11 7 5 6 5 2 4 6 5 7 6 4 4 3 6 12 13 8 5 5 7 11 8 4 9 12 18 25 24 9 8 13 16 28 14 20 8 13 13 17 6 16 22 20 33 39 43 37 20 26 35 14 12 9 16 9 6 9 6 6 24 20 51 46 46 43 17 17 17 13 100 98 17 6 11 4 1 3 3 0 2 3 2 5 6 7 3 1 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 2 1 1 4 4 2 11 27 42 20 26 11 16 23 36 28 19 62 94 39 33 27 25 31 19 10 20 20 28 11 4 6 2 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 59 57 m 2H \| 51 51 ddt 2H J 16 23 102 \| 50 49 ddt 2H J 13 24 171 \| 41 41 m 4H \| 36 35 t 2H J 57 \| 21 20 tdt 4H J 14 68 79 \| 17 16 ttd 2H J 7 57 83 \| 16 15 ttd 2H J 10 57 81 \| 15 14 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nccn1-c1ccc(Nc2nc3c(c(Cc4ccccc4F)n2)CN(CCO)CC3)cc1	ir: 3 4 5 6 7 4 6 5 3 12 10 17 5 4 6 4 4 7 4 2 3 5 4 1 2 2 3 1 1 1 3 2 2 3 8 4 6 4 3 10 5 9 45 18 9 5 8 5 4 3 7 10 10 19 23 36 32 6 2 8 2 5 2 4 3 5 1 2 3 9 6 4 17 2 2 9 4 2 1 1 3 6 33 12 13 16 12 28 11 28 7 8 2 4 9 3 4 3 3 5 2 12 4 3 18 29 9 4 5 6 3 3 16 14 7 16 6 6 14 7 12 8 6 10 12 12 9 6 11 20 11 5 4 13 11 4 5 8 2 1 3 4 8 8 7 4 3 1 11 11 10 77 13 10 14 19 3 0 1 2 1 0 3 1 2 0 2 5 32 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 0 1 1 0 1 1 1 4 4 4 3 3 13 9 17 6 9 2 9 6 9 31 46 25 37 100 76 93 16 9 6 2 6 16 2 1 1 0 1 1 1 1 1 1 1 1 1 2 4 18 10 9 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 81 s 1H \| 78 77 d 1H J 38 \| 77 76 d 1H J 38 \| 75 74 m 2H \| 74 73 dddt 1H J 9 18 36 86 \| 73 72 m 3H \| 72 71 m 2H \| 41 41 dd 2H J 8 36 \| 39 38 t 1H J 63 \| 37 37 s 2H \| 37 36 dt 2H J 54 65 \| 31 31 m 2H \| 28 28 m 2H \| 28 27 t 2H J 55 \| 25 25 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N1CCC2(C1)CN(C(=O)Nc1ncc(Cl)s1)c1ccc(CCC(=O)O)cc12	ir: 15 24 25 19 22 14 8 16 8 5 2 5 8 6 8 6 8 3 8 5 7 7 6 9 9 10 4 7 8 5 5 6 4 3 4 8 10 11 10 100 13 1 5 6 6 2 8 7 8 1 22 17 12 20 23 15 6 7 6 7 6 1 4 9 10 5 6 14 6 10 4 9 5 1 4 8 11 7 6 12 5 4 7 11 64 31 7 9 10 18 26 19 10 8 6 6 5 14 11 16 5 6 5 13 23 8 10 5 6 7 6 8 3 13 12 22 13 12 8 9 10 22 41 13 5 14 7 6 19 10 8 7 6 18 9 5 3 4 6 4 5 7 12 40 49 11 12 20 15 17 8 16 4 13 8 2 2 4 3 0 2 4 3 0 2 5 3 1 3 5 3 0 2 4 2 0 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 1 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 5 4 1 2 4 3 1 2 4 3 1 2 5 2 0 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 3 2 1 3 3 2 2 4 3 2 3 5 4 3 6 6 10 8 10 15 9 7 9 8 5 9 15 53 64 26 10 49 40 33 17 13 7 1 4 25 16 13 5 5 3 1 3 4 2 2 3 3 4 5 11 42 20 4 7 4 2 2 3 3 2 2 3 3 1 2 4 3 1 2 3 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 79 79 s 1H \| 72 71 m 1H \| 70 70 dtt 2H J 12 22 55 \| 44 43 d 1H J 130 \| 41 41 d 1H J 132 \| 39 39 m 1H \| 37 36 m 2H \| 36 35 ddd 1H J 31 50 123 \| 29 28 m 2H \| 27 26 m 2H \| 25 24 ddd 1H J 31 49 128 \| 22 21 ddd 1H J 30 48 128 \| 21 21 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNS(=O)(=O)C/C=C/c1ccc2[nH]cc(C3CCN(C)C3)c2c1	ir: 3 2 7 6 1 1 7 6 2 4 2 2 1 3 4 2 1 1 1 2 1 20 6 3 4 2 12 3 1 1 1 1 1 1 3 3 2 2 1 1 2 2 5 2 14 5 6 3 4 1 6 16 30 31 8 7 7 3 3 2 2 3 1 2 4 6 6 8 7 6 5 8 6 4 6 9 11 13 15 12 5 4 3 4 2 7 10 13 4 12 4 6 3 4 3 2 1 2 3 2 2 4 4 10 12 10 22 33 36 14 10 9 4 2 1 2 1 3 2 2 3 10 18 4 4 2 1 2 3 3 4 1 1 1 0 1 2 1 1 1 1 7 1 3 3 0 0 1 1 0 1 1 3 10 4 3 1 1 1 2 1 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 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 1 0 0 1 1 2 2 1 0 1 2 1 4 3 5 11 7 6 20 11 2 5 12 1 1 1 1 1 0 1 1 1 1 2 3 2 4 5 9 45 100 10 3 9 12 9 1 2 2 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 0 0 0 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; 1HNMR: 90 90 d 1H J 73 \| 78 78 dd 1H J 10 19 \| 74 74 m 2H \| 72 72 m 1H \| 67 66 dt 1H J 11 154 \| 62 61 dt 1H J 86 158 \| 49 48 q 1H J 60 \| 38 38 dd 2H J 13 86 \| 31 31 m 1H \| 31 31 m 1H \| 29 28 m 2H \| 27 27 m 4H \| 24 23 s 2H \| 23 23 m 1H \| 21 20 dddd 1H J 41 51 71 122	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(F)cc1C(C)(C)C#N	ir: 9 10 9 8 13 10 9 16 10 9 9 10 8 8 8 8 10 14 10 12 8 8 8 8 8 9 10 10 9 9 9 9 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 10 8 29 100 8 9 9 8 8 8 9 12 10 11 12 13 21 35 16 15 11 9 9 9 9 8 8 8 8 8 9 9 8 8 8 9 8 9 9 8 12 9 8 8 10 11 14 10 9 9 9 12 17 9 9 9 8 8 8 11 10 8 9 9 9 9 9 10 11 12 11 14 9 9 9 9 9 11 12 13 10 11 10 10 10 9 8 8 8 8 8 9 8 13 42 9 9 8 9 13 10 9 9 12 13 20 10 10 9 8 8 9 11 12 10 9 8 8 8 8 8 8 8 9 8 7 8 9 7 0 8 6 8 9 8 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 11 10 9 9 8 9 8 9 9 9 9 10 14 38 16 20 95 50 25 14 8 9 10 8 8 8 9 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8; 1HNMR: 72 71 m 1H \| 70 70 dd 1H J 30 121 \| 69 69 ddd 1H J 31 81 102 \| 23 23 d 3H J 9 \| 18 17 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1cccc2nc(I)sc12	ir: 6 13 0 15 14 9 24 8 5 12 27 23 17 11 11 7 5 9 11 11 10 9 10 6 6 9 10 6 6 11 10 6 6 10 9 5 6 10 10 6 14 17 11 7 29 64 62 83 16 7 8 7 8 9 8 8 10 9 8 6 8 9 7 6 8 9 7 6 9 9 7 6 8 10 8 6 8 9 7 7 10 10 8 10 17 13 21 9 9 9 6 7 10 11 7 7 9 8 6 7 9 8 6 7 9 10 7 9 9 8 7 10 14 10 10 29 24 16 1 8 11 7 4 8 10 7 5 8 10 7 9 10 13 7 6 9 10 8 14 44 23 14 6 9 9 8 9 9 9 6 7 10 8 6 7 12 14 17 15 10 8 6 7 10 8 5 7 10 8 5 8 10 8 5 8 10 7 5 8 10 7 6 8 9 7 6 8 9 7 6 8 9 7 6 9 9 7 6 9 9 6 6 9 9 6 7 9 8 6 7 9 8 6 7 9 8 6 7 9 8 6 7 10 8 6 7 10 8 5 8 10 7 6 8 10 7 6 8 9 7 6 8 9 7 6 8 9 7 6 8 9 7 6 8 9 7 6 9 9 6 7 9 8 6 7 9 8 6 7 9 8 6 7 9 8 6 7 10 8 6 8 10 9 6 7 14 30 100 31 20 10 6 13 11 8 6 8 9 7 6 8 9 7 6 8 9 7 6 8 9 7 6 8 9 7 7 9 8 7 7 9 8 6 7 9 8 6 7 9 8 6 7 9 8 6 7 9 8 6 7 9 8 6 8 9 7 6 8 9 7 6 8 9 7 6 8 9 7 6 8 9 7 6 8 9 7 7 8 8 7 7 8 8 7 7 9 8 7 7 9 8 6 7 9 8 6 7 9 8 6 7 9 8 6 7 9 8 6 7 9; 1HNMR: 77 77 dd 1H J 11 70 \| 75 75 ddd 1H J 52 70 79 \| 72 72 ddd 1H J 13 80 102	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(C)c1OCc1c(F)c(F)c(F)c(F)c1F	ir: 6 2 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 3 6 2 1 2 5 1 1 2 2 2 6 4 3 0 1 8 87 8 6 1 2 5 3 6 7 20 67 10 8 4 4 1 1 2 2 1 2 2 2 1 2 2 1 2 2 4 11 43 24 2 2 2 2 2 2 3 7 24 4 2 2 2 3 2 2 1 1 1 2 1 1 6 20 8 5 3 2 2 5 22 9 3 1 2 4 6 10 10 2 4 2 2 2 2 5 2 3 3 3 2 2 2 2 3 4 2 3 3 14 3 3 2 2 2 4 5 9 18 7 15 10 2 1 2 3 1 1 3 2 1 1 4 2 1 6 2 18 7 2 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 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 2 2 5 4 3 3 3 4 4 5 4 3 3 4 3 4 5 12 3 17 100 37 9 7 1 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 70 70 m 2H \| 69 69 dd 1H J 70 82 \| 54 53 t 2H J 48 \| 22 22 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CC[C@@H](C)P1C1=C(P2[C@H](C)CC[C@H]2C)C(=O)OC1=O	ir: 24 7 29 5 8 7 16 10 4 6 7 4 1 13 18 8 11 7 9 5 2 10 28 11 3 7 7 2 1 6 7 4 2 7 13 2 2 7 6 1 3 8 5 0 3 9 7 16 100 16 7 1 12 11 6 2 5 8 4 1 6 13 15 12 14 9 4 6 6 15 17 15 19 12 6 3 6 14 14 4 7 9 2 1 7 7 1 2 7 6 2 3 8 7 2 4 8 7 4 6 17 19 18 25 28 13 9 11 12 10 7 27 22 21 14 21 93 19 13 16 8 8 4 13 19 11 7 8 26 35 4 12 7 3 1 5 7 2 1 6 6 2 2 6 6 1 2 5 34 3 4 7 19 13 3 7 5 1 3 7 5 1 3 7 5 0 4 7 4 0 4 8 4 0 4 7 4 1 4 7 3 1 4 7 3 1 5 6 3 1 5 6 2 1 5 6 2 2 5 6 2 2 6 5 2 2 6 5 1 3 6 5 1 3 6 4 1 3 7 4 1 3 7 4 0 4 7 4 0 4 7 3 1 4 6 3 1 4 7 3 1 5 6 2 1 5 6 3 2 5 5 3 2 5 5 2 2 6 6 3 5 6 6 2 4 6 7 2 3 10 12 4 6 9 4 8 9 12 7 9 16 16 38 36 25 23 12 5 8 9 5 1 5 8 3 1 5 7 3 2 5 6 3 2 5 6 3 2 5 6 2 2 5 5 2 2 5 5 2 2 6 5 2 3 6 5 1 3 6 4 1 3 6 4 1 3 6 4 1 3 7 4 1 4 6 3 1 4 6 3 1 4 6 3 1 4 6 3 2 4 6 3 2 5 5 2 2 5 5 2 2 5 5 2 2 5 5 2 3 5 5 2 3 6 4 2 3 6 4 1 3 6 4 1 3 6 4 1 4 6; 1HNMR: 24 22 m 5H \| 16 15 m 4H \| 14 13 m 4H \| 10 10 d 11H J 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1oc(=O)c2ccc(Cl)cc2c1-c1ccc(C)cc1	ir: 4 3 0 31 18 9 10 26 8 3 4 3 7 7 13 4 2 3 8 27 3 2 2 2 2 2 2 2 3 3 11 4 3 2 4 3 2 2 6 4 2 2 5 2 3 3 5 7 3 2 3 5 7 8 49 17 3 5 3 2 3 4 3 7 8 5 11 75 22 12 5 3 3 2 4 9 6 3 3 2 2 2 2 4 4 3 11 4 16 16 4 3 3 4 5 23 7 11 10 4 3 3 8 4 10 37 11 3 3 3 2 2 3 3 2 3 4 5 8 14 4 9 96 12 7 10 5 7 12 2 2 3 3 2 1 3 6 18 39 3 2 2 2 3 6 18 2 32 42 65 11 3 8 7 5 16 25 11 3 1 2 4 6 13 2 3 3 1 2 3 2 1 2 3 2 2 3 3 3 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 4 3 2 2 2 2 3 3 8 4 6 7 5 10 12 100 84 70 18 12 4 3 3 5 4 4 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 81 81 d 1H J 87 \| 78 78 d 1H J 24 \| 76 76 m 2H \| 76 75 dd 1H J 25 87 \| 74 74 dq 2H J 9 81 \| 38 38 s 3H \| 23 23 d 3H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCN1CCNC(=O)C1=O	ir: 4 11 4 2 1 3 7 3 1 10 4 1 1 3 4 3 28 8 5 2 2 10 11 17 94 14 14 16 19 8 3 4 21 31 18 9 4 4 5 3 3 3 3 2 2 4 2 1 2 3 2 1 2 4 2 1 3 5 5 1 3 4 3 0 3 4 3 3 3 4 6 1 2 3 1 1 2 3 1 1 2 3 1 1 4 8 2 2 3 2 1 2 4 3 2 4 6 6 8 12 15 17 29 16 5 4 2 3 7 7 0 5 7 4 7 10 7 6 12 14 12 5 4 6 14 6 2 4 8 8 10 13 5 7 27 7 6 5 5 7 5 1 2 4 9 12 75 21 4 4 3 4 2 1 7 25 6 2 3 3 2 1 2 2 2 1 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 2 3 2 2 2 4 5 5 3 4 2 2 2 4 3 3 13 5 3 0 2 3 3 1 2 3 2 1 3 3 2 1 3 3 2 1 3 4 3 5 10 11 15 43 100 49 5 3 4 5 5 2 3 2 1 2 2 2 1 2 3 2 1 2 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3; 1HNMR: 62 62 t 1H J 38 \| 36 35 m 2H \| 35 34 m 4H \| 16 15 p 2H J 64 \| 14 12 m 6H \| 9 9 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1(C(F)(F)F)C(=O)NC(=O)NC1=O	ir: 8 8 10 8 8 9 10 8 8 7 7 8 9 8 8 8 12 8 7 8 7 7 7 7 8 9 10 11 20 9 8 8 9 9 8 8 8 7 7 8 7 7 8 8 8 8 8 8 8 8 8 9 9 11 18 0 77 10 16 13 17 23 9 9 7 7 8 9 13 9 11 8 9 8 8 9 8 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 9 9 15 20 13 8 7 8 9 8 9 28 16 8 14 13 9 20 13 13 11 13 20 10 14 10 7 8 8 8 7 8 8 8 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 8 8 8 8 12 10 8 28 26 18 13 8 9 8 7 9 50 85 11 8 7 8 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 8 9 8 7 8 8 8 8 8 10 12 7 8 8 7 7 8 9 7 7 8 8 7 7 8 8 7 7 8 8 7 6 9 10 6 4 30 83 100 22 11 9 10 8 7 7 8 8 7 8 8 8 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7; 1HNMR: 94 94 s 2H \| 21 21 qq 2H J 23 67 \| 11 10 t 3H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(N)c(I)cn1	ir: 11 11 4 23 9 5 3 4 5 4 3 3 5 5 3 3 3 3 2 3 5 2 4 2 3 2 2 3 3 3 2 3 4 4 16 18 6 7 4 5 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 3 2 4 4 3 3 3 3 4 3 7 10 4 3 6 9 6 4 7 8 6 3 3 3 4 4 6 20 13 3 3 3 3 3 3 3 3 3 3 4 10 3 3 3 2 3 3 3 3 3 5 4 2 3 3 3 3 3 3 3 5 4 4 3 3 3 3 3 3 3 3 4 5 3 3 3 3 3 3 8 9 3 2 3 3 3 3 4 11 2 2 3 3 2 2 4 3 3 6 29 29 4 3 10 46 100 10 0 2 5 3 1 3 4 3 1 3 3 2 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 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 4 4 3 3 5 16 7 5 4 3 3 3 3 3 3 3 3 2 3 3 2 2 3 18 18 3 2 2 3 2 3 3 2 4 6 65 56 16 3 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2; 1HNMR: 89 89 s 1H \| 67 66 s 1H \| 41 40 s 2H \| 24 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(Cc1ccc(C(=O)N2CC3(C)CC2CC(C)(C)C3)cc1)C(=O)C1CCCCC1	ir: 2 4 3 3 3 4 5 6 11 7 13 8 2 2 5 6 6 5 4 6 4 6 3 3 1 4 4 3 4 7 8 24 13 48 21 20 11 31 27 8 12 5 28 4 4 3 7 2 6 3 3 4 9 8 10 8 35 17 5 3 18 4 4 3 5 2 7 6 3 7 2 6 2 1 1 2 1 2 2 2 5 8 2 1 6 4 6 5 9 6 7 10 9 2 3 2 3 5 7 10 6 3 5 5 4 6 7 5 4 5 9 11 12 44 34 9 11 13 19 36 10 26 10 13 12 29 11 8 10 17 7 11 34 26 14 12 10 5 4 2 2 3 5 5 9 100 15 39 67 26 15 29 14 5 1 3 2 1 1 2 1 0 4 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 3 2 2 4 4 9 7 9 7 5 14 9 11 19 38 23 43 61 37 16 9 9 4 5 6 5 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; 1HNMR: 77 76 m 2H \| 74 74 dt 2H J 9 88 \| 44 44 t 2H J 9 \| 40 39 tt 1H J 37 48 \| 37 36 d 1H J 119 \| 34 34 d 1H J 119 \| 29 28 s 3H \| 25 24 dddd 1H J 20 47 62 75 \| 21 20 dd 1H J 36 121 \| 20 18 m 4H \| 17 16 dd 1H J 48 123 \| 16 15 m 4H \| 15 14 m 6H \| 12 12 d 1H J 130 \| 10 10 s 3H \| 10 9 s 3H \| 9 9 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1nc(-c2ccccc2)cs1)Nc1nc(-c2ccccc2)cs1	ir: 6 11 8 10 4 5 3 2 3 8 4 3 2 4 1 5 4 7 7 3 2 2 2 1 3 2 2 6 7 10 6 8 9 16 23 31 12 8 34 44 36 33 12 23 9 1 7 5 4 3 3 6 5 6 7 3 2 3 6 6 3 2 3 3 4 2 5 18 18 26 7 4 3 5 9 62 18 53 6 7 3 4 4 9 2 4 3 9 6 2 2 1 1 3 5 10 22 3 2 2 3 21 2 3 2 3 12 49 38 4 1 1 2 1 0 1 2 2 3 4 7 5 5 5 2 2 4 6 4 1 1 3 3 2 13 59 23 53 68 31 24 24 10 7 7 11 37 13 10 26 17 11 26 5 3 1 1 2 1 0 1 1 1 6 2 2 2 1 1 1 1 0 1 1 1 1 1 1 1 1 0 0 1 0 0 1 0 1 0 1 1 1 1 1 1 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 0 0 0 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1 0 1 1 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 3 6 12 48 100 77 74 17 19 27 12 6 4 2 2 3 2 3 3 2 3 2 2 1 1 1 2 9 12 31 46 10 4 2 1 1 1 1 1 2 2 1 1 1 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 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; 1HNMR: 78 78 m 5H \| 75 74 m 5H \| 74 74 m 2H \| 74 74 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CN(Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)C[C@H](C)O1	ir: 6 4 4 8 6 2 2 8 7 11 4 8 3 4 3 4 13 3 2 1 2 3 12 20 3 2 4 2 1 2 3 4 4 21 50 12 6 2 5 34 6 3 3 1 1 1 4 12 8 10 3 4 4 2 9 10 37 21 12 11 7 19 4 2 1 1 1 2 2 15 3 1 12 10 7 6 6 17 10 20 12 4 9 5 3 2 19 10 1 1 2 3 1 2 2 4 3 4 9 14 16 13 4 1 2 4 4 7 5 2 2 3 3 2 1 1 6 41 15 8 20 40 17 17 10 14 4 52 13 11 10 8 8 8 8 10 9 9 4 1 3 5 2 1 10 75 19 4 5 2 7 44 7 9 3 1 1 1 1 0 1 1 6 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 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 4 4 2 2 1 3 4 3 2 1 4 5 4 4 16 31 14 52 100 17 12 6 3 2 3 3 2 2 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 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 1 0; 1HNMR: 77 76 m 2H \| 75 74 dt 2H J 8 88 \| 40 40 qddd 2H J 15 42 53 66 \| 38 38 qdd 2H J 14 41 68 \| 37 37 dd 2H J 14 117 \| 36 35 m 2H \| 35 34 dd 2H J 42 117 \| 29 29 dd 2H J 14 116 \| 26 26 dd 2H J 41 116 \| 12 12 dd 12H J 68 143	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CNc2nc(-c3ccccc3C=O)cc3nc(-c4ccco4)nn23)cc1OC	ir: 7 5 6 10 6 9 11 13 28 15 0 32 31 24 15 32 23 11 29 14 25 14 17 53 31 100 29 8 7 13 11 6 5 11 6 5 8 18 11 7 10 8 11 74 9 8 10 14 5 5 4 6 7 10 15 9 7 14 10 6 7 6 6 10 17 11 11 11 10 37 8 11 19 13 12 11 5 5 18 15 5 5 3 8 6 7 7 27 28 21 23 19 16 7 5 6 9 16 7 9 7 4 3 5 7 6 12 7 14 16 6 17 10 6 10 20 33 18 15 17 7 9 6 5 8 18 13 23 29 8 13 16 11 14 22 18 34 33 16 21 33 10 9 30 10 7 13 33 41 18 16 33 8 23 7 9 7 29 5 5 8 7 6 33 5 4 3 5 4 3 3 4 3 3 3 4 3 3 3 3 3 3 3 4 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 4 3 3 4 3 3 3 4 4 3 3 4 4 3 3 3 4 3 4 4 5 4 4 3 4 4 4 5 3 3 6 6 6 5 13 49 78 39 33 15 24 15 10 6 6 5 5 6 4 4 4 3 4 4 4 4 6 6 15 9 12 15 52 74 51 14 7 6 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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: 80 79 ddd 2H J 14 32 50 \| 76 76 m 2H \| 75 75 td 1H J 16 79 \| 74 74 td 1H J 14 77 \| 73 72 dd 1H J 18 66 \| 70 69 p 1H J 9 \| 68 68 s 2H \| 68 68 dd 1H J 13 66 \| 68 68 s 1H \| 48 47 dt 2H J 7 55 \| 39 38 d 6H J 22	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1ccc(OC[C@H]2Cn3ccc(=O)nc3O2)cc1	ir: 0 1 0 1 1 1 1 1 2 1 1 2 9 3 3 4 1 3 2 2 1 1 1 1 0 1 1 0 1 1 1 1 1 1 2 9 2 1 1 2 1 1 0 1 0 1 0 1 2 2 12 7 9 5 11 14 4 2 1 1 1 1 4 1 1 5 1 2 3 2 3 0 1 1 2 0 2 1 4 4 1 1 1 0 1 8 2 2 1 2 1 1 1 12 2 1 0 1 0 1 1 1 1 1 3 1 2 1 3 1 1 1 2 1 0 1 1 0 1 3 2 1 0 1 2 2 3 6 2 2 2 3 5 1 1 13 100 4 2 1 1 0 25 2 1 3 5 5 2 8 8 6 4 5 4 2 1 1 6 67 5 2 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 1 1 1 1 1 1 1 1 1 1 0 4 3 5 5 8 27 16 13 3 9 3 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 78 dt 1H J 9 82 \| 73 72 m 2H \| 68 68 m 2H \| 59 58 d 1H J 82 \| 47 47 qd 1H J 15 40 \| 44 43 dd 1H J 40 123 \| 42 41 m 2H \| 39 39 m 1H \| 14 13 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOCCNC(C)c1ccccc1-c1ccc(OCC)cc1	ir: 1 1 2 4 4 2 8 2 1 1 1 1 2 5 1 3 12 1 3 1 1 2 2 2 5 2 5 3 2 1 3 5 5 21 23 22 11 2 7 15 19 39 61 72 35 3 5 5 9 10 11 26 17 28 55 100 35 59 15 9 8 7 6 7 3 6 5 10 29 47 13 8 41 13 23 30 8 3 3 2 3 1 1 1 2 1 2 13 6 2 2 8 6 12 5 4 1 2 5 2 2 1 3 2 13 22 16 15 8 17 14 10 4 11 10 13 4 38 34 20 6 10 6 4 8 5 15 7 13 6 4 3 4 25 4 22 43 20 2 3 2 19 9 4 3 1 2 31 18 8 5 12 8 2 1 3 1 3 8 2 1 1 1 1 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 1 0 0 0 0 0 0 0 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 1 1 0 1 2 2 1 2 3 1 3 2 2 2 1 5 4 5 15 25 29 31 83 66 36 15 11 5 4 4 4 1 7 3 2 3 2 3 3 6 11 9 74 60 30 3 3 2 3 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; 1HNMR: 78 78 dd 1H J 13 79 \| 75 74 m 2H \| 74 73 td 1H J 19 77 \| 74 73 td 1H J 13 77 \| 73 73 ddd 1H J 7 20 79 \| 70 69 m 2H \| 43 42 m 1H \| 41 40 q 2H J 66 \| 36 35 m 5H \| 30 29 ddt 1H J 38 53 141 \| 28 27 ddt 1H J 38 53 141 \| 15 15 d 3H J 58 \| 15 14 t 3H J 67 \| 11 10 t 3H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCc1cc(Cl)ccc1[C@@H](C)OC[C@H]1CO1	ir: 3 3 3 2 4 5 4 5 13 5 12 3 2 1 2 2 3 4 1 2 4 1 0 1 1 1 4 1 2 1 1 2 1 1 2 4 21 3 4 5 1 1 1 1 2 1 1 2 1 3 2 2 1 2 9 20 2 0 4 3 2 2 1 6 4 5 4 6 57 9 4 3 4 5 6 12 6 23 9 2 1 1 4 5 11 2 2 2 0 1 5 4 5 3 3 3 4 29 6 6 6 2 2 2 1 1 1 1 1 1 1 1 3 6 6 7 10 6 10 3 7 12 2 7 2 5 3 5 12 4 5 5 3 2 1 2 1 1 1 1 1 2 4 1 100 5 7 9 2 17 2 2 7 15 1 1 1 5 1 1 4 1 1 1 1 0 1 1 1 1 1 0 1 1 1 1 1 0 1 0 1 1 1 1 0 0 0 0 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 1 0 0 0 0 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 0 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 3 1 1 1 2 2 4 3 3 4 6 6 3 6 14 5 34 27 13 16 7 4 1 1 1 2 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 72 72 m 2H \| 71 71 m 1H \| 49 48 m 1H \| 42 41 q 2H J 66 \| 38 37 dd 1H J 40 114 \| 36 35 dd 1H J 40 114 \| 33 32 qd 1H J 26 39 \| 30 29 m 2H \| 28 27 dd 1H J 26 77 \| 27 26 m 2H \| 25 25 dd 1H J 37 77 \| 15 14 d 3H J 57 \| 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.
COC(=O)COc1cc(OCC2CO2)c(Cl)cc1Cl	ir: 7 2 3 3 3 4 0 1 2 4 2 1 2 1 1 0 1 1 1 1 1 1 2 2 1 1 6 4 3 1 1 1 1 2 5 11 6 3 2 1 1 4 2 2 1 2 1 1 0 1 1 1 1 9 2 2 2 1 0 0 1 1 2 9 13 8 2 8 14 34 4 4 2 1 1 15 3 5 1 1 1 1 1 1 0 0 0 0 0 1 1 1 2 1 0 1 1 9 6 33 2 4 8 3 1 0 0 1 0 1 1 1 1 1 1 1 1 2 1 4 3 10 4 3 6 2 1 1 3 1 0 0 1 1 0 1 1 1 7 2 2 2 1 7 100 25 6 3 1 2 2 4 73 10 2 1 0 1 1 0 0 8 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 1 0 2 3 1 1 0 3 2 2 2 9 8 28 29 6 5 5 3 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 s 1H \| 65 64 s 1H \| 48 48 s 2H \| 43 43 dd 1H J 32 114 \| 41 40 dd 1H J 33 115 \| 38 37 s 3H \| 34 34 p 1H J 30 \| 29 29 dd 1H J 29 77 \| 28 27 dd 1H J 28 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1ncc2c(n1)N(Cc1ccc(F)c(F)c1)c1ccccc1-n1nnnc1-2	ir: 2 2 3 1 2 3 7 2 0 2 1 1 1 3 3 1 3 3 2 1 3 7 3 3 4 4 5 5 0 1 1 1 2 3 3 5 5 7 6 6 6 10 11 35 3 3 3 3 11 23 26 26 24 6 9 18 12 3 6 5 4 2 2 1 16 3 2 2 5 4 9 1 2 5 2 4 2 18 5 1 1 2 1 7 5 25 3 3 8 2 0 1 4 2 3 1 6 5 1 1 4 2 0 2 3 2 2 2 3 30 5 2 19 9 8 9 4 25 3 2 3 3 1 10 9 4 0 5 3 7 1 4 27 5 4 7 10 3 18 2 14 10 2 90 10 2 11 18 10 22 14 5 56 6 4 1 24 2 2 4 65 6 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 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 0 1 1 1 1 1 2 2 0 1 2 2 1 1 2 2 1 3 3 2 2 2 3 5 5 7 10 25 100 31 23 4 4 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 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: 87 86 s 1H \| 77 76 dd 1H J 14 76 \| 76 75 td 1H J 14 74 \| 74 74 ddd 1H J 14 65 77 \| 73 71 m 5H \| 55 54 d 2H J 9 \| 26 25 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)CCNC(=O)c1cc(C)c(C=C2C(=O)Nc3cccc(-c4ccc(Br)cc4)c32)[nH]1	ir: 10 4 0 8 28 27 6 12 19 14 18 6 8 15 8 11 7 32 10 9 11 24 8 12 15 6 6 10 9 16 3 6 13 3 3 7 10 13 20 13 23 60 77 28 10 9 13 52 10 11 13 9 6 7 30 34 16 5 5 7 4 2 5 7 4 3 6 8 8 6 8 5 4 7 5 6 7 4 6 6 23 10 9 6 6 14 11 9 6 7 81 9 2 8 8 9 3 5 10 4 5 26 22 16 4 6 13 11 5 5 5 6 6 23 19 10 15 12 13 8 3 23 7 7 14 11 12 15 15 20 11 6 5 10 15 3 2 34 14 5 6 25 35 8 91 20 8 6 45 27 8 20 39 7 5 1 5 19 5 7 100 4 9 5 4 6 3 3 3 4 3 2 3 5 3 2 3 4 3 2 3 4 3 2 3 4 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 5 3 1 3 5 3 2 3 5 3 2 3 5 3 2 4 4 3 2 4 4 3 2 4 4 3 2 4 4 2 2 4 4 2 3 5 4 2 3 5 4 2 3 5 4 3 4 5 4 2 6 6 5 4 4 5 4 3 6 13 13 25 24 44 45 34 22 6 9 9 10 6 4 3 5 5 4 4 4 7 6 3 7 9 9 22 29 56 58 83 17 28 10 11 5 5 3 3 5 4 2 3 4 4 2 3 5 3 2 3 4 3 2 3 4 3 2 3 5 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 79 79 t 1H J 46 \| 77 76 m 4H \| 75 75 m 2H \| 75 74 m 2H \| 70 69 s 1H \| 36 35 q 2H J 46 \| 29 28 t 2H J 46 \| 25 25 q 4H J 69 \| 23 23 s 3H \| 11 11 t 6H J 69	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ncnn2c(C3CCCNCC3)cc(-c3ccc4cn(Cc5ccccc5)nc4c3)c12	ir: 5 4 7 10 4 11 4 6 4 3 2 6 11 8 1 4 6 7 21 26 10 9 7 13 9 7 7 12 14 15 19 12 7 15 18 14 6 7 6 26 35 15 5 10 10 25 9 8 2 4 3 1 4 7 11 5 4 5 2 0 1 3 2 2 3 9 3 3 9 5 3 3 8 8 5 3 4 3 5 1 2 2 3 1 2 3 1 2 4 7 2 2 2 7 2 3 3 17 6 4 4 2 2 1 5 4 2 4 6 5 2 25 23 5 14 9 8 10 10 10 12 4 3 4 5 4 3 6 4 3 3 6 5 4 38 19 4 3 1 2 3 12 5 5 7 17 3 4 3 4 9 10 42 49 4 55 9 13 16 32 1 1 3 2 1 1 2 2 1 1 1 2 2 0 1 2 1 1 1 2 1 1 1 2 1 0 2 2 1 1 1 2 1 1 1 2 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 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 2 2 1 2 3 3 1 4 1 2 3 3 3 4 9 12 5 6 29 19 18 16 3 2 3 2 2 2 2 2 1 1 1 2 5 12 100 35 15 7 5 2 0 4 4 0 1 5 23 83 5 4 2 1 2 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 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2; 1HNMR: 84 84 s 1H \| 82 81 m 1H \| 81 80 m 1H \| 77 77 m 2H \| 73 72 m 5H \| 73 72 m 2H \| 63 62 s 1H \| 54 53 q 2H J 9 \| 32 31 dq 1H J 61 69 \| 30 30 m 1H \| 29 27 m 3H \| 26 25 p 1H J 50 \| 21 19 m 2H \| 18 17 m 3H \| 17 15 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)CNCC(=O)OC(C)(C)C	ir: 5 5 5 2 1 1 1 2 5 6 6 4 6 3 2 1 1 1 1 1 1 1 1 2 2 1 2 2 2 3 2 1 1 1 1 1 1 2 5 4 7 5 11 8 6 6 2 3 6 4 2 2 3 3 3 4 6 12 11 8 4 19 7 6 2 1 2 9 5 2 1 1 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 2 2 2 4 3 1 1 1 1 1 1 2 3 8 2 4 9 9 13 67 10 16 11 5 5 12 12 9 2 2 2 3 3 9 8 13 13 11 1 3 2 2 3 1 1 1 1 2 2 4 7 13 8 7 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 5 1 2 1 3 2 2 1 2 1 3 5 7 21 9 4 1 1 1 1 1 1 1 1 0 1 1 1 0 2 2 1 0 4 8 3 100 15 0 2 2 0 0 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 35 35 d 5H J 55 \| 26 25 p 1H J 55 \| 14 14 s 17H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2C2CCN(C(=O)CO)C2)c2cnccc12	ir: 19 5 34 4 9 3 3 2 0 6 25 11 4 5 2 9 5 6 11 17 14 14 21 25 11 3 11 11 8 3 11 3 7 6 8 5 12 4 3 6 5 3 4 1 3 4 2 3 3 2 1 1 3 4 8 8 4 13 8 5 3 12 10 5 3 14 18 20 39 20 7 2 2 1 13 9 3 1 2 2 3 2 3 3 7 26 25 8 100 69 16 15 7 7 9 9 10 7 36 4 26 17 11 8 14 40 16 13 5 3 3 6 12 2 3 3 5 9 7 9 5 2 4 2 14 9 3 3 6 2 1 2 2 2 3 7 2 1 4 3 3 9 2 2 2 8 7 61 10 1 5 8 7 5 8 1 2 1 1 1 2 15 3 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 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 2 1 1 0 1 1 0 0 0 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 2 2 3 2 7 1 1 6 2 11 10 10 19 16 20 10 16 6 10 5 13 12 20 27 4 2 1 1 1 1 1 1 1 1 1 1 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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; 1HNMR: 92 91 d 1H J 16 \| 89 89 d 1H J 44 \| 88 87 dd 1H J 14 45 \| 76 75 d 1H J 84 \| 74 73 d 1H J 19 \| 73 73 dd 1H J 22 84 \| 53 52 m 2H \| 49 49 tt 1H J 22 31 \| 41 41 d 2H J 64 \| 40 40 m 1H \| 38 37 m 2H \| 36 35 ddd 1H J 40 58 112 \| 34 34 s 2H \| 33 32 t 1H J 63 \| 23 22 dddd 1H J 30 38 58 116 \| 21 20 dddd 1H J 31 39 57 116	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Sc1ccccc1C1=NCCN1	ir: 7 6 7 3 4 4 9 3 5 4 3 2 4 7 6 13 15 6 14 7 10 2 9 4 6 3 4 9 8 2 2 14 2 7 5 4 1 2 2 1 3 2 30 12 2 3 12 6 13 7 11 4 1 1 1 2 1 1 3 1 1 0 1 2 2 5 11 15 10 5 1 2 1 1 2 3 1 0 0 4 3 1 1 0 1 4 3 1 2 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 3 1 0 1 2 1 2 1 2 3 1 2 5 2 18 3 0 4 3 1 2 2 1 0 4 8 19 61 23 5 53 22 26 22 87 20 21 4 8 6 13 8 2 3 6 8 2 1 2 0 1 1 2 2 2 37 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 2 1 1 2 4 3 4 5 21 23 4 3 4 2 1 4 3 1 1 1 1 0 1 1 0 0 0 0 1 1 1 1 1 1 0 1 1 1 1 1 8 2 13 40 37 3 2 0 1 1 1 0 1 1 1 1 2 1 1 2 2 2 4 5 3 13 40 39 100 35 13 13 6 2 5 3 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 dd 1H J 17 71 \| 74 74 dd 1H J 15 67 \| 72 72 td 1H J 17 71 \| 72 71 td 1H J 15 72 \| 57 57 t 1H J 38 \| 52 51 s 1H \| 37 37 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1c(Cl)nc2c(c1Cl)CCCC2	ir: 2 1 0 0 1 0 0 0 1 4 1 1 2 2 1 6 7 6 0 1 1 2 1 1 3 3 2 1 1 1 1 3 4 1 1 4 16 7 3 1 2 1 1 0 4 4 2 9 6 4 5 3 3 6 5 9 5 10 12 1 3 3 3 2 1 1 1 1 1 2 1 1 0 0 1 1 1 6 1 1 0 0 1 0 0 0 0 0 0 1 1 0 1 10 6 1 0 1 1 1 1 2 6 3 1 1 3 2 9 3 5 3 5 6 10 10 9 4 6 4 2 1 2 14 1 1 5 6 2 5 5 6 3 1 1 1 1 1 1 1 0 2 9 1 1 1 1 4 6 2 8 0 1 1 1 3 5 100 16 4 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 1 1 1 2 1 1 1 3 4 1 3 2 2 2 2 0 1 6 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 0 0 0 0 0 0 0 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: 31 30 dd 2H J 71 79 \| 29 28 m 2H \| 20 18 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

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