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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
CC(C)Oc1cccc(C23CC(CC(N4C(=O)c5ccccc5C4=O)C2)N(C)CC3C)c1	ir: 1 1 1 2 1 3 1 1 2 1 1 2 2 2 1 6 2 1 1 2 1 2 1 1 2 3 1 0 0 1 2 2 2 1 1 3 2 10 8 100 45 14 17 4 2 3 7 13 15 7 3 1 2 2 3 1 1 0 1 2 1 1 2 2 7 4 5 6 6 3 4 2 2 2 4 1 4 5 6 13 12 7 5 4 2 2 2 2 1 2 2 1 1 1 3 11 5 2 2 2 2 1 1 1 2 1 1 2 2 1 2 1 2 3 1 3 5 4 4 6 9 9 11 11 14 7 9 8 5 4 3 3 25 6 3 2 4 6 13 6 5 6 8 4 9 2 1 2 2 1 1 1 6 5 100 5 16 4 3 9 1 2 1 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 2 3 3 1 3 3 0 4 13 11 3 8 72 15 13 5 1 2 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 dd 2H J 31 51 \| 77 77 dd 2H J 31 50 \| 72 71 t 1H J 79 \| 71 71 ddd 1H J 13 22 81 \| 69 69 t 1H J 21 \| 69 68 ddd 1H J 12 21 79 \| 47 47 q 1H J 43 \| 47 46 dt 1H J 57 113 \| 31 30 ddtd 1H J 17 35 50 65 \| 29 29 dd 1H J 44 112 \| 26 26 dd 1H J 44 112 \| 25 24 dd 1H J 43 127 \| 23 23 d 3H J 15 \| 23 23 dd 1H J 50 125 \| 22 21 m 2H \| 21 20 m 2H \| 18 18 ddd 1H J 41 49 115 \| 13 13 d 6H J 57 \| 9 9 d 3H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C(=O)OCOC(=O)N(C)CC(=O)O	ir: 1 3 8 4 6 5 16 7 7 7 10 7 4 15 14 5 7 6 8 17 29 39 46 17 7 5 6 3 3 1 1 1 1 1 1 1 1 1 1 2 1 1 1 3 2 2 2 2 1 2 1 1 1 0 1 1 1 0 1 1 1 2 1 2 4 3 1 2 4 5 3 3 3 4 4 9 9 9 24 11 9 6 5 3 2 4 2 3 3 1 2 3 2 3 2 3 4 4 4 2 3 2 1 1 2 2 4 3 1 1 2 1 1 1 2 2 2 6 8 8 5 8 5 3 4 5 4 3 5 4 2 3 4 2 3 3 4 2 2 2 2 1 4 15 6 11 9 2 1 3 29 40 2 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 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 2 1 1 1 2 3 2 1 2 1 3 1 5 4 6 4 3 2 1 0 1 2 1 0 6 17 81 100 53 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 59 59 s 2H \| 39 39 s 2H \| 30 29 s 3H \| 26 25 p 1H J 74 \| 12 11 d 7H J 74	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1nc(C2CCC2)cc(N2CCN(CC[C@@H]3CC[C@@H](N)CC3)CC2)n1	ir: 4 1 1 1 0 1 0 0 1 1 2 1 0 1 1 1 1 1 0 1 0 1 1 1 1 1 0 1 1 5 2 0 1 3 2 1 1 4 25 15 2 1 1 0 1 1 1 0 0 1 2 1 1 1 2 5 4 3 4 11 5 4 11 1 23 18 22 5 4 0 1 1 3 13 9 4 5 1 1 2 10 3 8 6 4 2 1 1 2 2 1 0 0 1 0 1 2 2 1 2 3 3 3 3 3 1 2 1 1 2 1 1 1 2 1 2 1 1 1 2 4 1 4 3 2 2 3 7 8 7 6 2 10 14 30 13 3 2 1 8 1 1 1 5 15 100 25 8 3 1 1 0 0 0 0 1 1 0 12 9 41 11 3 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 2 1 2 2 1 3 2 1 3 3 5 8 8 5 13 8 1 2 1 1 0 0 1 1 1 3 3 5 12 18 8 1 2 4 5 3 61 62 0 3 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 64 63 d 1H J 7 \| 36 36 m 4H \| 31 30 m 2H \| 28 27 m 4H \| 26 25 t 2H J 82 \| 22 21 m 2H \| 19 18 m 4H \| 17 16 ddd 1H J 29 56 85 \| 16 16 dt 1H J 29 55 \| 16 15 m 1H \| 15 14 m 5H \| 15 14 s 10H \| 14 12 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(C1CC=CC1)N1CCNCC1	ir: 0 0 0 0 1 2 0 0 0 0 1 0 0 0 0 0 0 1 2 2 1 1 1 1 1 1 6 13 2 9 1 2 1 1 4 1 1 3 4 2 1 1 1 1 1 1 2 1 0 1 1 5 38 22 13 12 9 3 2 2 2 3 1 1 2 19 3 1 1 0 4 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 3 2 3 2 1 1 1 1 0 0 2 1 3 2 1 2 1 2 1 1 1 24 20 4 21 11 14 16 10 4 2 2 3 1 2 3 1 2 2 6 15 20 5 1 1 2 2 2 4 23 3 1 1 1 1 1 1 1 1 2 29 2 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 2 2 2 2 1 2 3 3 1 1 8 10 14 1 1 1 1 0 0 0 0 0 0 0 0 0 1 2 3 2 3 3 33 100 8 1 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; 1HNMR: 58 57 m 2H \| 36 35 m 4H \| 29 29 m 4H \| 27 26 dddd 2H J 26 45 55 145 \| 26 25 m 1H \| 24 23 m 2H \| 22 21 p 1H J 35	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1nnc2ccc(O[C@H]3CC[C@H](N)c4ccccc43)cn12	ir: 0 1 2 1 0 1 3 1 1 2 6 7 8 4 6 4 6 4 2 2 1 2 1 2 1 2 3 3 1 3 2 1 1 1 1 0 0 1 1 2 5 7 36 26 8 8 11 10 4 3 3 2 2 6 13 18 6 5 9 16 8 18 24 44 21 16 8 1 15 14 3 24 59 15 9 24 9 3 3 6 14 11 3 1 2 1 1 2 5 25 10 6 4 2 2 1 2 1 1 2 2 3 1 3 3 2 5 3 2 4 6 8 6 3 0 3 14 21 11 18 8 6 5 13 34 11 19 7 9 15 32 65 100 61 22 5 2 13 10 2 2 8 21 14 4 1 1 4 9 12 3 1 1 3 3 1 0 1 1 2 1 2 2 1 1 0 1 1 1 0 0 1 1 0 1 0 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 0 1 0 0 0 0 1 1 0 1 1 1 0 0 1 0 1 0 1 1 0 1 0 2 1 1 2 2 1 2 3 2 2 3 4 6 3 14 8 12 28 28 31 44 26 5 4 1 3 2 2 3 3 16 56 37 16 13 9 10 16 11 72 84 9 2 1 1 0 1 0 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 1 0 1 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 90 89 d 1H J 17 \| 77 76 d 1H J 95 \| 75 74 m 1H \| 73 73 m 1H \| 73 72 m 2H \| 72 71 td 1H J 15 78 \| 56 56 ddd 1H J 7 29 57 \| 41 40 tddd 1H J 7 29 56 64 \| 36 35 hept 1H J 64 \| 23 21 m 2H \| 21 19 m 2H \| 20 19 d 2H J 64 \| 14 13 d 6H J 65	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Cl	ir: 2 4 2 2 2 2 2 4 4 3 2 4 3 2 2 5 2 2 3 7 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 4 16 11 3 3 4 4 11 47 4 3 2 8 2 2 2 2 2 2 2 4 2 3 2 2 2 2 3 3 16 34 3 2 4 3 2 2 2 3 4 2 4 5 2 2 2 2 2 2 2 3 4 4 2 2 2 2 2 3 5 2 3 4 4 2 3 2 2 2 4 9 2 2 3 2 1 2 3 5 3 2 3 6 3 2 3 2 2 11 7 2 1 4 3 1 2 4 5 8 11 54 6 1 44 57 63 8 13 7 2 3 3 2 4 33 3 2 5 71 6 0 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 8 3 3 3 2 2 2 3 2 2 3 4 3 10 9 7 7 100 30 4 4 4 4 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 76 76 dd 1H J 13 76 \| 75 74 m 2H \| 28 27 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1[C@@H](Cc2nnn[nH]2)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N1CC1CC1	ir: 2 3 1 3 1 2 2 2 3 2 2 2 2 3 4 2 1 2 1 1 1 2 1 1 1 1 2 1 4 2 2 3 4 3 2 2 2 2 1 2 3 3 3 7 4 4 16 19 4 8 13 13 27 4 9 6 4 1 2 2 2 1 1 2 2 2 3 3 4 4 2 3 1 1 2 1 2 1 2 2 2 2 1 1 1 1 3 8 6 1 3 2 2 4 3 2 2 2 5 9 8 3 3 2 3 2 1 3 4 2 4 1 1 2 2 2 4 2 6 4 3 5 4 3 5 6 3 4 4 5 3 2 3 7 4 2 1 2 2 3 4 2 2 1 2 3 11 11 20 8 3 4 3 100 4 6 3 0 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 3 3 3 6 6 5 12 34 19 6 6 2 2 2 2 2 2 3 2 1 1 1 1 1 1 1 1 2 1 1 2 4 5 78 7 3 2 2 1 1 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; 1HNMR: 74 72 m 8H \| 47 47 m 1H \| 36 35 m 2H \| 35 34 d 2H J 53 \| 32 31 m 1H \| 30 29 m 1H \| 24 23 ddd 1H J 66 81 137 \| 21 20 ddd 1H J 60 87 136 \| 15 14 m 1H \| 6 5 m 2H \| 4 3 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(N)ccc1-n1cncn1	ir: 8 9 16 15 13 14 13 8 8 9 6 7 7 8 6 6 6 7 6 7 6 6 6 8 7 6 6 7 7 6 7 6 6 5 7 9 8 5 6 6 8 8 10 6 6 7 9 7 6 5 6 7 11 7 11 7 6 9 11 7 6 5 6 6 8 9 8 23 18 8 6 6 5 5 8 6 6 5 7 8 7 6 6 6 6 6 6 6 5 7 12 8 5 5 6 8 6 7 7 6 5 5 6 5 5 6 9 6 6 10 10 6 5 5 6 6 5 6 6 5 5 5 6 5 6 7 6 5 5 5 6 5 5 5 6 5 5 5 5 5 5 5 10 5 5 6 6 5 6 6 6 6 8 18 17 63 57 11 9 5 5 8 28 55 8 4 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 5 6 7 7 8 8 30 22 7 8 6 5 5 5 6 5 5 5 6 5 5 5 6 5 36 18 6 6 5 5 5 5 5 6 6 0 90 100 20 4 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 6 6 6 6 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 89 89 d 1H J 16 \| 83 83 d 1H J 16 \| 76 76 d 1H J 84 \| 68 67 dd 1H J 21 83 \| 64 64 d 1H J 22 \| 44 44 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.
COC(=O)c1cc(OCc2c(-c3ccc(F)cc3)noc2CO)nn1C	ir: 3 7 3 2 3 4 5 4 3 8 13 15 2 2 3 2 2 2 2 4 2 9 1 1 2 6 1 6 3 0 1 1 1 0 1 4 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 1 2 2 7 18 7 1 2 1 1 0 1 1 1 0 1 1 1 14 3 1 1 4 9 3 2 1 1 0 0 0 0 2 0 1 1 1 1 2 1 3 9 5 25 6 1 2 1 1 1 1 1 0 0 0 3 1 0 0 0 0 0 0 1 11 2 2 3 4 5 1 1 2 1 1 0 0 0 4 6 6 7 1 1 2 9 3 1 0 0 1 3 7 2 5 100 3 1 1 1 2 1 0 0 0 0 0 0 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 1 1 0 1 6 5 4 55 7 16 3 3 6 39 11 6 2 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 m 2H \| 72 71 m 2H \| 64 63 s 1H \| 55 55 s 2H \| 48 47 d 2H J 65 \| 42 42 t 1H J 65 \| 41 41 s 3H \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(NCc2ccccc2)C(C)(C)C1	ir: 7 4 6 3 7 4 9 5 8 7 13 10 8 5 2 5 5 1 2 2 2 3 3 3 2 2 2 3 2 3 8 3 5 3 9 18 30 11 25 60 33 18 12 7 10 2 3 3 3 4 2 2 3 1 3 7 4 9 9 3 3 2 7 4 3 2 4 9 6 4 2 4 3 7 2 4 12 6 4 2 1 1 1 1 1 4 3 2 4 14 6 2 2 2 3 5 5 5 2 4 3 2 4 2 4 3 6 14 19 4 6 5 9 12 5 40 16 15 2 9 25 11 10 10 7 5 2 15 9 6 10 14 5 14 7 27 18 22 12 3 4 3 6 9 8 4 2 3 3 2 7 90 4 5 3 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 4 4 2 2 4 2 3 2 2 2 4 3 5 9 20 7 18 46 13 4 2 1 3 1 2 3 2 1 2 2 2 2 2 3 4 7 12 100 21 14 3 3 2 1 1 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 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; 1HNMR: 74 72 m 3H \| 72 72 ddt 2H J 9 18 75 \| 39 39 ddt 1H J 10 49 139 \| 38 36 m 3H \| 35 35 d 1H J 128 \| 34 33 ddd 1H J 59 86 130 \| 29 29 dtp 1H J 15 46 77 \| 22 21 dt 1H J 49 75 \| 20 19 dddd 1H J 48 59 86 132 \| 18 17 dddd 1H J 47 58 84 131 \| 15 14 s 7H \| 10 9 d 3H J 14 \| 9 9 d 3H J 16	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)Cc1cc2c(F)cccc2nc1CNC(=O)OC(C)(C)C	ir: 16 11 15 6 5 2 4 2 1 3 9 2 1 3 8 3 2 2 2 2 6 3 3 2 3 4 5 6 14 13 14 50 41 23 7 7 10 10 7 3 2 2 1 5 6 5 2 3 2 2 7 9 36 17 5 6 5 3 3 3 2 3 2 2 1 1 1 0 2 4 5 2 7 19 13 3 4 1 1 1 1 4 14 20 34 23 13 5 2 2 1 2 2 6 3 3 4 5 6 5 5 5 4 10 2 2 2 2 2 6 3 2 2 1 4 9 3 7 4 7 12 20 6 4 6 3 4 5 12 11 17 31 11 9 4 8 2 1 3 9 100 17 4 12 30 27 12 30 17 60 6 6 3 0 4 36 1 3 3 1 1 1 1 1 2 48 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 4 3 3 1 2 3 3 1 2 2 1 2 4 7 12 25 3 14 61 10 8 3 1 2 2 1 1 1 2 1 2 1 2 1 1 1 1 1 1 6 5 10 51 44 21 6 2 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 m 1H \| 78 78 dd 1H J 14 73 \| 75 75 ddd 1H J 51 72 82 \| 72 72 m 1H \| 62 62 t 1H J 55 \| 45 45 d 2H J 55 \| 38 38 d 2H J 9 \| 27 26 q 4H J 68 \| 14 14 s 8H \| 11 10 t 7H J 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(C(C)N=[N+]=[N-])cc(Cl)c(F)c1Br	ir: 13 12 5 11 13 9 7 9 16 9 4 9 35 30 14 22 12 16 13 9 9 4 3 11 12 21 14 16 13 4 4 10 14 4 2 10 9 1 6 16 37 23 6 10 11 33 5 10 7 1 5 12 8 1 5 10 6 0 6 13 38 28 17 17 7 4 42 85 31 64 9 15 22 24 18 12 7 14 18 10 4 4 11 17 43 48 26 18 4 4 10 8 4 3 11 8 8 27 36 17 11 9 27 8 56 46 12 8 7 8 13 8 2 6 10 7 3 13 16 11 1 8 14 5 7 28 40 39 16 11 10 5 3 7 9 14 20 10 9 5 4 7 7 4 14 32 7 4 5 24 28 0 2 9 7 1 3 9 14 0 4 9 5 1 4 9 5 0 5 9 5 0 5 9 5 1 5 9 5 2 6 8 4 1 6 8 4 2 6 8 3 2 6 7 3 2 6 7 3 3 7 7 3 3 7 6 13 41 9 7 2 3 8 6 1 4 8 6 1 4 8 5 1 4 9 5 1 5 9 5 1 5 8 4 1 5 8 4 1 5 8 4 2 6 8 4 2 6 7 3 2 6 7 3 3 7 7 3 3 7 7 2 3 7 6 3 4 7 6 4 14 13 6 2 5 8 5 2 5 11 10 4 12 39 37 3 13 100 20 7 7 7 5 3 5 7 4 2 6 7 4 4 6 7 4 3 6 7 4 3 6 6 3 3 6 6 3 3 7 6 3 4 7 6 3 4 7 6 2 4 7 5 2 4 7 5 2 4 8 5 2 5 8 5 2 5 8 4 2 5 7 4 2 5 7 4 2 5 7 4 3 6 7 4 3 6 6 3 3 6 6 3 3 6 6 3 4 6 6 3 4 7 6 3 4 7 5 2 4 7 5 2 4 7 5 2 5 7 5 2; 1HNMR: 74 74 dd 1H J 7 44 \| 40 39 qd 1H J 7 79 \| 38 38 s 3H \| 15 14 d 3H J 78	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(NO)c1cccc(Br)c1	ir: 3 4 3 2 3 4 3 3 2 3 2 8 5 9 7 2 1 1 1 1 1 1 1 1 2 1 1 2 1 1 7 4 2 2 3 5 3 2 2 3 6 1 2 2 3 1 9 18 2 15 11 1 2 3 2 5 5 10 5 17 5 4 1 1 8 11 51 7 6 3 2 3 2 0 1 2 1 1 1 1 2 1 7 17 2 13 18 2 4 2 3 5 5 9 20 18 12 40 31 8 2 2 1 2 1 1 1 1 1 1 1 2 2 5 26 20 8 19 1 4 2 2 1 11 0 1 1 1 0 0 1 0 0 0 0 0 1 1 3 7 5 1 0 0 0 1 0 0 1 1 1 2 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 1 0 1 1 1 1 1 1 1 0 1 2 1 1 3 2 3 17 6 2 1 2 3 3 10 28 10 4 2 1 2 3 5 2 3 3 3 3 43 100 31 23 7 2 4 4 2 1 2 1 0 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; 1HNMR: 83 83 d 1H J 51 \| 79 79 t 1H J 20 \| 79 79 dt 1H J 20 81 \| 76 76 dt 1H J 17 77 \| 76 75 m 1H \| 72 71 d 1H J 51	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC1CCC(C2CCC(/C=C/C=O)CC2)CC1	ir: 9 5 1 6 10 5 2 7 8 3 0 5 8 3 1 5 7 2 2 6 8 2 2 8 9 2 1 6 7 2 4 8 7 6 8 23 16 4 4 8 10 9 9 9 6 5 4 9 5 2 6 10 9 5 8 12 8 1 6 9 4 1 7 10 6 2 9 12 5 9 8 10 4 1 6 15 5 4 8 10 4 6 28 47 34 50 43 14 4 4 8 7 2 3 8 7 4 8 9 15 5 20 23 27 30 22 63 24 14 30 33 28 17 12 17 12 14 20 15 15 8 19 12 16 7 31 34 86 35 42 32 21 16 22 17 7 3 9 7 3 2 6 7 3 2 7 9 4 30 100 9 4 5 7 5 2 4 7 5 1 10 18 5 1 3 7 4 1 3 7 4 1 4 7 4 0 4 7 3 1 4 7 3 1 4 6 3 1 5 6 2 1 5 5 2 2 5 5 2 2 5 5 2 2 6 5 1 2 6 5 1 3 6 4 1 3 6 4 1 3 6 4 1 3 6 4 0 3 7 3 1 4 6 3 1 4 6 3 1 4 6 3 1 5 6 3 1 5 6 3 2 5 5 3 2 5 5 3 2 6 5 2 3 6 6 3 4 7 6 3 8 12 8 9 12 17 10 16 20 11 27 16 24 76 82 83 19 17 9 1 6 8 4 1 5 7 3 1 4 6 3 1 4 6 2 1 5 6 2 2 5 5 2 2 5 5 2 2 5 5 2 2 6 5 1 3 6 4 1 3 6 4 1 3 6 4 1 3 6 4 1 3 6 3 1 4 6 3 1 4 6 3 1 4 6 3 1 4 5 3 2 4 5 2 2 5 5 2 2 5 5 2 2 5 5 2 2 5 4 2 3 5 4 2 3 5 4 1 3 5 4 1 3 6 4 1 3 6 4 1; 1HNMR: 94 93 dt 1H J 12 71 \| 65 64 ddq 1H J 10 78 160 \| 61 60 ddd 1H J 18 71 161 \| 24 23 dtdd 1H J 10 19 59 78 \| 17 16 ddtd 2H J 9 60 86 120 \| 16 11 m 21H \| 9 9 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cc1ccc(Cl)c(OC(F)(F)F)c1)N1CCCc2c1cnn2-c1ccc(F)cc1	ir: 4 1 3 7 7 18 5 4 11 3 6 3 4 4 4 10 4 4 24 6 9 3 2 5 4 9 3 2 3 7 2 5 3 2 2 2 4 2 8 8 6 17 4 12 1 1 6 4 3 5 3 5 19 6 33 48 5 10 5 0 2 6 3 1 3 3 4 7 23 16 2 1 2 2 2 2 2 2 1 1 2 3 4 2 2 4 8 14 3 6 1 7 8 27 23 7 5 43 10 38 15 28 11 31 39 8 4 4 6 13 15 5 4 7 2 5 4 5 1 4 5 9 7 11 11 6 5 6 6 37 8 3 2 4 7 2 2 2 2 5 6 5 3 2 6 10 3 12 48 17 5 3 5 21 5 1 2 2 2 1 1 8 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 2 2 2 5 6 6 3 3 3 2 3 5 19 11 42 100 27 14 7 3 2 4 3 3 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; 1HNMR: 80 79 s 1H \| 75 75 m 2H \| 73 73 d 1H J 82 \| 72 72 m 2H \| 72 71 m 2H \| 42 41 dt 1H J 48 123 \| 40 39 dt 1H J 48 123 \| 35 35 t 2H J 9 \| 29 29 m 2H \| 21 20 tt 2H J 49 69	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C)(Br)C(=O)OC(C)(C)C	ir: 6 18 49 48 16 19 7 8 16 14 22 5 20 21 37 32 19 8 4 2 2 1 2 1 1 1 1 1 0 1 1 0 1 1 2 4 3 3 8 2 4 4 4 5 6 10 5 2 1 0 1 1 1 1 2 14 4 3 3 3 7 12 9 11 6 6 1 1 2 6 14 12 5 2 1 2 1 4 13 11 5 10 11 7 1 2 4 10 9 3 2 1 1 2 2 2 4 8 14 3 0 15 30 2 3 2 1 2 3 2 1 2 4 6 6 52 43 32 64 52 17 15 9 19 11 5 8 36 36 28 48 21 11 5 2 1 3 0 1 2 3 1 2 13 33 54 10 4 1 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 0 0 0 0 0 0 1 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 3 3 9 11 11 4 4 2 4 4 2 3 5 9 18 26 87 100 17 5 5 2 1 2 2 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 22 21 dq 1H J 73 148 \| 19 18 m 1H \| 19 19 s 4H \| 15 14 s 8H \| 11 10 t 3H J 74	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccccc1C1CCN(CC2CN(Cc3ccccc3)CC2c2ccccc2)CC1	ir: 3 2 1 2 2 2 1 6 1 1 0 1 1 3 4 1 1 1 0 0 1 1 2 1 1 1 0 1 1 1 4 8 3 2 1 4 1 1 2 6 26 10 10 2 1 1 1 2 2 0 0 0 1 0 1 1 1 0 0 1 1 1 2 2 1 1 2 4 9 7 2 1 2 2 4 6 5 9 7 4 13 5 2 2 2 2 4 13 6 10 6 4 1 3 2 2 4 3 3 2 3 1 3 3 1 3 2 3 3 1 0 1 1 1 1 1 0 1 1 1 1 1 1 2 1 1 1 1 3 3 2 3 1 2 4 18 3 11 4 3 1 3 5 20 4 3 2 3 5 14 1 2 3 1 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 2 2 4 2 4 9 13 15 100 15 10 2 0 1 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; 1HNMR: 73 71 m 14H \| 36 35 m 2H \| 31 31 m 1H \| 31 30 dd 1H J 39 111 \| 29 28 m 5H \| 26 26 m 2H \| 25 25 ddd 2H J 52 80 121 \| 25 24 m 2H \| 23 22 d 3H J 7 \| 22 21 ddt 2H J 53 81 125 \| 19 18 ddt 2H J 54 81 126	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccccc1Sc1ccc2nccn2n1	ir: 5 3 0 5 1 2 2 1 2 4 13 30 19 2 9 6 3 3 0 1 2 1 1 7 2 1 0 1 1 3 1 1 1 0 1 4 2 1 2 2 2 2 62 16 3 2 3 6 1 1 1 1 1 1 1 1 3 4 12 99 15 8 3 2 1 1 1 4 8 4 1 1 1 1 1 6 2 1 2 4 1 0 2 1 1 5 5 1 1 1 1 3 2 3 6 5 16 9 4 3 2 26 2 2 3 29 10 3 1 1 3 1 0 1 4 1 0 1 3 3 16 13 6 2 1 2 2 2 3 1 1 2 2 4 27 3 17 41 3 13 1 2 2 1 4 11 11 37 15 24 23 7 10 8 3 1 1 3 5 4 7 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 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 0 1 2 3 1 2 5 8 3 4 100 36 25 25 16 9 11 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 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 80 80 d 1H J 42 \| 80 79 m 1H \| 78 78 d 1H J 81 \| 76 75 m 2H \| 75 75 d 1H J 79 \| 74 74 m 1H \| 72 72 d 1H J 42 \| 39 39 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC1CCN(C(=O)N2CC(NC(=O)c3ccccc3)CC(c3ccc(C(F)(F)F)cc3)C2)CC1	ir: 2 1 1 2 2 1 1 1 1 1 1 1 0 1 2 2 0 3 7 5 2 5 3 2 2 2 3 1 3 1 3 2 5 5 12 32 100 23 21 7 3 1 1 2 2 2 2 1 2 1 3 4 2 2 9 32 3 3 2 0 1 1 2 1 1 1 2 2 1 1 3 5 2 2 1 1 1 1 5 1 1 1 1 1 1 1 8 3 2 1 1 1 1 2 2 1 1 3 8 19 4 4 4 2 2 3 7 7 5 4 9 5 22 5 11 3 2 2 2 2 4 3 5 3 9 7 5 10 5 2 2 2 2 3 5 5 1 1 7 2 6 12 54 14 6 7 69 28 9 10 5 10 3 4 1 1 1 1 1 1 1 1 2 1 1 0 1 0 0 1 0 1 0 0 0 1 1 0 1 5 0 1 0 0 1 1 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 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 1 1 0 0 0 0 1 0 1 0 0 1 0 0 1 0 1 1 0 1 1 1 0 0 1 1 1 2 2 2 2 2 3 3 1 2 6 5 4 14 46 11 8 2 2 1 2 1 1 1 1 1 1 1 1 2 1 2 2 2 1 1 1 4 10 22 9 3 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 76 76 dq 2H J 14 73 \| 76 75 m 2H \| 75 75 m 1H \| 75 74 m 2H \| 73 72 m 2H \| 69 68 d 1H J 83 \| 41 40 dtt 1H J 41 62 82 \| 40 40 dd 1H J 49 117 \| 39 38 dd 1H J 40 119 \| 38 37 m 3H \| 36 36 dd 1H J 41 118 \| 34 34 ddd 2H J 47 74 117 \| 31 30 m 1H \| 27 26 p 1H J 48 \| 25 24 ddd 1H J 63 75 140 \| 21 20 m 3H \| 19 18 ddt 2H J 46 73 121	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CNc1cccc2c(-c3cc(C)nc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nn12	ir: 5 4 2 2 3 3 1 2 2 2 2 2 3 9 3 3 8 3 3 14 10 9 12 11 7 6 5 9 8 7 9 5 5 2 3 49 13 12 3 0 1 3 2 3 1 2 1 1 1 2 2 2 4 51 13 17 26 1 2 0 2 2 6 3 5 2 3 0 2 4 8 1 2 2 1 1 1 6 3 1 1 2 1 1 1 1 3 0 1 1 1 1 2 1 0 1 3 1 2 1 1 3 1 1 2 2 2 5 5 4 2 3 2 3 4 3 2 2 6 4 3 4 5 6 9 8 1 3 6 21 5 2 3 6 2 4 7 8 2 2 3 1 2 7 100 13 5 8 40 21 7 2 3 2 2 1 1 2 11 2 15 3 3 24 2 1 1 0 1 1 1 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 1 1 0 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 1 1 1 0 0 0 1 1 1 1 0 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 3 3 5 3 5 20 14 3 6 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 3 7 65 45 12 6 3 2 2 2 1 1 0 1 1 1 1 0 1 1 0 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 1 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 t 1H J 59 \| 81 80 dd 1H J 13 90 \| 77 77 m 2H \| 75 75 s 1H \| 74 73 dd 1H J 71 88 \| 72 71 m 2H \| 69 69 dd 1H J 14 72 \| 57 57 d 1H J 66 \| 43 42 dp 1H J 44 64 \| 41 41 d 2H J 57 \| 36 36 s 2H \| 25 24 s 3H \| 21 20 m 1H \| 21 21 s 0H \| 18 15 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1nc(C(=O)OC)c(I)c(N)c1F	ir: 23 16 3 6 14 11 12 5 7 3 2 5 2 2 3 2 2 2 2 1 2 3 2 3 2 2 2 2 3 2 3 3 2 1 2 3 3 3 5 4 3 1 6 9 5 7 2 4 3 2 2 2 2 2 2 2 2 2 3 3 2 1 2 2 2 2 4 3 2 2 1 2 1 1 2 2 2 1 2 2 2 2 5 7 3 3 3 2 1 2 2 2 1 5 2 2 2 1 2 3 34 4 2 2 1 1 2 2 2 2 2 2 1 2 3 5 4 3 2 2 3 4 11 15 3 3 2 2 3 2 2 1 3 2 2 1 1 2 2 1 2 12 6 3 1 2 3 13 2 2 5 3 4 8 2 2 8 16 74 71 6 4 2 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 2 2 2 1 2 4 3 3 3 3 2 1 2 5 4 3 2 3 1 1 1 2 2 1 2 2 1 0 2 2 1 0 2 3 1 52 83 1 2 2 1 2 1 1 2 3 0 25 100 1 5 3 0 1 2 2 1 1 2 1 1 1 2 1 1 2 2 2 1 1 2 1 1 1 2 2 2 2 2 1 1 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 47 46 d 2H J 48 \| 39 39 s 3H \| 28 27 qd 2H J 44 70 \| 13 13 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccccc1	ir: 9 14 20 11 10 8 2 6 6 7 6 7 11 7 3 8 6 8 11 9 8 5 8 6 8 4 6 8 7 6 3 12 8 23 13 23 7 5 3 10 16 14 16 10 7 4 13 7 7 2 3 8 4 0 3 11 4 0 4 7 4 0 4 6 9 7 35 20 11 6 12 8 3 1 6 6 3 2 5 8 3 1 7 8 3 2 7 7 4 4 8 5 2 3 17 12 4 32 47 21 4 11 14 5 2 3 6 5 13 5 7 4 0 6 7 15 1 9 6 3 2 5 10 5 2 6 37 28 10 5 6 4 3 7 10 13 4 11 6 3 2 7 9 8 10 10 8 4 4 11 8 39 43 20 5 4 4 5 5 2 22 6 4 1 3 6 3 1 3 6 3 1 3 5 3 1 4 6 3 1 4 5 7 1 4 5 2 1 4 5 2 1 4 5 2 2 4 4 2 2 4 4 2 2 5 4 2 2 5 4 1 2 5 4 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 4 5 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 3 5 4 1 3 5 4 2 3 5 4 2 3 5 4 1 3 7 6 9 26 100 56 6 7 10 5 1 4 5 4 3 4 5 3 3 4 8 5 5 30 24 7 8 11 12 7 8 14 16 20 17 20 18 17 8 12 13 6 6 10 7 9 7 8 6 3 3 6 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 3 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 3 4 3 2 3 4 3 1 3 4 3 1 3 5 3 1; 1HNMR: 78 78 q 2H J 10 \| 76 75 m 2H \| 75 74 m 2H \| 74 73 m 1H \| 44 44 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC(c1ccncc1)c1ncn2ccsc12	ir: 2 2 1 2 1 3 3 23 17 5 1 2 2 1 0 1 2 2 6 1 0 1 2 2 32 5 5 2 10 13 1 3 2 5 12 3 16 7 12 51 18 3 3 9 37 14 12 3 3 7 13 8 22 14 23 3 2 6 4 2 19 24 6 4 2 4 13 11 63 6 4 4 7 49 2 0 1 2 3 26 5 2 3 5 12 20 7 12 12 3 11 6 9 5 18 65 11 7 25 10 1 1 1 2 1 1 0 1 1 2 4 4 33 5 3 6 1 3 9 11 5 6 8 1 1 1 1 1 1 1 3 5 27 45 3 2 8 3 1 1 1 1 0 1 1 1 2 6 9 16 11 4 5 7 100 3 1 2 1 0 0 1 1 0 1 1 1 0 1 7 1 1 1 1 2 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 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 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 3 2 1 2 2 2 2 2 3 10 4 3 2 8 24 38 72 29 39 46 43 10 3 7 73 3 2 2 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 87 86 m 2H \| 79 79 s 1H \| 74 74 dt 2H J 8 37 \| 73 73 d 1H J 52 \| 73 72 d 1H J 51 \| 61 60 dd 1H J 9 49 \| 44 43 d 1H J 48	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC1CCc2[nH]c3c(F)cc(F)cc3c2C1	ir: 2 1 1 1 4 9 2 1 2 3 11 2 1 5 16 6 3 1 3 9 1 3 2 1 1 2 7 0 69 15 3 1 1 2 5 6 39 18 11 7 6 22 80 25 19 17 13 9 2 4 2 1 2 8 6 3 1 1 1 10 6 5 5 2 3 10 49 37 18 4 4 5 4 8 22 4 3 5 2 4 4 8 5 5 2 3 1 1 1 1 0 1 2 3 14 8 1 1 7 15 31 37 26 4 20 9 27 9 4 19 3 3 4 5 8 27 21 8 12 17 10 5 13 11 9 7 17 5 6 3 19 34 15 48 7 2 2 6 13 2 1 2 1 1 2 2 1 7 4 2 1 0 1 17 8 1 3 25 1 1 2 12 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 0 1 0 0 1 0 0 0 1 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 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 1 1 1 1 1 1 1 1 4 4 3 3 3 3 3 3 1 4 9 12 0 19 68 22 15 5 1 6 5 1 2 2 2 3 2 2 2 2 3 7 16 62 100 45 9 7 2 6 85 87 27 7 2 2 1 1 1 2 2 2 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 0 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 1 1 1 0 0 1 1 1 1 1 0 0 1 1; 1HNMR: 91 90 d 1H J 46 \| 71 70 td 1H J 22 121 \| 70 69 dd 1H J 22 121 \| 39 38 dq 1H J 46 60 \| 32 31 dd 1H J 56 153 \| 32 31 tdt 1H J 42 56 64 \| 30 29 ddd 1H J 49 75 154 \| 29 28 ddd 1H J 49 76 154 \| 27 27 dd 1H J 57 154 \| 25 24 dd 3H J 15 46 \| 21 20 ddt 1H J 49 76 126 \| 19 18 ddt 1H J 49 75 125	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1nc2cc(Cl)ccc2[nH]1)N1C[C@H]2CNC[C@H]2C1	ir: 6 9 15 8 18 10 7 8 7 7 8 8 12 9 9 9 6 10 11 30 12 8 19 22 19 100 42 23 12 11 14 10 7 9 13 9 9 14 7 10 9 8 14 10 12 6 29 9 16 9 8 9 9 6 10 7 10 10 17 21 16 9 16 8 8 11 30 20 33 10 11 8 8 9 8 7 7 7 7 7 7 7 6 7 7 7 7 7 7 10 7 8 10 7 11 12 17 13 10 16 16 9 6 16 18 40 15 57 50 19 11 13 7 26 25 13 12 14 25 10 12 14 13 10 22 8 22 20 20 53 19 6 5 8 10 14 18 8 7 6 6 6 7 7 6 7 14 8 7 5 6 10 31 24 7 55 0 12 8 4 6 9 8 5 6 8 6 5 6 8 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 7 6 6 6 6 6 6 6 6 6 7 6 6 7 7 7 6 6 6 6 6 6 6 6 6 6 7 7 7 8 7 7 8 7 7 8 17 11 10 13 11 13 37 22 11 9 8 7 7 7 6 7 7 7 6 7 7 7 6 10 14 25 77 10 8 8 9 13 38 42 22 9 10 9 8 7 6 7 7 6 6 7 7 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6; 1HNMR: 76 76 d 1H J 78 \| 75 75 d 1H J 22 \| 73 73 dd 1H J 22 77 \| 39 38 dddd 2H J 9 16 119 212 \| 37 36 ddd 2H J 23 119 232 \| 31 30 m 2H \| 28 28 dddd 2H J 23 44 55 122 \| 22 21 dq 3H J 43 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O	ir: 0 1 1 1 0 1 1 2 2 1 2 4 8 4 6 3 4 3 5 7 4 27 9 6 4 1 3 3 4 2 6 7 16 9 4 2 5 2 1 2 1 2 2 2 1 1 1 2 1 0 1 1 1 1 2 2 2 2 7 4 5 1 2 1 1 1 6 11 2 5 2 1 1 2 2 2 7 6 8 19 6 3 6 4 2 1 3 2 2 1 2 1 1 1 2 2 1 1 1 1 0 1 1 1 1 2 2 2 1 4 2 2 1 2 2 2 1 2 2 3 2 2 5 4 10 4 2 2 1 3 3 2 4 8 10 2 1 1 2 1 2 3 5 14 6 12 7 4 3 2 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 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 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1 1 1 1 0 1 1 1 2 1 1 1 1 1 2 1 2 1 2 2 2 4 2 1 0 1 1 1 1 1 2 1 1 29 33 4 3 2 3 17 8 3 3 1 1 8 58 100 13 6 4 7 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 98 98 s 1H \| 82 82 d 2H J 60 \| 82 81 d 1H J 82 \| 46 45 dt 1H J 42 82 \| 39 38 tt 1H J 39 60 \| 33 32 dd 1H J 38 137 \| 32 31 dd 1H J 41 133 \| 31 30 dd 1H J 38 137 \| 29 29 dd 1H J 42 132 \| 20 20 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)NC(=O)c1cccnc1C[C@H](O)[C@H](N)Cc1ccccc1F	ir: 3 5 3 3 3 3 7 3 1 2 4 3 2 4 5 7 5 9 7 3 6 15 19 19 11 8 8 18 5 5 17 12 5 11 26 19 7 3 25 26 9 25 48 100 8 9 6 4 5 10 3 2 4 6 8 2 2 4 2 2 9 6 11 4 4 4 4 8 15 15 8 20 11 8 8 37 17 2 7 6 21 28 9 22 9 7 4 9 2 5 7 6 7 5 3 6 8 9 9 38 40 33 5 5 4 4 4 5 4 3 3 5 6 8 9 19 4 5 9 5 6 3 3 4 7 9 9 16 16 13 14 35 61 23 10 7 8 14 18 11 8 6 6 11 10 12 8 3 53 12 2 6 4 2 25 9 3 3 29 0 1 3 2 1 2 2 2 1 2 1 2 2 1 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 2 3 2 2 2 1 2 2 1 1 1 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 3 2 3 3 3 2 4 3 3 3 4 4 6 4 6 9 4 11 43 19 15 22 20 14 9 14 3 4 5 6 7 14 24 10 5 15 12 13 25 14 72 42 48 7 10 7 3 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 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 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 86 86 dd 1H J 20 44 \| 81 80 dd 1H J 22 81 \| 74 74 dd 1H J 44 81 \| 73 71 m 3H \| 71 70 m 2H \| 41 40 dhept 1H J 56 77 \| 40 39 m 1H \| 39 39 d 1H J 53 \| 35 34 dtd 1H J 61 70 132 \| 33 32 dd 1H J 61 171 \| 31 30 m 2H \| 30 29 d 2H J 62 \| 28 28 dddd 1H J 8 35 70 156 \| 12 12 d 6H J 57	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)C1CCN(Cc2ccc(-c3cc4ncnc(Nc5ccc6[nH]ccc6c5)c4s3)cc2)CC1	ir: 5 1 1 7 6 5 3 4 4 3 4 8 3 7 5 10 5 6 7 8 5 16 12 4 2 2 3 5 6 5 16 10 12 16 12 6 2 5 30 25 5 4 4 2 7 11 7 10 15 9 5 0 2 3 6 11 3 6 5 1 1 2 1 2 1 2 2 6 5 3 2 4 2 2 2 0 2 2 3 7 3 1 1 1 2 4 7 1 3 2 3 3 7 17 2 12 3 2 1 4 7 6 10 1 2 2 3 2 3 1 2 6 2 1 0 1 2 2 1 2 2 1 1 2 3 1 2 2 3 1 0 1 1 1 1 2 3 5 4 4 3 11 11 16 20 8 25 14 14 11 17 11 8 3 7 100 84 39 61 17 4 3 1 1 4 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 0 0 0 1 0 1 1 1 1 1 1 1 3 1 1 1 2 2 6 7 8 13 12 9 7 6 5 1 1 1 1 1 1 1 1 2 6 3 9 10 4 3 2 4 11 14 7 38 17 11 10 40 59 9 4 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 96 95 s 1H \| 87 87 d 1H J 66 \| 86 85 s 1H \| 78 77 m 2H \| 77 76 t 1H J 21 \| 75 75 s 1H \| 74 74 dd 1H J 22 71 \| 74 73 dt 2H J 9 79 \| 73 73 d 1H J 71 \| 72 72 dd 1H J 31 67 \| 64 63 s 2H \| 63 63 m 1H \| 36 36 t 2H J 9 \| 29 28 ddd 2H J 53 81 123 \| 27 26 ddd 2H J 54 81 123 \| 24 23 p 1H J 53 \| 21 20 ddt 2H J 52 81 133 \| 19 18 ddt 2H J 53 81 132	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CCOc1ccccc1C=O	ir: 1 1 2 1 1 9 6 4 3 3 1 1 1 1 1 1 2 1 1 2 1 1 1 1 2 3 11 10 4 1 1 1 0 1 1 1 1 0 0 4 8 31 86 7 2 6 2 0 5 3 1 0 0 1 1 2 5 2 10 15 4 7 11 2 3 3 4 4 6 8 6 3 3 5 4 4 1 1 1 1 1 2 2 2 7 5 1 1 1 1 1 5 5 0 0 2 4 1 0 0 1 1 1 4 7 1 1 7 12 6 2 1 1 1 1 1 1 3 4 3 4 3 2 2 4 1 0 1 1 1 0 1 1 1 1 3 8 37 24 3 1 1 1 0 0 1 1 2 36 13 4 1 1 3 5 1 7 14 3 3 21 6 2 2 1 0 0 0 0 1 0 0 0 0 0 1 0 1 1 6 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 1 1 0 0 1 2 0 1 1 1 1 1 2 1 0 2 2 2 2 5 7 7 100 43 11 6 2 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 dd 1H J 15 79 \| 74 73 m 1H \| 71 70 m 3H \| 49 48 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C1CC=C(c2nc3ccc(O)cc3nc2C(F)(F)F)CC1	ir: 1 1 0 1 2 1 1 2 3 1 1 2 3 3 4 1 1 2 7 5 12 10 46 6 6 2 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 2 1 0 1 2 2 1 4 15 1 1 1 0 0 1 0 0 2 1 7 3 2 2 1 1 1 0 2 3 5 12 3 2 3 29 3 2 3 3 3 1 1 1 0 1 2 21 5 3 19 2 1 1 0 1 1 2 1 1 1 2 2 2 1 3 6 5 1 2 2 3 2 1 1 1 0 1 0 2 0 0 0 1 1 0 1 1 1 0 0 0 1 1 2 7 2 1 1 1 2 1 0 1 5 1 0 10 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 1 2 0 1 2 2 0 1 1 1 2 1 1 1 1 1 1 2 2 10 4 8 10 5 2 1 1 1 5 6 100 74 67 17 4 2 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 1 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 84 s 1H \| 79 78 d 1H J 93 \| 74 73 d 1H J 22 \| 71 70 dd 1H J 22 92 \| 65 64 tdt 1H J 9 18 62 \| 31 29 m 1H \| 29 28 m 1H \| 27 26 dddt 1H J 10 63 72 151 \| 26 25 pd 1H J 18 69 \| 24 23 dddt 1H J 10 64 72 152 \| 22 21 ddt 1H J 67 92 125 \| 19 18 ddt 1H J 67 92 125	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2nc(-c3c(F)cccc3F)nn2C)cc1Oc1ccc(C(F)(F)F)cn1	ir: 5 4 7 21 3 3 3 4 2 5 3 2 3 5 2 3 1 4 1 2 1 1 1 3 1 2 2 5 2 2 3 4 5 4 12 11 14 3 7 1 4 4 5 3 2 7 33 50 24 4 4 8 10 17 38 48 9 6 4 4 2 4 7 25 8 8 38 15 11 12 11 2 6 11 4 1 5 13 7 2 8 8 22 9 5 6 3 7 17 5 11 9 3 4 2 3 4 4 32 58 26 10 5 7 4 3 1 3 4 5 14 18 100 10 3 4 5 19 11 3 3 5 17 11 7 53 31 37 19 13 3 2 3 6 3 4 17 31 23 30 16 4 1 6 3 2 3 5 8 20 11 9 4 4 38 21 38 10 3 13 49 6 3 2 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 2 2 0 1 1 1 1 1 2 1 0 1 5 4 6 14 21 46 70 89 10 18 10 10 4 2 2 2 2 2 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 86 86 dq 1H J 13 24 \| 82 82 ddt 1H J 13 31 70 \| 81 81 d 1H J 17 \| 75 75 dd 1H J 16 84 \| 75 74 m 1H \| 73 73 m 2H \| 72 72 d 1H J 70 \| 70 70 d 1H J 84 \| 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.
Nc1cc2c(cc1N)C1CCC2CN(C(=O)C(F)(F)F)C1	ir: 6 17 18 5 1 2 2 3 5 15 28 16 10 7 4 5 3 4 3 2 2 1 3 1 1 3 1 2 2 3 1 1 6 3 3 0 1 1 2 3 1 3 3 1 2 2 1 0 1 1 1 1 1 1 1 1 1 2 1 0 1 1 1 0 1 1 5 13 3 1 2 1 1 2 2 2 1 2 1 0 1 3 2 1 1 3 13 2 1 2 1 6 1 1 1 1 1 2 7 5 2 2 2 1 2 1 1 4 1 1 0 1 1 1 1 1 1 1 0 1 1 2 2 2 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 6 8 2 1 2 5 7 1 1 2 15 23 8 1 0 1 1 3 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 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 0 1 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 1 7 1 1 2 12 2 1 1 0 1 1 0 1 1 1 1 0 1 1 0 1 1 8 35 5 1 1 0 1 1 1 1 2 1 100 20 2 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 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 0 0 0 1; 1HNMR: 64 64 d 2H J 6 \| 44 43 s 3H \| 41 41 dd 2H J 46 117 \| 39 38 dd 2H J 46 115 \| 33 32 m 2H \| 32 32 s 1H \| 22 21 ddd 2H J 40 90 114 \| 20 18 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCC(CCCCC)OS(C)(=O)=O	ir: 7 5 13 11 21 7 5 8 26 5 5 7 4 2 1 1 1 1 2 1 1 5 4 1 0 1 1 0 0 1 1 0 1 1 3 4 2 3 3 3 3 3 8 2 1 9 5 4 6 2 1 3 3 4 2 0 2 5 26 8 4 2 1 4 2 2 1 2 2 5 5 41 52 13 14 3 4 9 8 10 11 4 1 2 2 4 6 9 100 23 3 2 1 1 1 1 1 1 1 2 8 15 4 2 2 2 2 2 3 12 3 4 6 4 9 5 5 5 3 13 10 7 17 3 5 4 3 2 1 1 1 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 2 0 0 1 1 0 1 1 0 0 0 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 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 1 1 1 1 1 1 1 1 1 5 4 2 2 1 3 8 2 2 2 5 2 2 6 40 53 16 6 1 1 2 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 45 45 p 1H J 68 \| 31 30 s 2H \| 17 16 m 2H \| 15 12 m 15H \| 9 8 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC=CC1CCOC1	ir: 0 23 44 22 3 25 38 17 3 22 36 16 3 23 34 15 10 29 35 22 12 34 35 18 20 30 34 14 11 30 31 8 12 30 26 8 12 31 25 6 14 33 25 5 20 35 29 13 24 43 29 12 23 41 28 6 23 42 25 15 30 40 21 10 26 38 20 7 32 49 28 22 48 84 73 55 67 88 47 31 36 40 21 14 30 29 14 14 31 28 12 18 31 26 7 13 34 28 6 22 48 46 27 26 48 32 19 29 72 40 8 28 37 26 11 22 41 23 20 37 50 24 13 34 60 35 20 33 44 71 97 44 31 18 10 28 29 13 14 27 29 12 10 28 26 9 11 28 25 8 13 29 24 8 15 31 27 14 15 31 21 5 16 32 20 4 17 33 19 3 18 34 18 3 19 33 18 5 20 32 16 6 40 45 16 8 23 29 14 8 23 28 13 9 25 27 12 10 25 26 11 11 26 25 10 12 27 24 9 13 28 23 8 15 29 22 7 15 30 20 6 16 31 20 5 18 32 18 4 18 32 18 5 19 31 17 6 20 30 16 7 21 29 15 9 22 28 14 10 24 27 13 11 24 26 12 12 25 25 11 12 26 24 10 14 28 23 10 17 29 23 9 20 32 36 12 23 43 40 18 35 65 67 51 100 95 98 89 46 35 21 11 23 31 18 10 21 29 16 9 22 28 15 10 23 26 14 11 23 25 13 12 24 24 12 13 25 24 11 13 26 23 10 14 26 22 10 15 27 21 9 16 28 20 8 17 29 19 7 18 29 18 7 18 29 18 8 19 28 17 8 20 28 16 9 21 27 15 10 22 26 14 11 22 25 14 12 23 24 13 13 24 23 12 13 24 23 12 14 25 22 11 15 26 21 10 16 27 20 10 17 27 20 9 17 28 19 8 18 28; 1HNMR: 64 63 ddq 1H J 9 74 154 \| 56 55 dd 1H J 17 153 \| 39 39 dd 1H J 25 102 \| 38 38 ddd 1H J 27 46 106 \| 37 36 m 2H \| 28 28 dddd 1H J 26 46 65 73 \| 24 23 m 1H \| 21 20 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=CC1C(Sc2ccccc2)Oc2c(F)ccc(F)c2C1Cl	ir: 4 4 4 4 4 3 4 5 6 6 4 5 5 5 7 4 6 4 6 5 4 3 3 4 4 3 3 4 5 3 3 5 4 3 3 5 5 1 5 100 54 61 8 0 3 6 4 1 3 5 4 3 4 7 15 5 5 5 3 3 4 4 3 3 4 5 3 8 10 7 7 6 8 7 4 4 4 8 4 4 4 4 3 3 4 4 4 5 4 4 3 3 8 9 12 4 12 10 5 4 8 10 9 6 8 7 6 4 4 5 4 4 6 5 4 4 4 5 4 4 4 4 4 4 4 3 3 3 4 3 3 4 5 7 6 6 3 3 3 4 10 35 14 10 4 5 5 9 11 3 22 15 11 9 4 3 3 4 15 17 4 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 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 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 3 3 4 4 4 4 4 4 7 9 11 5 8 5 7 15 64 35 14 9 5 6 4 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 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 97 97 dt 1H J 16 88 \| 74 74 m 4H \| 73 73 m 1H \| 72 72 ddd 1H J 48 90 101 \| 71 70 ddd 1H J 48 90 103 \| 60 60 dd 1H J 18 48 \| 50 50 ddd 1H J 17 46 62 \| 37 37 ddd 1H J 49 60 88	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Brc1cnc(NC2CCN(Cc3ccccc3)C2)c2ncnn12	ir: 2 2 1 2 1 17 8 3 2 2 1 1 1 2 2 2 2 10 1 3 11 4 3 5 10 5 2 2 6 7 39 56 19 8 9 3 2 7 16 30 100 8 6 6 4 6 6 3 8 5 1 2 4 3 3 3 7 5 4 3 2 3 2 7 24 4 6 3 23 7 4 7 35 4 3 5 7 10 6 57 19 3 2 1 2 2 4 4 4 16 2 20 2 2 7 10 5 19 2 4 2 29 26 28 45 10 20 13 50 38 10 12 8 10 3 4 6 5 30 14 3 5 6 9 11 19 6 2 3 3 7 8 5 5 22 11 5 2 1 2 2 7 11 28 11 28 26 3 1 1 1 5 2 1 1 1 3 20 5 2 1 1 1 1 1 0 1 0 0 2 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 1 0 1 0 0 0 1 0 1 0 1 0 1 0 1 0 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 3 3 9 23 15 8 5 16 15 19 9 25 53 36 26 49 50 33 7 2 3 3 1 0 2 9 1 1 1 2 1 2 4 8 21 25 5 3 4 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 s 1H \| 83 83 d 1H J 73 \| 81 81 s 1H \| 73 72 m 5H \| 44 43 m 1H \| 36 35 m 2H \| 31 31 dd 1H J 20 115 \| 29 28 m 2H \| 26 25 ddd 1H J 49 67 127 \| 22 21 m 1H \| 19 18 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)Cc1ccc(N2CCOCC2)cc1OCC(F)(F)F	ir: 4 4 2 3 6 3 3 5 3 6 14 11 15 5 6 6 7 9 9 23 57 100 31 26 12 5 7 5 6 3 2 2 3 2 7 5 3 3 3 2 1 1 1 4 5 12 5 5 3 3 2 2 4 10 13 7 3 2 2 1 1 2 4 7 2 3 6 2 3 11 15 3 9 21 5 7 14 11 41 32 2 7 2 2 5 4 12 4 3 11 3 4 7 3 2 3 4 13 5 4 4 16 15 3 1 8 2 2 1 1 5 3 1 3 2 2 3 6 4 9 4 13 3 2 2 2 7 8 5 4 5 3 1 1 1 2 1 1 2 2 5 8 16 22 17 8 4 2 1 3 3 9 3 7 7 2 1 0 1 0 0 1 1 7 2 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 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 1 0 0 0 1 1 2 4 8 7 3 0 1 1 1 1 8 13 9 10 25 21 3 2 2 0 0 1 1 1 5 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; 1HNMR: 70 69 dt 1H J 9 86 \| 66 66 dd 1H J 22 86 \| 63 62 d 1H J 22 \| 48 47 q 2H J 130 \| 39 38 m 4H \| 36 35 d 2H J 7 \| 34 34 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1cc(OCc2ccccc2)ccc1-c1nc(-c2cnccn2)n[nH]1	ir: 0 1 2 1 1 1 2 3 1 4 5 10 12 8 4 4 2 2 2 3 1 2 2 1 1 1 2 1 2 1 2 3 1 2 1 1 1 2 2 2 3 2 1 1 1 2 3 2 2 4 6 10 9 2 2 7 2 1 1 1 2 2 2 2 5 3 4 8 8 9 5 3 3 1 2 1 1 1 1 1 1 14 5 11 11 3 1 2 5 3 1 1 1 1 1 1 2 2 0 3 3 2 1 45 0 1 1 1 1 1 1 1 3 10 1 1 1 1 1 1 2 1 1 1 1 1 1 1 3 2 9 10 2 1 2 6 11 1 1 1 1 1 3 6 2 1 3 3 3 1 1 3 10 12 2 5 1 1 1 1 1 1 1 15 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 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 2 1 7 31 19 7 2 4 3 4 2 38 100 3 2 1 4 1 1 1 1 1 1 1 1 1 1 1 3 3 23 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 93 93 d 1H J 15 \| 91 91 d 1H J 35 \| 88 87 dd 1H J 14 34 \| 77 77 d 1H J 87 \| 74 73 m 5H \| 73 73 m 1H \| 67 67 dd 1H J 22 86 \| 65 65 d 1H J 23 \| 51 50 t 2H J 9	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1N1CCN(CCC2CC3(CCCCC3)C(=O)O2)CC1	ir: 3 3 3 3 2 7 33 8 6 5 12 4 1 4 5 3 3 3 6 4 3 2 2 1 0 2 4 2 1 5 2 1 1 2 2 1 5 3 3 2 3 8 32 28 3 9 3 1 2 3 2 2 1 3 5 6 4 14 8 3 8 7 5 3 11 7 5 0 6 7 4 5 32 5 6 5 7 4 3 8 25 11 17 7 19 18 8 8 3 4 2 1 2 6 2 1 7 6 8 8 8 52 5 3 7 7 9 24 18 16 64 13 10 2 3 4 3 5 4 8 8 3 1 5 3 7 2 4 6 7 1 3 6 5 5 3 4 3 22 3 4 2 2 10 41 43 8 4 18 41 4 2 1 1 1 7 2 1 1 2 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 0 1 2 1 0 1 2 0 0 1 1 1 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 3 1 2 4 5 4 7 7 4 2 4 4 3 11 25 17 18 100 34 13 2 2 2 2 1 1 2 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 70 69 ddd 1H J 15 72 84 \| 69 69 m 2H \| 69 68 dd 1H J 16 72 \| 47 46 p 1H J 45 \| 39 38 s 2H \| 30 30 m 4H \| 28 28 s 1H \| 28 28 m 3H \| 28 27 m 1H \| 27 26 dt 1H J 77 123 \| 22 22 dd 1H J 44 136 \| 20 18 m 4H \| 18 14 m 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C(=O)CCCCc1cccc(C(O)CCNC(=O)C(F)(F)F)c1	ir: 6 4 5 4 4 3 6 4 4 4 5 4 3 5 3 4 4 4 5 5 5 6 5 5 3 5 5 4 4 5 4 3 12 3 7 11 11 12 30 26 24 23 14 12 10 11 15 17 8 8 5 3 4 6 4 3 4 4 3 2 5 4 4 5 6 7 6 5 13 13 9 3 4 4 3 3 4 6 9 8 7 4 4 5 5 6 8 22 37 31 7 6 7 5 4 4 6 5 17 20 4 3 3 3 4 3 4 5 3 4 7 11 10 13 7 6 6 8 4 9 12 8 9 8 14 4 3 7 6 4 3 6 5 6 4 4 4 6 6 7 16 8 6 7 13 13 37 56 37 12 5 3 5 2 4 3 4 3 3 2 3 3 3 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 3 2 2 3 3 3 3 4 3 3 4 3 3 3 3 3 5 3 4 4 4 4 4 3 6 15 6 4 4 23 13 2 4 5 3 0 6 100 46 10 1 1 3 6 3 3 4 4 3 3 4 6 15 25 14 14 7 5 4 4 2 2 3 3 2 2 4 3 3 2 4 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 73 73 dd 1H J 73 83 \| 73 72 dt 1H J 19 85 \| 72 71 td 1H J 8 20 \| 71 71 ddq 1H J 9 22 74 \| 70 69 tq 1H J 19 40 \| 49 48 m 1H \| 35 34 m 1H \| 33 32 m 1H \| 32 32 d 1H J 51 \| 29 29 s 5H \| 26 25 tt 2H J 8 81 \| 24 24 t 2H J 76 \| 22 21 ddt 1H J 49 64 146 \| 20 19 ddt 1H J 49 64 147 \| 17 16 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSC(=NC(C)=O)Nc1c(Cl)cccc1Cl	ir: 5 4 2 6 15 12 4 23 39 13 0 10 6 4 8 6 10 20 36 16 15 21 9 5 15 10 13 11 13 7 6 6 15 11 7 8 6 5 5 5 7 6 4 5 5 13 65 15 9 2 3 5 4 1 6 7 5 9 5 7 2 1 3 6 3 3 3 5 4 5 11 10 4 2 4 4 2 1 3 3 3 1 3 2 1 1 2 3 1 3 4 3 2 3 6 12 1 3 3 19 27 4 5 3 2 5 5 4 14 9 5 4 1 3 4 4 2 8 10 11 19 29 17 9 8 5 4 5 3 4 4 3 2 3 31 9 9 6 12 11 3 5 5 18 13 19 13 13 6 23 38 76 24 7 3 1 9 21 6 1 4 3 2 1 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 1 2 4 2 1 2 3 4 2 4 4 3 6 6 7 16 10 4 59 19 4 4 7 4 1 3 4 2 1 2 3 2 1 3 3 2 2 5 4 2 15 13 20 100 33 18 10 7 6 5 3 2 1 4 4 2 2 3 3 2 1 3 2 1 2 3 2 1 1 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1; 1HNMR: 92 92 s 1H \| 74 74 d 2H J 80 \| 72 71 m 1H \| 26 25 s 3H \| 23 23 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)c1nc2c(OCc3ccccc3)cc(Br)cc2[nH]1	ir: 2 2 2 2 3 3 4 2 2 3 2 5 12 5 2 2 4 7 3 2 2 2 6 3 4 3 30 7 2 3 8 4 2 3 2 2 2 4 10 7 19 8 5 1 2 3 2 1 3 11 3 1 2 3 2 1 2 3 3 0 2 3 2 0 3 28 21 13 18 15 2 3 2 2 14 4 2 3 4 7 8 2 2 2 2 3 3 3 15 10 2 2 2 2 2 2 3 10 100 5 4 3 3 2 2 8 3 6 17 4 3 2 2 10 5 2 1 3 23 2 4 3 4 3 2 2 2 2 1 2 2 2 1 3 7 12 17 1 1 3 3 2 11 16 10 23 2 2 2 1 3 7 4 1 2 3 5 4 2 2 2 4 5 5 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 5 1 32 26 8 18 4 1 2 3 2 2 3 3 2 1 2 2 2 2 2 2 2 4 3 3 2 2 27 24 16 16 3 2 2 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 89 89 q 1H J 10 \| 75 74 d 1H J 22 \| 74 74 dq 2H J 10 74 \| 74 73 m 2H \| 73 73 m 1H \| 72 72 d 1H J 20 \| 52 51 t 2H J 8	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1CCC(CN)CC1	ir: 0 1 1 1 2 1 11 3 7 3 7 4 2 4 2 1 1 1 10 5 1 1 1 1 0 1 1 1 1 1 1 2 1 1 1 0 1 1 0 1 1 1 1 1 1 1 8 8 3 2 4 4 2 12 10 7 12 0 78 28 5 7 11 3 5 58 26 15 9 5 6 9 9 3 9 10 21 5 3 3 5 8 7 2 1 0 1 1 0 0 1 1 1 2 4 3 2 2 2 6 2 2 3 3 6 6 16 12 8 11 15 5 11 15 4 3 1 3 4 5 4 11 11 9 2 3 2 4 4 9 19 10 21 20 20 41 46 28 9 7 2 2 2 27 10 4 2 2 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 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 1 1 1 1 1 2 4 4 3 3 3 3 4 3 3 4 3 4 4 2 1 1 1 1 1 1 1 1 1 1 3 4 10 15 24 33 29 9 3 3 4 9 100 42 15 11 4 3 0 1 1 0 1 1 1 0 1 1 0 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 37 36 s 2H \| 27 26 td 2H J 40 63 \| 24 24 p 1H J 63 \| 19 18 m 2H \| 17 15 m 4H \| 15 14 m 1H \| 14 13 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C/C=C/C/C=C\CCCCCCCCOC(C)=O	ir: 2 1 0 0 1 0 0 1 2 0 0 1 1 1 1 3 1 0 1 2 4 4 1 1 1 1 5 31 13 5 4 5 1 2 1 3 5 12 9 13 6 3 1 3 1 3 3 3 2 0 0 1 1 2 2 4 1 1 1 5 2 1 1 6 5 2 3 5 4 5 22 10 7 3 13 35 13 11 2 1 1 1 1 1 1 0 1 1 0 0 1 1 1 2 5 2 2 1 2 2 1 6 16 24 52 9 2 2 2 4 5 5 8 6 8 3 6 9 38 13 54 9 47 43 18 8 8 8 5 14 4 2 3 1 3 2 2 6 6 5 7 1 0 3 100 16 4 0 1 1 1 0 0 1 1 1 6 1 1 0 0 1 1 0 0 1 0 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 1 1 0 0 1 1 0 0 1 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 1 1 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 1 1 4 5 10 15 9 3 7 6 6 8 3 9 7 56 55 75 58 25 7 5 2 4 1 1 1 1 1 0 1 1 1 0 1 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 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 56 54 m 4H \| 41 40 t 2H J 62 \| 24 23 ddp 2H J 12 48 73 \| 21 20 m 1H \| 21 20 s 4H \| 17 16 dq 3H J 13 51 \| 17 16 m 2H \| 14 12 m 10H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)Nc1ccc2c(c1)C(=O)/C(=C/c1cn(C)c3nccc(N4CC5CCC(C4)O5)c13)O2	ir: 2 2 1 2 1 3 4 8 7 3 11 3 1 2 2 2 3 3 2 5 30 10 47 18 8 13 8 3 3 3 4 0 4 3 3 1 4 6 14 9 12 56 29 23 6 9 3 9 2 3 30 9 4 5 8 7 2 2 2 1 5 2 4 2 2 4 7 11 7 9 7 3 2 5 12 2 7 4 2 4 5 18 3 2 3 3 6 9 7 4 4 9 10 4 8 7 6 4 1 1 2 1 2 11 13 22 11 13 2 4 13 4 3 3 2 4 6 2 4 4 6 10 3 11 9 12 9 13 8 5 4 3 2 3 1 3 3 3 16 7 3 2 1 3 3 5 4 50 9 25 21 100 74 16 7 52 4 7 4 5 22 0 2 22 6 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 1 1 2 2 1 3 2 3 2 3 6 6 4 10 12 9 40 59 7 6 8 3 2 1 4 2 2 1 2 2 1 2 2 2 5 3 9 7 9 16 38 22 11 8 3 3 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 84 84 s 1H \| 83 83 d 1H J 42 \| 81 81 d 1H J 21 \| 78 77 s 1H \| 75 75 dd 1H J 22 84 \| 75 74 d 1H J 84 \| 71 71 s 1H \| 69 68 d 1H J 42 \| 61 60 q 1H J 47 \| 42 41 dqd 2H J 13 22 36 \| 39 39 s 3H \| 38 37 dd 2H J 22 119 \| 33 33 dd 2H J 22 119 \| 27 27 d 3H J 46 \| 21 20 m 2H \| 18 17 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)C(NCCSC12CC3CC(CC(C3)C1)C2)C(=O)O	ir: 0 1 1 1 1 1 0 0 1 0 0 2 8 5 1 1 1 1 2 3 25 13 15 9 1 1 1 1 1 1 0 1 2 1 3 1 1 1 2 2 1 1 1 1 1 1 1 3 1 0 3 8 6 5 1 0 0 1 2 0 2 2 2 4 2 3 2 1 1 1 1 2 3 2 1 2 4 7 13 54 5 1 1 1 1 2 2 1 1 0 0 0 1 1 1 1 1 0 0 1 1 1 1 2 2 2 2 1 6 6 7 4 2 2 1 1 1 1 3 2 2 3 1 2 1 1 1 1 1 4 1 5 0 6 4 2 0 1 0 0 0 0 1 1 1 2 3 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 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 1 1 1 2 1 1 3 3 7 5 1 0 1 1 0 0 1 1 1 0 12 100 36 8 1 1 1 1 1 1 8 31 6 1 1 2 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 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; 1HNMR: 39 39 dt 1H J 24 82 \| 34 34 ddq 1H J 15 30 84 \| 30 29 m 1H \| 28 28 m 3H \| 21 20 pt 3H J 42 54 \| 19 18 d 6H J 42 \| 18 17 dt 3H J 55 128 \| 16 15 dt 3H J 54 130 \| 10 10 d 9H J 14	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1oc(=O)nc1/C(=N\OCc1csc(N)n1)c1ccccc1	ir: 26 11 16 17 5 15 15 12 33 20 22 13 8 33 16 21 7 22 22 14 8 13 12 9 9 9 20 12 6 37 39 15 7 18 28 15 17 16 20 18 69 52 14 11 21 20 10 3 6 10 15 4 12 21 19 33 9 10 6 2 7 9 4 14 10 11 13 14 26 15 7 4 5 4 6 7 19 17 14 10 7 5 5 10 18 8 6 8 15 15 19 26 11 7 5 3 5 6 6 4 5 5 6 7 10 42 27 56 28 11 7 23 12 5 4 6 4 4 3 11 12 15 7 17 8 6 3 6 10 13 6 8 6 11 21 12 6 3 3 6 8 13 66 13 34 36 20 28 77 12 41 49 50 47 12 14 7 1 2 6 5 2 3 5 4 0 3 6 3 0 3 5 2 0 3 5 3 0 3 4 2 0 3 4 2 1 3 3 2 1 3 4 2 1 3 3 2 1 3 3 1 2 4 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 3 2 1 2 4 2 1 2 4 2 1 2 3 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 4 3 1 2 4 4 3 4 6 5 8 6 7 3 2 4 7 8 16 31 41 100 96 51 35 8 6 7 4 3 4 4 4 4 3 4 4 10 9 9 18 70 4 11 10 7 3 6 7 5 5 16 59 48 10 7 5 5 4 5 4 3 3 4 5 4 5 7 5 2 3 3 3 2 3 3 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 78 78 m 2H \| 75 75 m 2H \| 75 74 m 1H \| 66 66 d 1H J 9 \| 62 62 s 2H \| 49 49 d 2H J 10 \| 33 32 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1n[nH]c2ccccc12)c1ccoc1	ir: 4 1 1 2 0 1 1 1 0 1 2 10 7 1 2 3 1 1 4 1 1 1 2 1 0 1 1 1 1 7 5 1 1 3 2 1 6 4 3 1 6 100 66 11 4 0 3 42 47 7 2 1 1 2 18 1 2 1 1 1 1 5 18 2 1 0 1 11 4 2 1 2 4 2 2 1 1 1 1 0 1 2 2 12 2 1 1 3 1 1 1 1 1 1 1 4 8 2 24 2 23 1 1 0 1 1 1 1 25 4 1 1 1 3 3 1 1 1 1 3 1 2 0 3 0 1 1 1 1 1 1 1 0 3 21 3 2 1 2 87 1 22 12 1 1 3 7 30 20 24 2 37 83 8 21 3 10 1 3 9 19 3 16 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 1 1 1 2 1 1 1 2 4 11 41 21 13 4 10 2 1 1 1 2 1 1 1 1 0 1 3 2 2 3 9 20 11 17 25 17 16 29 3 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 89 89 s 1H \| 81 81 dd 1H J 9 17 \| 80 80 dd 1H J 14 85 \| 76 75 m 2H \| 75 74 ddd 1H J 12 71 87 \| 73 73 ddd 1H J 14 72 88 \| 70 70 t 1H J 12	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCC(NC(=O)c1ccc(OC)cc1)C(C)=O	ir: 2 1 1 1 1 1 1 2 1 2 2 2 1 2 2 2 1 1 3 5 4 4 6 3 4 3 2 1 2 4 6 10 3 1 1 1 2 5 5 19 24 90 32 12 6 0 1 3 2 0 1 2 1 1 1 2 6 3 2 4 4 6 5 6 2 4 2 2 1 7 4 4 5 4 3 2 2 1 2 2 1 1 1 1 1 1 1 2 4 3 3 2 1 1 1 1 1 1 1 1 0 1 1 3 3 6 7 3 2 2 1 2 2 2 3 2 2 3 4 2 4 3 3 4 3 4 13 5 2 2 2 1 1 1 3 2 3 7 8 4 18 11 12 100 12 11 14 2 2 4 4 20 8 2 2 1 1 1 1 1 1 1 1 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 2 1 1 1 1 1 1 1 1 1 2 4 1 3 10 6 4 14 22 6 2 6 4 2 3 2 1 1 1 1 1 2 1 2 1 1 1 2 3 2 3 10 10 20 10 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 78 77 m 2H \| 75 75 d 1H J 97 \| 70 69 m 2H \| 58 57 ddtd 1H J 18 82 110 165 \| 52 51 ddt 1H J 13 24 165 \| 51 50 m 1H \| 44 43 ddddd 1H J 15 31 67 84 99 \| 38 38 s 2H \| 26 25 dddt 1H J 15 69 82 151 \| 25 23 dddt 1H J 14 69 83 149 \| 22 21 d 3H J 14	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(Cl)ccc(N)c1C(=O)c1ccccc1	ir: 3 5 5 5 4 5 8 11 9 8 9 41 14 11 7 6 10 7 7 3 4 4 5 5 7 2 5 4 9 2 7 22 6 4 3 45 9 7 2 3 3 7 17 1 5 3 2 6 4 1 1 2 4 10 27 7 3 3 7 5 2 2 3 2 2 4 6 2 3 8 2 2 2 2 4 4 4 3 4 3 2 2 5 15 4 1 2 13 2 1 2 2 1 1 1 1 1 1 1 2 6 2 1 1 1 1 1 1 1 1 1 1 15 2 2 3 3 2 3 1 2 2 4 9 1 2 4 3 2 5 2 1 1 2 5 2 1 1 2 25 15 5 10 4 5 9 5 2 5 1 1 3 13 14 100 80 7 2 2 3 52 49 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4 5 4 5 12 28 24 9 5 2 1 1 1 1 1 1 1 2 1 1 1 1 2 29 14 1 1 1 1 2 2 3 2 2 14 57 48 15 2 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 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; 1HNMR: 77 77 m 2H \| 76 75 m 1H \| 75 75 m 2H \| 74 73 d 1H J 71 \| 70 70 s 2H \| 68 67 d 1H J 73 \| 39 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1cnc2[nH]c(-c3ccc(CN4CCOCC4)cc3)nc2c1I	ir: 1 2 1 1 1 1 2 2 2 3 3 1 2 4 4 3 5 1 1 1 1 7 5 1 5 21 63 16 65 28 6 4 6 1 5 2 0 2 1 0 1 2 5 25 4 4 8 2 2 11 2 1 3 5 21 21 6 3 3 2 1 0 1 2 2 3 7 2 1 3 3 1 3 37 2 2 1 1 2 1 12 1 1 1 9 1 2 3 2 1 2 20 19 6 6 3 3 29 5 16 9 2 1 1 1 0 1 1 1 1 1 1 3 2 1 3 1 1 2 3 2 2 1 2 2 1 1 2 0 2 4 40 4 2 1 1 1 1 8 3 2 2 5 22 59 3 1 23 2 2 2 3 2 3 3 16 29 20 1 0 1 1 1 1 2 0 1 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 0 0 1 0 0 0 1 0 0 1 1 1 1 1 3 1 1 1 1 1 1 1 2 12 12 9 17 26 4 2 0 1 1 1 1 1 1 1 1 0 0 0 1 1 0 1 4 1 5 5 4 7 100 18 2 13 6 1 1 2 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 d 1H J 141 \| 81 81 m 2H \| 74 74 dq 2H J 9 90 \| 37 37 m 4H \| 36 36 t 2H J 9 \| 25 25 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-n2ccc(CO)n2)cc1	ir: 3 4 3 4 4 4 4 4 4 6 6 6 4 4 4 4 4 4 5 4 4 4 3 4 4 3 3 4 4 5 6 4 3 3 3 4 5 3 3 4 4 3 4 4 4 9 8 26 10 9 5 7 5 5 17 4 10 6 6 3 3 4 5 6 4 3 3 3 3 7 5 3 3 3 3 3 4 4 4 4 3 5 5 5 7 7 27 26 29 21 11 10 6 7 4 4 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 4 3 4 4 4 5 7 7 7 6 3 4 4 4 4 4 4 3 4 5 20 11 3 4 5 6 30 17 4 5 6 5 5 8 7 11 9 5 4 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 5 5 3 4 4 4 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 5 4 6 8 11 12 21 19 6 2 9 19 11 100 68 0 7 10 4 2 5 5 3 2 4 4 2 2 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 4 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 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 79 78 d 1H J 29 \| 76 75 m 2H \| 70 69 m 2H \| 67 66 dt 1H J 9 31 \| 47 46 dd 2H J 8 52 \| 38 38 s 2H \| 29 28 t 1H J 51	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2cc(CCO)nc(Cc3ccccc3)n2)cc1	ir: 2 2 2 3 3 4 6 4 7 4 5 5 3 2 2 2 4 2 2 2 1 3 1 4 4 4 2 2 1 2 6 15 13 4 3 1 4 23 26 7 16 6 6 2 3 5 4 3 2 1 2 2 5 26 10 4 4 2 1 1 2 2 4 6 7 11 8 15 6 12 2 1 1 2 1 1 3 7 3 1 1 1 1 1 2 4 4 14 15 14 10 6 4 9 5 1 2 7 3 2 2 3 1 1 1 3 1 0 1 0 0 1 2 1 1 1 1 2 3 2 2 5 4 3 2 2 0 2 2 2 2 4 3 2 3 11 3 1 0 2 2 2 28 100 19 11 10 13 52 6 10 4 4 2 3 4 9 10 11 1 0 1 3 8 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 1 2 2 2 3 2 2 1 2 1 3 5 12 14 47 75 21 19 11 2 3 7 3 7 4 2 2 1 1 0 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 t 1H J 8 \| 75 75 m 2H \| 73 73 m 0H \| 73 73 s 1H \| 73 72 m 3H \| 72 71 m 3H \| 41 41 d 2H J 8 \| 39 38 dt 2H J 55 63 \| 38 37 dd 1H J 60 67 \| 29 28 td 2H J 8 55 \| 24 23 d 3H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)CCN1C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)=C(O)[C@H]2CCC[C@H]21	ir: 11 8 4 15 28 13 6 9 16 25 12 16 9 12 5 5 6 7 8 9 16 3 21 6 7 11 9 11 12 5 3 10 7 3 7 12 10 25 16 8 9 12 6 8 38 40 6 8 23 27 4 9 13 7 24 57 32 5 33 10 45 26 27 25 17 28 62 51 30 47 31 12 5 7 7 55 15 5 4 9 2 2 6 10 13 14 14 42 35 11 12 4 4 4 4 4 4 8 16 8 13 9 62 22 25 18 29 20 14 11 9 17 16 12 11 6 16 20 17 17 18 20 23 7 21 12 7 18 17 16 9 15 7 5 4 2 3 4 6 5 8 9 8 73 21 10 12 3 2 3 2 2 5 9 16 10 5 5 4 98 4 7 3 9 3 4 2 0 2 3 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 0 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 2 0 1 2 1 0 1 3 1 0 1 3 1 0 1 3 1 0 2 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 3 1 2 5 3 4 4 5 3 4 7 9 3 4 9 8 16 6 20 16 20 23 24 22 48 13 16 11 8 7 8 6 5 3 3 6 2 2 3 3 3 2 3 4 6 6 8 6 23 26 100 38 13 2 6 5 1 1 3 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 79 78 m 2H \| 75 75 s 1H \| 72 72 dd 1H J 21 80 \| 39 38 dddd 1H J 17 35 51 58 \| 36 35 m 2H \| 30 29 m 1H \| 29 29 s 4H \| 20 18 m 2H \| 18 15 m 7H \| 8 8 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)COc1cccc2c1ccn2CCNC(c1ccccc1)c1ccccc1	ir: 2 1 2 2 2 2 3 4 7 2 3 2 2 1 0 1 1 2 1 1 3 2 2 2 3 2 4 4 4 2 3 15 26 8 4 2 4 6 29 16 17 18 32 24 4 3 4 32 9 3 2 2 3 1 2 1 6 3 2 1 1 1 2 6 6 32 5 8 9 10 5 3 1 1 2 3 2 3 3 2 6 2 1 0 1 1 1 2 2 2 8 6 1 3 1 1 1 3 4 5 5 11 2 2 2 2 0 1 1 1 8 20 11 9 5 4 6 8 5 10 16 8 7 2 3 2 4 7 6 3 3 2 5 10 7 26 21 5 4 2 5 18 19 11 10 17 4 2 3 3 2 1 6 11 2 2 1 6 7 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 3 3 1 1 2 1 0 2 6 11 12 21 100 22 48 6 3 6 9 1 1 4 3 1 0 1 1 1 2 2 5 22 35 6 3 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 dd 1H J 16 67 \| 73 72 m 6H \| 72 72 m 4H \| 72 71 m 2H \| 69 68 m 2H \| 49 49 m 1H \| 47 47 s 2H \| 42 41 td 2H J 8 30 \| 38 37 s 2H \| 29 28 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)NCc1cc(C#N)ccc1C	ir: 8 5 3 6 5 7 5 3 1 2 1 2 5 2 1 1 1 1 1 2 3 2 1 3 6 13 52 33 15 25 6 4 5 4 3 4 15 6 1 3 2 1 1 1 1 0 0 1 1 1 1 1 1 1 7 4 2 1 1 1 3 1 13 10 3 1 4 8 8 9 2 2 2 4 1 2 0 0 1 1 0 0 1 2 1 1 2 3 2 1 2 1 2 7 6 4 5 3 2 2 1 2 1 1 0 1 1 1 0 1 2 1 4 3 3 2 1 4 6 4 5 3 3 4 2 8 9 4 4 5 5 1 1 1 1 0 0 1 1 1 1 12 15 14 12 26 10 9 10 100 6 5 2 2 2 1 1 1 1 2 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 4 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 3 1 1 1 2 1 1 2 6 9 8 6 19 20 1 1 1 1 1 1 4 1 1 1 1 1 0 1 1 1 1 2 2 4 13 9 31 23 9 4 3 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 75 74 m 2H \| 72 72 dq 1H J 10 81 \| 63 63 t 1H J 59 \| 45 45 dd 2H J 9 59 \| 37 37 s 3H \| 24 23 d 3H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCc1ccccc1-c1ccc(OCc2cccc(C(=O)O)c2)cc1	ir: 2 2 2 3 3 3 3 3 2 2 3 3 3 2 5 9 17 4 3 3 9 34 62 10 5 3 3 2 4 3 6 7 7 2 2 2 2 2 2 2 2 3 6 3 3 4 7 28 4 3 1 1 3 4 9 6 11 12 4 4 2 2 2 2 3 4 15 12 5 6 2 5 6 3 4 2 7 23 21 4 2 2 5 4 2 2 2 6 5 9 10 11 12 4 4 2 1 1 3 2 2 1 2 2 1 2 2 2 1 1 2 1 1 2 8 16 12 3 2 3 4 3 4 3 6 4 3 3 4 3 3 2 1 2 2 2 9 8 12 12 9 6 3 5 6 12 52 36 9 6 2 4 5 4 2 2 2 2 3 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 2 4 3 3 6 10 36 100 32 14 7 5 2 0 2 7 47 87 19 1 2 2 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 80 79 td 1H J 10 21 \| 79 79 ddd 1H J 11 20 80 \| 75 75 dd 1H J 13 77 \| 75 73 m 5H \| 73 73 m 2H \| 70 70 m 2H \| 51 51 t 2H J 9 \| 47 47 d 2H J 10 \| 35 34 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1c2c(c(OCC(F)(F)F)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1F)C2=O	ir: 2 4 2 1 2 3 3 3 8 3 5 7 2 5 3 4 6 3 8 11 22 39 43 23 9 4 2 1 4 8 2 1 1 2 2 2 2 8 2 6 3 4 5 7 43 17 9 3 4 2 7 1 4 3 3 3 8 3 2 2 3 2 7 1 2 2 4 6 6 5 2 6 3 2 2 9 9 8 13 18 12 5 2 2 4 4 5 7 6 7 5 8 5 2 3 19 9 4 2 2 4 11 6 7 7 12 4 2 2 2 2 7 3 4 3 6 4 3 4 5 11 4 2 8 3 9 5 6 13 8 10 4 1 2 1 1 3 8 3 1 2 4 10 41 21 81 5 4 13 25 7 3 3 12 24 14 3 0 1 3 2 0 1 2 1 0 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 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 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 3 2 1 1 2 2 2 4 2 2 2 2 2 3 3 11 21 32 56 16 6 3 3 2 3 3 9 39 100 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 82 dd 2H J 33 57 \| 76 75 dd 1H J 48 77 \| 75 75 dd 2H J 32 56 \| 74 73 ddt 1H J 9 17 122 \| 73 73 ddt 1H J 10 17 77 \| 49 48 d 1H J 130 \| 48 47 d 1H J 130 \| 42 41 q 2H J 62 \| 35 35 t 2H J 9 \| 15 14 t 3H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCS(=O)(=O)CC[C@H]1CN(c2cccc(Cl)c2)C(=O)CN1	ir: 1 1 4 12 5 2 3 4 3 4 2 2 1 1 2 1 1 1 7 2 3 1 1 1 1 2 4 1 2 2 1 7 2 5 5 4 2 3 3 2 2 5 3 2 5 4 10 10 4 1 2 3 26 10 2 2 2 4 6 6 14 1 11 4 4 15 4 11 28 2 4 7 5 20 3 2 2 6 1 1 1 1 4 8 3 49 8 6 6 6 5 2 1 3 3 4 2 1 2 2 1 5 10 5 8 15 8 25 3 4 3 9 9 9 8 17 4 13 10 10 5 10 9 10 18 6 8 5 13 11 3 4 4 2 2 1 1 1 2 3 13 2 1 1 2 2 2 2 3 10 32 5 4 1 12 1 2 1 1 0 8 1 1 0 1 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 0 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 3 5 12 3 5 2 2 3 4 3 9 26 6 5 35 15 6 2 1 1 1 1 1 1 1 1 1 0 1 1 2 3 1 22 100 3 3 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0; 1HNMR: 73 72 m 3H \| 72 72 m 1H \| 41 40 dd 1H J 15 122 \| 38 38 dd 1H J 44 121 \| 37 36 dd 1H J 41 155 \| 36 35 dd 1H J 40 156 \| 33 32 qdd 1H J 15 42 69 \| 32 31 dt 1H J 101 152 \| 31 29 m 3H \| 25 25 dt 1H J 41 68 \| 20 19 dtd 1H J 70 101 143 \| 18 17 dtd 1H J 71 101 143 \| 14 13 t 3H J 91	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(F)c(C(C)(C)O)c(Br)c1	ir: 4 7 7 5 4 6 10 5 3 3 3 4 4 3 3 5 5 15 4 2 2 3 2 4 3 3 3 2 2 4 3 2 2 3 3 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 3 3 6 4 13 3 4 6 3 3 5 7 5 7 6 3 21 21 8 5 5 4 12 10 13 10 6 13 4 5 8 50 11 20 15 7 8 4 5 5 3 6 11 19 11 5 7 18 23 8 4 4 3 9 3 5 4 5 69 16 14 6 4 3 3 2 3 4 2 4 4 3 3 6 8 5 8 5 4 9 7 6 4 4 2 3 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 8 4 2 2 2 3 6 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 3 2 3 3 3 2 3 4 6 4 4 3 3 3 3 6 5 2 4 4 6 17 10 4 18 17 7 7 3 0 9 11 1 100 3 0 4 4 2 1 3 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 72 72 d 1H J 20 \| 68 67 dd 1H J 23 120 \| 46 46 s 1H \| 24 23 s 3H \| 17 16 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(Cc2cccc(C(=O)/C=C/c3cccc(/C=C/C(=O)OC(C)(C)C)n3)c2)CC1	ir: 7 5 9 6 10 3 4 3 5 4 5 7 5 3 1 2 4 4 4 3 2 3 4 5 8 2 2 9 2 1 2 1 3 6 5 5 9 7 11 4 11 5 3 2 5 57 86 16 18 7 6 9 2 1 1 2 3 1 2 6 4 5 3 4 15 9 4 4 4 9 1 3 1 1 3 4 7 6 22 25 81 31 38 29 6 5 3 3 1 1 2 5 8 1 1 1 5 6 5 8 16 4 6 4 2 1 2 1 1 1 1 2 2 4 23 5 3 8 4 4 3 6 4 4 3 27 17 9 8 17 11 13 7 5 10 7 7 27 42 4 4 10 8 33 28 24 26 5 3 1 0 2 2 6 25 15 3 2 1 0 1 2 1 1 1 1 1 0 0 1 1 0 1 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 1 1 1 1 0 1 2 2 0 1 3 3 2 1 2 3 4 4 18 39 43 25 100 46 4 5 2 2 1 1 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 m 2H \| 78 77 d 1H J 157 \| 76 76 m 1H \| 76 73 m 7H \| 69 68 d 1H J 152 \| 36 36 d 2H J 9 \| 27 27 m 5H \| 25 24 m 4H \| 24 23 s 3H \| 15 15 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)NCCCc1ccccc1Br	ir: 0 4 9 4 2 19 11 6 3 12 14 4 3 6 8 3 1 6 7 6 3 9 21 5 3 12 11 38 22 39 30 24 22 13 9 7 8 9 7 5 24 47 93 6 5 9 7 8 11 9 6 5 6 9 6 2 5 8 5 2 5 8 5 2 6 10 8 9 38 24 16 5 10 16 10 7 7 7 4 2 6 7 3 3 12 8 2 3 8 14 8 3 8 7 3 5 8 7 3 5 8 5 2 4 8 6 1 7 13 25 8 8 11 6 4 8 10 10 7 6 9 8 3 10 13 5 2 10 13 5 6 16 13 4 2 10 26 12 4 15 40 42 21 25 40 56 65 100 38 11 7 8 6 3 5 6 5 5 8 7 5 2 4 7 5 2 4 7 5 2 4 7 4 1 5 7 4 2 5 7 4 2 5 7 4 2 5 6 3 2 5 6 3 2 5 6 3 3 6 6 3 3 6 5 2 3 6 5 2 3 6 5 2 3 6 5 2 3 7 5 2 4 7 4 1 4 7 4 1 4 7 4 2 4 7 4 2 5 7 4 2 5 6 4 2 5 6 3 3 5 6 3 3 5 6 3 3 5 5 3 3 6 5 3 4 6 5 3 4 8 6 3 4 10 8 6 7 10 9 6 10 12 7 23 13 12 30 31 43 17 8 3 7 9 5 2 5 7 5 3 6 6 4 3 9 7 8 21 34 29 25 49 39 18 14 9 12 6 2 4 7 6 2 3 6 5 2 3 6 5 2 4 7 5 2 4 7 5 2 4 7 4 1 4 7 4 2 4 6 4 2 4 6 4 2 5 6 3 2 5 6 3 2 5 6 3 3 5 5 3 3 5 5 3 3 5 5 3 3 6 5 3 3 6 5 3 4 6 5 2 4 6 4 2 4 6 4 2 4 6; 1HNMR: 74 74 dd 1H J 13 79 \| 73 72 m 2H \| 71 71 ddd 1H J 20 72 79 \| 64 63 t 1H J 52 \| 32 32 q 2H J 55 \| 28 27 td 2H J 8 77 \| 20 20 s 2H \| 19 18 tt 2H J 56 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)/C=C/c1sccc1C=O	ir: 12 2 2 2 2 1 2 1 2 2 5 9 3 2 4 1 1 1 1 1 1 1 1 1 1 1 1 2 2 6 12 3 3 1 1 1 1 2 1 1 2 4 3 3 11 12 1 1 1 1 1 3 1 3 3 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 3 4 3 4 9 1 2 2 2 3 21 57 17 5 1 1 1 1 10 1 0 1 1 1 1 3 7 2 1 1 2 2 0 2 6 3 2 2 2 1 0 2 4 3 26 4 0 1 3 3 2 2 2 1 1 1 3 7 6 5 9 28 11 5 1 2 2 1 1 3 4 1 0 2 2 7 7 5 7 100 15 1 2 3 2 0 1 2 3 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 9 1 1 1 1 1 1 1 1 2 2 3 5 11 31 12 9 5 10 14 15 7 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 d 1H J 147 \| 76 75 m 3H \| 63 62 d 1H J 146 \| 15 15 s 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc2ccc(OC)c(OC)c2oc1=O	ir: 3 5 8 10 5 5 7 5 2 15 19 8 7 14 8 4 3 4 7 4 3 6 5 4 4 7 6 4 8 43 50 9 8 10 5 4 3 4 4 4 5 12 7 8 5 6 4 3 4 5 5 5 11 7 3 4 100 19 5 3 8 7 13 3 4 5 5 2 4 6 4 5 6 6 8 5 7 8 11 8 7 6 4 29 7 5 3 2 4 6 2 3 4 4 3 3 4 4 4 5 6 43 4 4 6 5 3 5 5 4 2 3 5 5 4 8 7 19 3 9 7 4 2 4 5 5 3 7 4 8 5 8 50 6 0 5 6 3 2 5 6 7 10 35 5 2 4 23 8 38 4 8 58 5 4 6 5 5 66 10 5 2 3 7 4 9 3 4 3 2 3 4 3 2 3 5 3 2 3 4 3 2 4 4 3 2 4 4 3 2 4 4 3 2 4 4 3 2 4 4 3 2 4 4 2 3 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 5 3 2 3 5 3 2 3 4 3 2 3 4 3 2 3 4 3 2 4 4 3 2 4 4 3 2 4 4 3 2 4 4 2 3 4 4 2 3 4 4 3 3 5 5 3 3 4 4 3 3 5 4 3 4 5 4 19 8 19 12 16 44 13 4 4 4 5 4 2 4 4 3 2 3 4 3 3 4 4 3 2 4 4 3 2 4 4 3 3 4 4 2 3 4 4 2 3 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4; 1HNMR: 85 85 s 1H \| 74 73 d 1H J 90 \| 69 69 d 1H J 92 \| 43 42 q 2H J 71 \| 40 39 s 3H \| 39 38 s 3H \| 13 12 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)C(C)Oc1cc(OCC#CC)ncn1	ir: 2 2 2 2 1 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 3 6 15 10 4 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 3 2 2 2 2 2 2 3 5 7 8 3 2 6 3 3 5 4 3 5 4 3 3 2 3 4 2 2 2 2 2 2 2 7 2 2 1 2 2 2 2 1 2 2 1 1 2 2 1 2 2 5 13 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 3 2 1 2 2 2 2 7 42 3 2 2 2 1 1 2 2 1 2 3 2 0 2 9 100 13 3 0 1 3 2 1 1 2 2 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 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 4 2 3 5 8 2 2 2 3 2 2 2 2 2 2 1 1 1 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 83 d 1H J 15 \| 62 61 d 1H J 15 \| 51 51 tq 1H J 8 17 \| 50 50 m 0H \| 50 50 s 1H \| 50 49 m 1H \| 49 49 q 2H J 26 \| 19 18 t 3H J 25 \| 18 17 q 3H J 13 \| 13 12 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCOC(=O)N1CC(C(C)O)C[C@H]1CO	ir: 4 7 8 12 5 8 12 4 4 6 17 8 3 5 8 5 5 11 14 18 10 12 15 15 10 21 27 17 5 10 15 8 2 6 6 1 2 6 5 3 3 6 5 1 2 6 5 0 3 7 5 0 3 8 4 1 6 8 5 4 4 10 5 6 8 7 9 4 7 9 8 8 8 8 9 4 5 9 3 3 6 10 4 7 14 11 12 22 46 100 26 17 18 13 9 11 23 47 31 12 9 8 3 4 7 5 1 5 9 11 40 14 8 6 5 13 9 9 6 7 11 5 4 6 5 3 2 4 7 4 6 12 16 5 5 16 12 7 11 7 7 2 2 5 5 2 2 5 4 3 38 42 4 1 2 5 4 1 2 5 3 1 2 5 3 0 2 5 3 0 3 5 3 0 3 5 2 0 3 5 2 0 3 5 2 1 3 5 2 1 3 4 2 1 4 4 1 1 4 4 1 1 4 4 1 2 4 4 1 2 4 3 1 2 5 3 1 2 5 3 1 3 5 3 0 3 5 3 0 3 5 3 1 3 5 3 1 3 5 2 1 3 5 2 1 3 4 2 1 4 4 2 1 4 4 2 2 4 4 1 2 4 4 1 2 4 4 1 2 5 4 2 3 6 5 2 4 7 7 3 6 9 6 19 12 10 7 6 7 10 20 95 18 15 12 4 6 5 3 1 4 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4; 1HNMR: 60 59 m 1H \| 53 53 ddt 1H J 13 25 170 \| 53 52 m 1H \| 47 46 dt 2H J 13 60 \| 40 39 dqd 1H J 18 51 71 \| 38 37 m 3H \| 36 35 ddd 1H J 48 56 108 \| 35 34 m 2H \| 31 31 d 1H J 48 \| 22 21 dtt 1H J 16 46 77 \| 20 19 m 1H \| 17 16 m 1H \| 12 11 dd 3H J 15 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(C)c3n(c2c1)CCCC3N	ir: 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 0 1 1 2 2 2 2 2 1 1 1 1 1 2 0 1 2 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 4 23 17 3 6 15 4 3 4 12 17 5 10 23 20 23 10 3 18 8 5 15 19 100 13 3 4 4 3 7 1 1 2 3 1 2 2 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 3 4 3 4 2 2 2 1 6 4 3 2 0 2 5 1 2 6 5 4 3 4 16 19 14 19 19 30 6 25 4 6 3 2 5 19 4 1 0 1 1 0 3 2 2 0 0 1 10 4 5 2 0 1 0 0 1 1 1 5 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 1 0 0 0 0 0 0 1 1 1 0 1 1 1 1 2 3 2 4 1 1 2 2 2 3 3 10 2 8 11 15 7 2 2 1 1 1 1 2 2 2 8 13 9 10 10 13 13 12 19 5 18 85 4 2 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 1 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 m 1H \| 68 68 m 2H \| 45 44 tt 1H J 39 51 \| 40 39 m 2H \| 38 38 s 2H \| 24 23 d 5H J 53 \| 21 20 m 2H \| 19 18 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(-c2n[nH]c3ccc(NCc4ccncc4)cc23)cc1	ir: 8 20 6 4 5 6 15 53 95 44 27 12 11 16 8 5 19 10 5 7 7 5 6 12 4 9 9 4 4 5 14 11 7 8 8 6 25 19 4 3 5 3 2 9 3 4 3 3 2 3 4 15 20 24 49 74 30 15 4 2 4 5 4 16 4 5 2 3 26 21 15 14 5 10 7 3 5 4 2 2 3 4 3 2 3 4 10 3 22 6 6 3 6 5 4 3 5 7 7 3 4 6 20 3 6 21 8 8 4 83 0 34 4 4 2 3 5 8 10 5 8 4 11 10 4 6 13 11 25 6 3 3 3 2 5 4 9 3 2 2 4 24 43 5 5 11 34 55 8 21 27 6 10 3 6 19 100 5 3 10 6 1 4 4 3 2 2 3 3 1 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 3 3 2 2 3 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 3 2 1 2 2 2 1 2 3 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 3 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 3 3 6 10 9 15 61 47 19 20 4 4 5 3 4 4 6 4 3 2 3 3 3 3 4 4 5 11 7 5 22 46 23 35 24 8 3 4 2 3 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 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 1 2 2 2 1 2 2; 1HNMR: 85 84 m 2H \| 77 77 m 2H \| 75 74 d 1H J 78 \| 73 72 dt 2H J 9 46 \| 72 71 m 3H \| 68 67 dd 1H J 22 77 \| 56 55 t 1H J 53 \| 47 46 dt 2H J 9 54	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC(=O)Oc1ccc(C#N)cc1	ir: 0 7 5 6 1 5 8 4 1 5 5 5 4 4 4 2 1 3 3 2 1 3 4 5 7 10 7 2 2 4 5 5 24 12 8 19 7 18 15 20 5 8 4 1 3 6 4 2 2 6 4 2 6 8 10 4 82 82 23 11 4 5 3 1 2 5 3 2 3 22 3 1 3 4 2 1 3 4 1 1 3 3 1 2 3 5 2 4 9 10 2 2 5 7 6 16 10 5 5 5 6 3 1 3 5 4 6 8 13 7 6 11 8 8 7 4 8 5 12 13 9 11 11 6 13 19 8 9 20 8 4 3 4 3 4 5 4 4 3 5 5 8 12 46 100 35 99 31 17 11 9 4 29 11 4 7 4 0 2 4 9 1 2 4 3 0 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 4 4 2 1 3 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 4 2 1 2 4 2 0 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 2 2 3 3 2 2 5 5 3 5 4 10 2 7 5 6 6 5 9 10 20 16 36 56 24 74 14 13 9 9 6 3 2 5 4 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 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 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 78 78 m 2H \| 73 72 m 2H \| 26 25 t 2H J 87 \| 19 18 tt 2H J 68 87 \| 15 14 m 2H \| 9 9 t 3H J 74	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCCNC(=O)CN1CCCC1=O	ir: 16 8 9 15 11 10 6 8 8 6 3 13 21 25 34 20 21 20 40 45 16 17 16 19 11 11 8 9 7 8 10 12 16 9 17 20 13 22 27 24 23 16 22 14 18 10 5 12 7 4 11 17 27 8 9 15 17 8 13 9 4 1 7 9 14 12 6 18 7 6 5 10 6 3 6 9 6 4 9 7 6 7 11 20 24 36 35 17 10 8 8 10 16 19 38 16 10 9 13 19 13 14 8 7 2 5 8 7 3 10 14 14 3 9 17 22 12 10 13 47 52 23 35 23 15 17 15 10 13 35 35 31 7 7 11 3 3 8 7 3 2 13 22 11 18 66 100 78 77 56 42 11 6 7 5 2 4 6 5 1 3 6 4 1 3 6 3 1 3 6 3 0 3 6 3 0 3 6 3 1 3 5 2 1 4 5 2 1 4 5 2 1 4 5 2 1 4 4 2 1 4 4 1 2 5 4 1 2 5 4 1 2 5 4 1 2 5 3 1 3 5 3 1 3 6 3 0 3 6 3 0 3 6 3 1 3 5 3 1 4 5 2 1 4 5 2 1 4 5 2 2 4 4 2 2 4 5 2 2 4 4 2 2 5 4 2 2 5 4 2 4 6 9 5 12 11 9 4 9 11 6 3 8 33 47 16 12 8 4 4 4 6 3 1 4 6 3 1 4 5 3 2 5 5 3 4 8 14 8 29 45 45 50 19 23 12 7 6 6 5 3 3 5 4 2 2 5 4 2 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 2 1 3 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 1 2 4 3 1 2 4 3 1 3 5 3 1 3 5 3 1; 1HNMR: 70 70 t 1H J 52 \| 40 39 s 2H \| 36 35 dd 2H J 38 48 \| 32 31 q 2H J 53 \| 29 29 t 2H J 59 \| 25 24 m 2H \| 23 23 s 5H \| 20 19 m 2H \| 18 18 p 2H J 56	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(C(=O)O)c2ccccc2c(=O)n1-c1ccccc1	ir: 0 1 0 0 0 2 1 1 1 0 0 0 1 7 1 1 3 2 0 1 1 1 2 4 29 21 10 2 0 0 1 5 7 3 2 1 3 6 1 1 3 5 7 29 4 3 4 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 1 0 0 3 2 1 2 3 1 3 5 2 3 10 12 4 1 3 0 0 0 0 1 0 0 0 0 0 1 1 1 1 1 0 2 1 2 0 0 1 1 3 5 1 1 0 0 0 0 0 2 5 1 1 1 1 1 1 0 1 0 1 2 3 0 1 0 0 0 1 5 1 8 5 3 9 2 2 1 1 1 1 3 1 1 2 3 9 8 1 0 2 2 0 9 1 9 1 1 5 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 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 1 0 0 1 2 3 2 7 60 16 8 6 3 2 1 1 0 6 100 22 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; 1HNMR: 81 81 dd 1H J 16 82 \| 78 78 dd 1H J 17 81 \| 77 76 td 1H J 16 80 \| 76 76 td 1H J 16 79 \| 75 75 m 1H \| 74 74 dq 2H J 16 77 \| 74 73 m 2H \| 24 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(C2CC2)cc1O	ir: 1 4 2 1 1 2 1 2 9 3 1 1 1 3 1 2 1 2 2 3 14 3 31 27 13 3 4 1 4 4 3 1 3 2 2 1 3 5 20 8 4 1 1 1 1 1 1 1 1 1 1 1 1 0 1 17 10 1 2 5 4 1 1 1 1 0 1 4 8 9 1 0 1 1 1 2 2 5 1 2 3 2 24 12 4 1 2 2 2 4 4 1 10 11 4 1 2 3 3 3 9 8 1 1 1 2 3 11 1 11 2 1 1 1 1 1 1 1 2 3 8 1 1 1 1 40 4 1 2 1 0 1 1 1 1 1 1 4 4 1 1 1 1 2 1 1 1 1 2 5 8 4 15 6 35 4 1 0 1 8 3 1 1 31 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 2 3 19 8 11 3 13 35 100 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 93 92 s 1H \| 77 77 d 1H J 84 \| 70 70 m 1H \| 69 68 dd 1H J 7 20 \| 39 39 s 3H \| 26 25 m 1H \| 14 13 m 2H \| 11 10 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc2ccccc2c2c1ncn2CCCCO	ir: 3 5 4 3 4 3 5 10 4 2 8 8 6 7 5 4 3 5 4 4 2 2 3 3 7 3 3 5 5 5 5 3 9 5 5 8 7 8 11 14 22 9 100 8 4 12 13 4 7 5 10 9 3 5 5 4 3 3 5 6 5 4 3 4 4 3 3 4 4 3 3 4 3 2 4 11 7 5 3 2 3 2 3 4 8 4 4 10 20 29 13 5 3 4 9 5 3 3 3 2 1 2 2 3 3 2 2 2 2 3 13 4 1 3 5 5 5 7 2 5 3 4 4 3 6 6 6 4 2 3 2 5 10 8 5 4 6 13 15 13 10 11 14 26 40 27 11 7 9 6 7 13 4 3 2 4 3 1 2 2 2 10 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 2 2 2 3 2 2 3 4 4 3 3 29 10 6 4 4 2 3 5 9 4 3 2 4 2 3 4 4 1 16 66 8 8 5 4 5 2 1 4 4 6 32 44 6 4 3 0 1 2 3 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 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; 1HNMR: 82 82 dd 1H J 14 77 \| 79 79 dd 1H J 15 73 \| 79 78 t 1H J 9 \| 77 75 m 2H \| 64 64 s 2H \| 43 42 td 2H J 9 63 \| 36 35 m 2H \| 28 27 t 1H J 59 \| 19 18 tt 2H J 63 77 \| 17 16 tt 2H J 51 75	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C=C(C#N)C(=O)OC(C)(C)C	ir: 2 3 2 5 4 4 4 4 10 6 6 3 4 2 1 4 11 21 9 10 5 1 2 2 2 2 2 2 3 4 5 3 3 20 60 19 25 3 2 5 2 1 2 3 2 3 3 3 2 1 1 2 2 1 1 4 1 0 3 5 2 4 16 12 9 3 2 3 5 6 4 3 2 2 4 4 3 1 3 3 2 5 4 4 2 2 3 4 4 5 6 100 11 5 4 2 3 4 3 3 2 2 23 13 17 13 4 2 2 6 41 29 8 2 4 3 3 3 10 7 3 3 3 3 2 3 3 6 37 55 10 4 2 4 2 1 1 2 2 2 2 4 4 3 8 23 3 3 1 2 2 1 1 2 1 1 1 2 2 23 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 13 3 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 3 6 2 2 1 3 2 1 2 3 3 2 6 8 20 6 3 14 9 2 3 3 2 1 2 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 77 77 p 1H J 11 \| 28 28 d 7H J 11 \| 15 15 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	ir: 3 10 15 10 7 13 4 5 1 2 2 2 1 1 4 2 0 1 1 1 0 1 4 4 5 3 1 1 1 1 2 3 6 12 16 15 12 12 4 5 6 16 81 84 20 19 22 12 5 4 5 18 20 8 5 4 1 1 1 1 2 2 2 4 1 1 1 4 12 9 4 1 2 4 2 2 1 1 1 3 5 4 2 1 0 0 1 0 1 1 0 0 0 1 0 1 1 9 1 1 1 1 1 0 19 11 2 7 2 1 1 2 1 1 4 3 10 15 18 9 7 4 0 3 10 1 1 2 4 1 0 1 1 0 0 1 9 8 4 6 11 8 6 8 10 3 1 12 100 38 13 8 33 15 13 4 2 4 17 6 1 9 19 4 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 2 2 2 6 12 23 47 51 12 5 6 3 1 1 1 0 1 1 1 1 1 1 1 2 2 1 2 3 2 12 30 28 54 76 11 2 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 s 1H \| 86 85 dd 1H J 11 79 \| 81 80 dd 1H J 12 76 \| 80 80 m 1H \| 79 78 m 3H \| 76 76 t 1H J 78 \| 30 30 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(CCC)(Oc1ccc(Cl)cc1C=O)C(=O)OCC	ir: 13 8 4 3 6 8 16 12 8 11 10 11 11 43 16 6 10 7 5 4 4 6 8 16 4 3 20 7 3 7 12 3 4 11 6 8 4 6 6 12 6 9 12 14 5 3 3 2 4 3 5 10 10 23 20 60 22 35 65 14 4 7 15 10 4 10 4 8 8 2 2 4 8 6 4 9 5 3 7 15 18 17 12 21 6 6 7 7 17 6 4 3 9 6 9 7 3 4 12 6 15 15 13 20 13 16 2 11 7 9 13 31 49 19 32 17 19 75 43 24 41 10 18 13 10 5 3 10 3 8 4 3 3 4 4 9 19 10 7 8 1 9 57 31 17 100 24 25 21 42 4 4 9 5 6 4 4 11 2 3 3 12 10 5 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 3 2 1 5 6 10 8 4 4 5 14 7 2 9 9 8 10 15 27 47 14 22 54 73 27 14 5 8 4 1 2 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1; 1HNMR: 79 78 d 1H J 22 \| 74 74 dd 1H J 21 80 \| 71 71 d 1H J 80 \| 43 42 q 2H J 61 \| 23 22 dt 2H J 71 142 \| 20 19 dt 2H J 71 142 \| 17 15 dh 2H J 74 133 \| 15 14 dh 2H J 74 134 \| 13 12 t 3H J 60 \| 10 10 t 6H J 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(-c2cnc3c(N4CCOCC4)nc(Cl)nc3c2)o1	ir: 3 3 5 6 6 15 15 5 2 2 2 3 1 1 2 5 2 2 3 6 13 5 3 3 5 6 10 23 7 7 36 100 33 15 3 3 2 1 1 3 8 0 1 2 2 2 2 6 2 0 1 10 5 0 4 5 20 27 36 5 6 4 6 4 2 3 1 1 4 10 10 0 9 13 8 11 1 0 1 1 1 1 1 2 4 27 7 18 12 5 2 4 9 6 4 5 4 9 9 16 3 1 2 5 5 1 1 1 1 1 1 2 2 12 7 5 10 15 47 36 2 8 21 12 33 19 4 20 5 3 1 1 1 3 3 5 12 1 1 3 73 37 2 1 1 1 1 0 8 8 3 7 38 25 55 9 3 3 16 6 3 2 1 0 1 3 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 1 2 2 3 1 1 1 1 1 3 2 10 5 3 18 30 25 35 12 3 2 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 89 89 d 1H J 16 \| 84 84 d 1H J 16 \| 73 73 d 1H J 53 \| 70 70 d 1H J 55 \| 40 39 s 2H \| 39 36 m 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOCCOCCOCCOCCOCCOCCOS(C)(=O)=O	ir: 3 4 2 1 2 4 3 2 2 2 2 1 2 4 4 3 2 12 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 5 2 1 1 0 1 1 1 1 2 1 2 1 1 2 2 1 1 0 3 5 7 9 2 7 4 2 2 6 4 6 5 4 14 11 9 14 6 8 16 10 6 10 4 2 3 2 1 1 1 1 1 1 3 18 100 26 7 1 1 1 1 4 5 2 5 5 17 10 1 4 0 1 0 0 0 1 1 2 2 3 2 1 1 1 1 1 2 7 14 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 2 1 1 2 1 2 1 1 0 1 1 2 9 17 10 3 2 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 42 42 t 2H J 59 \| 38 37 t 2H J 58 \| 37 36 m 21H \| 37 36 dt 2H J 47 54 \| 36 35 m 2H \| 34 34 s 2H \| 30 30 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCCC12OC(C)CN1CC(C)O2	ir: 0 2 4 2 2 9 5 3 6 4 7 5 5 6 12 17 10 8 4 3 1 3 6 22 22 6 6 2 1 2 2 1 1 2 2 1 3 8 8 10 6 5 4 2 3 6 4 9 7 2 2 2 2 3 5 10 10 10 5 2 5 6 2 2 5 12 20 14 14 23 18 5 6 6 4 22 11 14 14 28 13 4 1 0 3 3 0 0 5 7 25 11 22 6 9 20 27 20 12 9 8 9 26 36 47 100 75 31 34 49 47 24 16 10 7 8 8 8 39 42 48 31 29 16 20 22 16 6 6 9 5 6 2 3 3 2 4 6 3 3 2 2 1 2 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 0 1 1 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 0 1 2 2 1 1 2 2 1 3 4 5 3 6 14 10 19 13 11 6 0 9 16 33 69 84 22 8 6 3 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 40 39 qt 2H J 37 51 \| 30 30 dd 2H J 38 118 \| 28 27 dd 2H J 37 117 \| 19 18 t 2H J 81 \| 15 14 m 2H \| 14 13 m 2H \| 13 12 m 20H \| 9 9 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCN1C(=O)C(=O)c2ccc(OC)cc21	ir: 0 16 30 14 4 50 78 25 12 37 43 18 5 20 26 13 6 23 26 17 8 21 25 18 15 22 21 8 9 22 21 7 9 25 31 20 35 26 22 28 27 29 23 13 12 25 17 3 14 29 16 2 17 34 46 28 23 29 18 4 16 36 38 8 25 41 53 93 100 30 19 11 21 30 15 11 21 22 11 7 19 20 9 8 19 20 9 11 28 22 9 14 33 27 11 34 27 21 6 16 26 51 31 16 24 27 27 65 33 17 10 17 43 35 7 31 40 31 9 29 33 22 9 30 36 15 9 21 42 26 6 18 23 11 7 22 22 10 8 20 26 24 5 21 20 7 8 32 33 4 17 72 54 7 69 34 20 7 12 23 17 1 72 32 17 4 13 24 16 3 14 25 14 4 15 24 14 4 16 23 12 5 16 22 11 6 17 22 10 6 18 20 10 7 18 21 9 8 19 19 9 9 19 18 8 9 20 18 7 10 21 17 6 11 22 16 6 12 22 15 5 13 23 15 4 13 24 14 4 14 24 13 5 15 23 12 5 16 22 12 6 16 21 12 7 17 21 11 7 17 20 10 8 18 19 9 9 19 19 8 10 19 18 7 11 20 17 8 12 24 18 9 15 27 19 14 16 23 15 6 16 30 22 37 34 31 37 56 57 44 15 10 16 21 13 7 15 21 12 7 16 20 11 8 17 19 11 9 17 19 10 9 18 18 9 10 18 17 9 10 19 17 8 11 19 16 8 11 20 16 7 12 20 15 6 13 21 14 6 13 22 14 6 14 22 13 6 14 21 13 7 15 20 12 7 15 20 12 8 16 19 11 9 17 18 11 9 17 18 10 10 18 17 10 10 18 17 9 11 19 16 9 11 19 16 8 12 20 15 8 13 20 15 7 13 20 14 7 14 21; 1HNMR: 83 83 d 1H J 79 \| 73 73 d 1H J 22 \| 72 72 dd 1H J 21 80 \| 43 42 t 2H J 61 \| 38 38 s 2H \| 18 18 p 2H J 62 \| 15 14 h 2H J 66 \| 10 9 t 3H J 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C2(F)COC2)ccc1-c1nc(C)nc2cc(SCc3ccccc3)ccc12	ir: 7 5 4 5 3 4 4 9 4 3 4 4 4 5 3 4 11 8 8 8 10 5 7 16 9 11 12 9 12 36 31 4 3 6 7 10 55 24 6 7 6 9 16 5 6 4 6 30 41 87 8 5 10 15 16 24 18 13 4 4 3 6 8 9 4 10 28 53 58 29 23 9 6 5 5 6 4 7 5 4 3 3 4 4 5 5 6 8 38 6 17 4 4 5 3 3 5 7 3 3 3 3 3 2 2 3 3 3 3 5 12 31 7 5 5 4 4 6 5 4 5 14 8 6 5 4 8 6 6 27 4 7 6 8 9 71 10 22 81 24 13 65 21 100 13 6 4 14 8 8 7 7 12 85 27 19 19 6 3 5 3 0 14 8 11 43 4 0 2 3 3 1 2 3 2 2 2 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 3 3 3 4 3 3 3 3 4 4 6 14 9 5 4 6 9 27 34 20 50 90 58 28 13 14 6 6 4 4 3 2 3 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 82 81 d 1H J 83 \| 79 79 d 1H J 22 \| 77 77 d 1H J 95 \| 74 73 m 6H \| 73 72 m 2H \| 68 68 t 1H J 20 \| 46 45 m 2H \| 43 42 m 4H \| 39 38 s 3H \| 25 25 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cccc(C(=O)c2c(-c3ccc(F)cc3)nn3cc(OC)ccc23)n1	ir: 22 21 3 21 17 15 18 11 13 7 5 11 14 13 6 9 15 6 4 12 15 5 6 14 14 3 3 10 14 13 4 14 11 7 4 13 9 5 21 30 13 1 11 29 36 33 18 13 21 16 16 14 9 6 11 77 45 1 13 31 22 43 23 18 26 27 20 21 11 5 9 13 7 13 12 15 6 3 9 12 9 6 12 10 5 12 27 14 3 4 11 9 3 5 14 9 2 5 12 9 20 9 12 8 2 6 22 13 0 6 12 8 8 13 16 15 1 8 21 11 3 8 14 10 15 14 25 11 11 8 10 46 51 31 61 7 6 13 38 38 48 16 14 5 8 24 85 100 17 37 15 8 9 11 9 19 88 20 11 5 6 12 13 15 5 11 6 1 6 11 6 0 6 11 6 1 6 11 5 1 7 11 5 1 7 10 4 2 8 10 4 2 8 9 4 3 8 9 3 3 9 8 3 4 9 8 3 4 9 8 2 4 10 7 2 5 10 7 2 5 10 7 1 5 11 6 1 6 11 6 1 6 11 5 1 6 10 5 2 7 10 5 2 7 10 5 3 7 9 4 3 8 9 4 3 8 8 3 4 9 8 3 4 9 8 3 4 9 7 3 5 10 7 2 5 11 7 2 6 11 7 3 7 16 21 9 33 57 55 15 79 47 10 6 9 11 7 4 8 11 5 3 8 9 5 3 8 9 4 3 8 8 4 4 8 8 4 4 9 8 3 4 9 7 3 5 9 7 3 5 9 7 2 5 9 6 2 5 10 6 2 6 10 6 2 6 10 6 2 6 9 5 3 7 9 5 3 7 9 5 3 7 8 4 3 7 8 4 4 8 8 4 4 8 8 4 4 8 7 3 5 9 7 3 5 9 7 3 5 9 6 3 5 9 6 2 6 9 6 2; 1HNMR: 88 88 d 1H J 17 \| 82 81 m 2H \| 80 80 m 2H \| 78 77 m 2H \| 72 71 m 2H \| 71 70 dd 1H J 14 95 \| 40 40 s 3H \| 38 37 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2nccc(Oc3ccc(NC(=O)N[C@@H](C)c4ccc(F)cc4)c(F)c3)c2cc1OC	ir: 4 1 2 2 1 3 2 1 0 2 1 2 1 2 20 3 2 4 6 2 5 4 2 1 1 2 2 2 2 2 2 2 3 5 5 2 2 3 4 1 6 12 45 23 4 4 5 5 1 3 27 3 8 17 27 31 20 10 2 1 8 10 3 2 3 2 4 10 58 41 5 4 9 9 11 2 2 2 2 3 3 3 1 0 1 1 1 3 7 1 2 2 3 1 3 4 3 5 3 3 1 4 8 5 2 2 1 3 2 8 7 4 4 2 0 4 3 4 2 4 1 3 1 3 3 5 5 4 4 3 1 2 2 1 4 8 4 2 2 2 1 3 2 6 6 13 21 41 25 16 84 47 27 16 34 31 19 4 3 23 2 12 2 1 1 1 4 2 1 1 1 1 0 0 1 1 1 0 1 1 1 1 0 1 0 0 0 1 1 1 1 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 2 3 2 3 4 9 11 39 100 29 20 10 4 3 3 2 1 2 2 2 1 1 1 1 1 1 1 2 3 9 17 48 49 19 7 12 8 4 2 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 86 85 d 1H J 49 \| 84 84 d 1H J 31 \| 78 78 dd 1H J 47 97 \| 77 76 s 1H \| 74 74 s 1H \| 73 72 m 2H \| 70 70 m 2H \| 70 69 m 2H \| 68 68 dd 1H J 21 97 \| 67 67 d 1H J 81 \| 52 52 m 1H \| 39 39 s 2H \| 39 38 s 2H \| 16 15 d 3H J 57	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)OC(=O)C(C(=O)Nc1ccc(O)cc1)=C1SC=CS1	ir: 2 4 6 7 12 6 3 5 6 7 12 11 9 8 4 2 2 5 2 2 3 1 5 2 2 2 3 4 4 16 10 5 7 12 30 4 6 3 3 1 5 3 2 6 3 6 12 10 18 22 43 5 15 6 29 27 31 10 6 2 5 6 2 3 2 2 2 3 2 6 2 1 2 2 2 3 3 9 20 13 82 19 16 12 3 0 5 8 7 37 13 0 16 10 3 2 2 2 3 5 20 5 3 2 5 17 7 3 4 2 2 2 3 4 3 3 1 6 3 3 4 4 1 2 3 2 13 9 2 3 2 1 2 1 2 2 1 5 7 4 7 1 1 2 5 3 1 7 19 21 17 53 93 100 25 8 6 2 1 2 1 1 2 10 2 1 1 2 1 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 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 2 2 4 3 3 3 2 1 2 2 2 2 2 2 2 2 3 5 17 2 12 21 17 11 17 10 3 3 11 47 25 11 6 1 3 3 2 2 2 2 1 3 4 5 5 10 20 22 2 2 2 3 1 1 2 3 2 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; 1HNMR: 77 77 s 1H \| 74 73 m 2H \| 68 67 m 2H \| 66 66 s 2H \| 52 51 p 1H J 60 \| 12 12 d 7H J 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCNC(=O)c1ccc(-c2cc(F)c(F)cc2CO)cn1	ir: 2 2 4 4 11 3 3 2 3 3 3 4 1 2 3 3 1 1 2 3 1 1 1 1 4 1 3 6 4 2 2 3 5 7 19 54 27 1 5 4 6 5 9 21 7 3 4 2 2 1 1 2 3 5 3 6 13 0 2 3 10 2 11 6 4 1 5 8 17 16 3 3 3 9 5 2 2 2 5 3 3 6 5 10 9 12 73 29 16 26 18 8 8 8 6 3 4 3 8 5 4 1 2 1 1 1 2 1 1 3 4 20 21 15 7 5 3 4 3 4 11 15 24 8 3 2 1 5 6 7 19 20 6 6 0 2 2 1 1 15 4 1 15 43 74 34 43 3 4 3 2 2 7 4 2 1 1 1 2 7 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 2 3 3 3 3 1 1 3 2 1 3 11 7 5 12 76 14 4 2 1 1 2 2 6 3 1 1 1 1 3 1 1 2 2 2 2 5 8 13 35 100 9 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 90 90 d 1H J 18 \| 84 83 t 1H J 56 \| 80 79 m 2H \| 74 73 dd 1H J 46 121 \| 73 72 ddt 1H J 9 44 121 \| 48 48 dd 2H J 8 58 \| 42 41 q 2H J 66 \| 38 37 m 1H \| 36 35 q 2H J 59 \| 27 26 t 2H J 60 \| 13 12 t 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(CP(=O)(OC)OC)c(C(F)(F)F)c1	ir: 18 9 20 5 5 3 14 5 1 7 21 16 3 4 3 1 1 4 5 8 5 6 17 20 2 1 2 3 1 2 1 1 1 1 5 1 2 8 3 2 2 3 2 3 9 10 8 6 4 6 3 5 7 4 6 11 20 20 2 2 1 1 2 1 1 2 9 30 18 17 12 8 22 65 36 11 9 14 21 12 32 60 100 5 4 2 0 0 1 3 2 1 4 3 0 1 2 2 56 77 27 0 3 2 1 2 3 8 32 18 8 4 4 19 15 9 4 15 8 5 6 4 5 22 6 11 7 4 4 6 10 2 3 2 3 1 0 1 1 0 0 1 1 2 6 61 51 37 5 3 14 13 3 3 1 1 2 2 1 1 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 2 2 3 4 9 11 6 3 6 14 18 17 9 29 31 11 6 5 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: 82 81 dt 1H J 12 25 \| 79 78 dd 1H J 21 72 \| 72 72 dt 1H J 9 74 \| 44 44 q 2H J 64 \| 40 39 dd 2H J 9 119 \| 37 37 d 6H J 108 \| 14 14 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Nc1ccc(Br)cc1C(F)(F)F	ir: 8 6 4 4 5 2 2 1 2 6 2 0 1 1 1 1 0 3 1 0 0 0 0 0 1 0 1 4 1 1 3 3 8 5 18 3 6 13 12 3 2 1 1 1 1 1 1 0 0 2 2 2 1 4 15 7 2 3 1 0 0 1 0 1 2 1 8 3 1 1 1 1 3 6 2 6 1 1 2 1 0 1 3 3 1 0 0 0 0 1 1 1 0 1 1 1 0 5 40 4 16 6 1 2 4 5 2 1 0 1 16 11 2 2 2 3 1 1 2 5 3 1 1 3 2 0 0 0 1 1 0 0 0 0 0 1 1 5 4 1 1 1 1 1 2 3 2 10 100 39 6 8 24 10 36 3 2 1 1 1 1 1 3 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 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 0 0 1 0 1 1 0 1 1 1 1 2 1 6 5 15 22 14 5 2 4 2 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 2 10 8 24 46 5 2 2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 dq 1H J 9 20 \| 77 76 s 1H \| 76 76 d 1H J 78 \| 74 74 dd 1H J 21 78 \| 42 42 q 2H J 63 \| 13 12 t 3H J 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCNC(=O)c1cccc2nc3ccc4c(CO)cccc4c3nc12	ir: 2 4 0 2 8 7 2 2 1 1 1 1 5 3 2 1 1 1 1 2 4 1 5 5 3 2 3 2 3 2 4 7 4 1 2 3 4 13 11 7 8 7 12 37 23 7 100 28 7 6 3 6 1 5 7 3 13 26 17 3 2 2 4 4 2 3 3 3 2 2 2 2 4 4 1 12 8 4 4 4 5 6 6 2 12 36 33 33 13 8 7 9 3 3 15 4 2 2 2 5 2 3 11 4 3 3 3 10 6 2 3 3 1 3 6 3 3 3 21 12 1 4 5 12 8 5 6 4 2 1 1 3 2 1 2 3 2 1 2 5 26 8 40 10 1 16 23 41 9 17 16 6 7 38 7 2 1 2 5 4 5 3 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 4 2 3 3 1 8 6 12 26 51 17 4 6 2 3 1 70 3 0 1 1 1 1 1 1 1 2 2 4 10 8 6 13 2 10 14 5 4 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 84 83 dd 1H J 14 87 \| 82 82 ddd 2H J 15 91 115 \| 82 81 d 1H J 92 \| 79 78 m 3H \| 75 74 dd 1H J 79 88 \| 73 72 dq 1H J 12 80 \| 50 50 dd 2H J 8 58 \| 38 37 t 1H J 58 \| 36 35 td 2H J 47 60 \| 26 25 t 2H J 59 \| 23 22 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1=CN(c2ccccc2)CC2=C3C1=C(Br)CCC3CC2	ir: 5 5 5 4 7 3 2 2 2 3 1 2 3 3 1 2 2 1 0 2 2 2 4 3 2 2 2 13 7 3 6 8 13 7 4 3 2 2 2 5 8 100 32 35 17 6 7 2 8 6 2 2 1 0 1 4 3 1 1 6 4 6 9 6 14 55 16 14 23 14 5 5 22 14 9 9 14 5 5 2 3 1 2 2 2 1 2 2 1 6 4 3 19 4 9 5 8 5 49 9 2 4 5 18 62 6 5 6 1 2 11 7 2 6 7 4 4 5 5 5 3 8 10 4 5 3 3 3 2 2 2 2 2 6 10 6 6 4 4 6 3 3 14 6 34 28 12 3 4 3 3 3 9 13 4 1 2 2 1 2 29 11 4 9 4 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 2 1 5 3 11 4 3 4 8 4 6 5 57 29 14 52 71 52 8 10 4 4 1 1 2 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 73 73 t 1H J 9 \| 73 72 m 2H \| 70 69 m 2H \| 68 67 tt 1H J 14 78 \| 45 44 m 2H \| 38 38 s 2H \| 30 29 ddd 1H J 54 81 154 \| 28 27 ddd 1H J 54 81 156 \| 24 23 m 2H \| 23 22 dddd 1H J 11 55 73 140 \| 20 19 m 1H \| 19 18 m 1H \| 17 16 ddt 1H J 54 81 133 \| 15 15 ddt 1H J 51 71 123	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccc(NC(C)=O)cc1OC	ir: 1 1 1 1 1 1 1 1 1 1 1 2 2 3 8 7 4 3 8 11 7 4 1 2 1 1 5 3 2 2 13 16 40 21 12 13 6 12 3 2 2 2 1 1 1 1 1 2 2 2 2 13 4 12 19 13 7 1 2 3 2 1 1 2 2 6 11 7 15 11 5 3 5 3 1 1 2 1 1 1 1 0 1 0 1 1 1 1 1 2 1 1 2 3 1 4 5 5 1 2 6 3 1 1 1 1 6 8 4 1 2 2 3 2 2 2 1 6 3 4 2 3 3 3 1 2 2 2 1 4 2 1 0 1 1 0 0 1 1 0 0 2 3 6 9 45 100 60 14 8 26 32 10 5 10 17 5 1 1 1 1 1 2 34 8 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 3 1 1 1 1 1 1 2 1 2 2 2 4 7 4 5 34 36 15 13 3 1 3 2 1 1 1 2 1 1 1 1 1 1 2 2 2 4 8 11 19 15 23 19 9 4 2 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 92 92 s 1H \| 74 73 dd 1H J 22 79 \| 71 70 dt 1H J 9 80 \| 70 70 d 1H J 22 \| 38 38 s 3H \| 27 26 qd 2H J 9 74 \| 22 21 s 3H \| 12 12 t 3H J 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(OCc1ccccc1)N1CCCCC1c1nc(-c2ccccc2)c[nH]1	ir: 1 2 1 1 1 2 1 2 3 2 2 1 2 2 2 1 2 1 1 2 1 1 1 1 1 1 2 2 3 11 19 6 4 6 6 3 3 8 14 18 100 21 9 8 4 4 3 5 3 9 4 7 2 1 4 2 2 1 2 1 2 2 1 3 4 3 5 4 8 15 4 2 1 0 2 2 4 4 11 4 2 1 2 3 2 1 2 4 9 26 3 13 4 4 1 3 2 4 12 9 7 2 3 1 0 4 4 3 4 10 15 20 9 9 24 5 6 5 3 8 8 6 6 5 4 4 3 2 1 2 1 2 4 4 6 26 19 31 12 5 3 10 33 34 19 19 6 8 3 2 3 4 21 3 1 1 1 1 0 0 0 0 0 1 1 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 1 1 2 3 1 7 8 14 4 2 2 2 5 3 36 19 13 29 95 28 8 8 5 2 2 7 9 13 39 11 2 3 1 1 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 d 1H J 58 \| 78 78 m 2H \| 75 74 m 2H \| 74 73 m 6H \| 67 66 d 1H J 58 \| 51 51 s 2H \| 50 49 t 1H J 49 \| 40 39 m 1H \| 38 37 m 1H \| 23 22 dddd 1H J 49 60 83 134 \| 21 20 dddd 1H J 48 58 86 134 \| 20 18 dtdd 1H J 61 76 88 112 \| 18 17 m 2H \| 17 16 dddd 1H J 49 70 99 139	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Nc2nc(Cl)ncc2I)cn1	ir: 2 7 2 2 1 1 1 1 3 3 8 26 28 5 8 1 1 1 4 4 1 2 2 1 1 5 18 9 15 3 3 2 2 5 7 21 19 100 67 27 11 10 7 2 3 2 2 1 3 1 1 2 6 10 20 3 5 3 3 4 2 3 2 7 2 1 1 1 1 1 12 1 1 2 1 1 1 1 2 2 1 2 2 1 2 2 1 1 9 2 3 1 1 1 2 4 2 2 4 4 2 1 1 1 3 8 13 5 2 2 0 24 16 8 3 2 2 2 1 2 2 2 1 5 3 2 2 5 3 1 1 3 3 1 2 9 70 10 13 2 2 8 18 4 2 2 2 4 30 1 2 6 52 13 66 65 5 3 2 0 1 2 3 8 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 2 4 4 30 5 2 1 1 2 1 1 1 2 2 1 1 1 2 2 4 2 1 1 2 3 2 19 77 24 7 5 3 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 87 s 1H \| 83 83 d 1H J 18 \| 82 82 s 1H \| 74 74 dd 1H J 20 82 \| 68 68 d 1H J 82 \| 39 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(F)c(NC(=O)Nc2ccc(-c3snc(N)c3C#N)cc2)c1	ir: 2 4 2 2 3 5 3 1 1 1 2 4 6 2 3 5 2 3 4 2 2 3 2 2 2 2 8 8 4 4 3 4 4 7 5 4 4 7 8 11 8 5 43 33 50 37 11 12 19 15 5 2 11 34 25 10 9 4 5 4 4 7 5 5 1 1 4 3 4 7 2 2 1 1 2 2 1 2 1 2 22 7 3 6 2 15 2 5 4 1 2 3 4 1 3 2 1 1 3 5 7 3 4 2 31 2 2 1 0 1 1 1 1 1 2 3 5 1 1 2 4 1 1 1 3 6 5 1 1 1 2 1 2 3 5 14 26 20 19 8 3 2 1 3 3 5 16 64 39 12 51 36 17 11 6 33 15 4 2 2 1 1 2 6 3 1 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 1 1 1 0 0 0 1 0 0 0 1 1 1 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 3 10 17 63 15 7 3 5 2 1 1 3 3 3 2 1 2 3 1 2 3 13 32 21 12 7 31 70 18 5 6 5 22 100 8 4 2 1 2 1 1 1 1 1 1 1 1 1 1 1 0 1 2 2 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; 1HNMR: 88 88 d 1H J 31 \| 83 82 s 1H \| 76 75 m 2H \| 75 74 m 3H \| 70 69 m 2H \| 51 50 s 2H \| 24 23 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1NCCc2c(-c3cccs3)[nH]c3cccc1c23	ir: 9 5 1 5 8 4 2 6 9 7 3 7 11 4 2 7 8 8 12 18 15 10 3 8 25 15 10 14 10 3 5 8 9 19 9 52 29 3 4 13 9 25 45 15 10 4 11 11 11 9 5 13 10 2 13 14 6 0 5 8 4 1 5 9 4 1 8 8 4 3 15 17 5 2 6 8 3 4 10 8 3 3 9 7 2 3 6 7 4 4 7 17 5 5 8 6 2 4 10 15 2 3 8 5 4 7 11 24 17 8 10 5 5 7 9 5 1 11 9 10 5 15 26 17 2 8 16 6 5 35 23 8 6 6 8 4 4 7 9 3 4 9 6 3 4 7 9 16 17 7 8 5 14 8 6 33 100 11 6 15 12 10 5 0 4 8 5 0 4 8 4 0 4 8 4 0 4 7 4 1 5 7 3 1 5 7 3 1 5 7 3 2 5 7 3 2 6 6 2 2 6 6 2 3 6 6 2 3 6 5 2 3 7 5 1 3 7 5 1 4 7 4 1 4 7 4 1 4 7 4 1 4 8 4 1 5 7 4 1 5 7 3 2 5 6 3 2 5 6 3 2 5 6 3 2 6 6 3 3 6 6 2 3 6 5 2 3 6 5 2 3 7 5 2 5 7 6 2 4 7 5 2 6 16 25 10 14 40 16 7 8 10 5 1 5 7 4 2 5 7 4 2 5 7 3 3 6 8 8 10 20 35 21 26 29 40 6 4 7 10 3 5 8 6 2 3 6 5 2 4 6 5 2 4 7 4 2 4 7 4 1 4 7 4 1 4 7 4 2 4 6 4 2 5 6 3 2 5 6 3 2 5 6 3 2 5 6 3 3 5 5 3 3 6 5 3 3 6 5 2 3 6 5 2 3 6 5 2 4 6 4 2 4 6 4 2 4 7 4 2; 1HNMR: 95 95 s 1H \| 78 78 dd 1H J 11 81 \| 76 75 dd 1H J 11 82 \| 74 73 dd 1H J 17 50 \| 73 72 m 3H \| 71 71 dd 1H J 50 60 \| 36 36 td 2H J 50 57 \| 32 31 t 2H J 56	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cn2c(c1OCc1ccccc1)C(=O)N(Cc1ccc(F)cc1)CC2	ir: 2 4 2 3 2 3 6 12 5 5 6 2 3 5 3 12 32 9 6 3 3 5 4 2 4 2 1 2 1 3 10 10 3 4 15 1 2 6 6 5 53 4 3 7 13 13 12 15 16 6 5 3 9 3 6 31 15 5 2 2 4 3 3 9 5 3 9 3 5 4 1 1 3 4 6 1 3 2 2 1 1 3 16 4 3 3 8 4 9 5 2 1 2 4 3 5 30 14 15 4 3 5 4 2 1 2 2 1 1 3 2 7 17 8 13 21 6 5 0 5 6 4 2 3 6 8 2 3 2 5 6 2 1 2 9 21 5 4 3 18 2 3 10 35 5 22 15 12 9 2 1 5 7 41 3 48 2 4 3 36 2 1 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 2 1 1 1 3 2 2 2 2 1 2 2 3 6 11 3 36 100 18 14 19 16 6 5 4 3 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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: 79 78 t 1H J 9 \| 74 73 m 8H \| 71 70 m 2H \| 51 51 t 2H J 9 \| 46 46 t 2H J 8 \| 43 42 q 2H J 64 \| 42 42 m 2H \| 37 36 m 2H \| 14 14 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNCc1ccc(-c2cccc3ccc(-n4cnc5cc(OC)ccc54)nc23)cc1	ir: 6 6 2 2 3 2 3 12 5 1 3 1 3 2 1 2 4 3 2 4 5 2 8 12 10 8 5 2 2 1 1 5 2 2 3 1 3 8 2 11 24 20 2 8 29 43 10 4 3 5 9 45 22 13 20 52 15 14 8 8 7 4 2 3 4 9 6 8 11 9 4 2 1 3 13 3 4 3 3 3 2 3 3 1 4 5 6 1 4 3 4 12 10 24 10 5 14 2 2 9 73 5 2 2 9 3 5 3 3 16 6 2 13 11 0 23 5 4 6 2 3 1 1 6 10 4 4 6 4 2 12 13 10 5 5 6 5 11 8 2 4 1 2 1 14 6 22 12 6 8 7 5 63 20 15 4 14 3 9 3 1 1 0 15 1 11 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 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 2 1 2 4 5 9 63 100 59 15 5 8 5 4 3 1 2 1 1 1 2 2 2 4 7 17 36 81 31 4 3 5 1 1 1 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 s 1H \| 83 83 d 1H J 65 \| 80 79 d 1H J 66 \| 79 79 d 1H J 86 \| 79 78 d 1H J 86 \| 78 78 d 1H J 85 \| 76 75 m 3H \| 74 73 dq 2H J 9 79 \| 72 71 d 1H J 22 \| 70 70 dd 1H J 21 85 \| 41 40 dt 2H J 9 52 \| 38 38 s 2H \| 36 35 h 1H J 51 \| 25 25 d 3H J 51	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-c2ccc(OCCCCl)cc2)nn(C)c1=O	ir: 5 16 1 1 1 1 0 1 2 1 0 4 3 1 1 1 1 4 1 1 0 1 17 2 2 2 4 2 0 3 1 1 1 1 4 1 1 2 3 1 1 1 1 2 5 10 2 2 1 0 1 3 7 5 39 100 9 5 1 0 1 1 1 0 1 3 1 7 6 5 2 1 1 3 1 5 1 1 2 1 1 1 0 0 1 0 0 1 1 1 0 0 1 1 4 1 1 2 1 1 1 2 3 3 1 1 1 1 2 8 4 2 0 2 3 3 3 7 3 3 1 2 2 1 2 4 5 1 1 2 1 1 1 1 1 1 1 8 3 1 1 71 2 1 1 1 1 2 7 6 7 8 12 1 1 1 1 0 1 1 9 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 2 1 1 2 2 7 3 3 6 33 21 9 3 2 2 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 0 0; 1HNMR: 76 75 m 2H \| 75 75 q 1H J 14 \| 70 69 m 2H \| 41 41 t 2H J 50 \| 38 37 t 2H J 38 \| 36 36 s 2H \| 22 22 tt 2H J 37 49 \| 22 22 d 3H J 13	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc(C(=N)NO)ccc1NC(C)=O	ir: 3 4 14 6 5 5 11 5 9 8 4 5 4 6 8 4 8 9 7 8 2 7 7 11 10 6 8 5 9 9 7 6 15 17 7 15 6 5 9 5 5 4 4 1 2 3 3 2 1 4 3 3 3 3 5 6 14 3 2 1 2 3 1 2 2 3 2 2 3 8 19 11 7 18 18 2 2 2 2 1 1 1 1 4 5 4 2 5 10 4 1 2 4 6 34 70 0 7 3 2 9 3 2 1 2 1 1 2 1 1 1 1 2 2 2 6 10 7 4 3 3 2 4 3 2 3 4 5 15 8 6 6 11 6 2 3 1 19 4 2 3 1 3 6 15 43 51 19 5 8 10 37 21 9 16 4 2 1 1 1 1 0 1 8 2 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 1 1 1 1 1 2 2 2 3 1 2 4 6 6 13 14 20 6 2 3 1 3 2 38 5 4 2 2 1 3 4 100 48 8 3 3 4 14 13 32 38 19 15 3 4 4 3 2 2 2 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 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; 1HNMR: 92 92 d 1H J 24 \| 84 84 s 1H \| 77 77 s 1H \| 75 75 dd 1H J 20 82 \| 74 74 dt 1H J 8 18 \| 72 71 d 1H J 82 \| 64 63 d 1H J 24 \| 27 26 qd 2H J 9 72 \| 21 20 s 3H \| 13 12 t 3H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)CCCC(=O)OC	ir: 3 2 2 2 1 1 3 5 3 5 4 3 9 5 3 2 5 7 6 6 10 8 10 4 6 11 17 19 2 4 5 3 3 7 15 5 7 18 4 2 7 7 8 11 13 5 8 9 1 3 2 4 1 2 1 2 1 2 1 1 1 2 2 1 2 3 2 2 3 1 3 4 2 3 8 3 1 1 1 1 1 1 0 0 1 0 1 1 1 1 1 1 3 2 1 1 1 2 5 1 1 3 4 2 2 1 2 3 2 12 5 8 10 3 13 19 21 4 3 11 8 7 10 4 5 3 4 4 5 2 1 1 2 1 3 3 3 3 3 18 10 5 5 6 31 10 16 13 7 20 3 1 1 1 2 47 7 0 3 100 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 2 1 3 1 2 1 1 2 2 2 3 5 8 5 2 1 1 1 1 0 1 1 1 0 1 0 1 2 0 1 1 1 1 1 1 4 4 6 16 25 47 19 5 4 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 s 1H \| 76 76 t 1H J 70 \| 62 61 d 1H J 75 \| 47 46 d 2H J 70 \| 44 43 q 2H J 55 \| 40 39 dp 1H J 48 75 \| 38 37 ddd 2H J 29 57 119 \| 37 36 s 2H \| 35 34 ddd 2H J 29 57 117 \| 28 27 q 2H J 75 \| 24 23 dt 4H J 87 219 \| 21 20 dddd 2H J 28 49 57 137 \| 19 17 m 4H \| 16 15 t 3H J 56 \| 13 13 t 3H J 74	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(Oc2nccnc2Cl)cc1	ir: 7 6 17 8 10 4 2 5 9 8 9 55 25 100 28 5 3 4 3 2 2 3 4 5 3 3 9 8 3 11 3 2 7 12 3 3 2 2 2 3 5 7 5 4 4 2 2 5 3 3 3 5 4 3 11 55 41 10 3 0 3 4 4 1 2 3 2 1 4 17 4 5 14 11 6 3 3 5 20 11 3 3 16 69 46 8 1 8 13 5 2 3 4 4 3 4 4 7 5 4 4 3 1 2 4 5 28 6 2 3 2 9 15 23 12 23 76 36 9 4 6 5 4 4 5 35 14 4 11 4 1 2 3 1 1 8 5 2 2 3 3 4 13 82 35 5 9 4 6 9 16 26 40 6 4 5 3 1 2 2 2 2 3 11 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 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 2 2 3 3 2 2 3 2 2 2 3 2 1 2 4 3 9 13 27 23 84 29 7 7 5 3 3 6 6 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 81 81 m 2H \| 81 80 m 2H \| 71 70 m 2H \| 44 44 q 2H J 64 \| 14 14 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

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