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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
CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(C(C)O)ccc23)C1=O	ir: 2 3 3 4 7 4 2 2 2 1 3 2 2 4 3 2 4 2 1 2 2 2 2 3 2 1 1 3 5 4 7 2 3 5 4 5 2 4 8 22 5 2 12 20 11 4 7 8 2 4 15 39 5 26 11 4 2 35 14 3 2 1 1 3 2 1 4 7 3 3 5 6 3 4 7 13 4 2 2 2 2 1 4 5 5 4 4 45 5 4 15 9 1 1 4 3 1 1 2 2 1 2 4 3 7 3 9 9 3 2 3 4 1 5 17 8 14 9 9 6 2 4 7 10 8 10 10 8 12 5 8 5 6 3 3 1 2 8 3 1 1 3 4 5 5 7 7 100 12 12 2 1 1 4 4 3 1 7 3 6 3 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 2 1 1 1 1 2 2 2 2 3 4 3 3 7 9 5 8 37 11 16 5 3 2 1 2 9 4 1 1 1 1 1 2 2 5 7 21 20 14 9 25 13 12 3 2 3 2 1 2 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 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 80 79 d 1H J 87 \| 78 78 d 1H J 97 \| 78 77 dd 1H J 22 84 \| 77 76 dq 1H J 52 62 \| 76 76 m 1H \| 73 72 m 3H \| 70 70 ddt 1H J 9 18 81 \| 70 69 d 1H J 84 \| 67 66 ddd 1H J 17 73 82 \| 54 53 m 2H \| 49 49 m 1H \| 45 45 dt 1H J 65 97 \| 38 38 s 2H \| 32 31 m 1H \| 31 30 dddd 1H J 9 91 97 157 \| 30 29 dddd 1H J 9 91 100 158 \| 24 24 dd 3H J 15 51 \| 24 24 d 1H J 49 \| 24 22 m 1H \| 21 20 dtd 1H J 62 94 139 \| 15 15 d 3H J 62 \| 13 13 d 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1	ir: 0 4 2 2 3 3 4 2 3 3 1 6 6 13 14 5 15 13 11 33 12 63 32 37 16 8 7 2 1 1 1 1 1 1 3 2 3 2 1 2 1 2 0 1 1 4 3 1 1 3 3 2 8 42 51 9 6 7 8 3 3 1 2 1 3 4 9 6 15 3 3 1 3 5 4 5 19 13 23 48 32 15 21 12 3 3 13 14 14 3 6 2 5 8 9 4 3 4 7 6 9 3 3 2 9 4 2 3 4 2 3 3 12 8 2 4 5 2 4 3 2 2 5 5 6 5 5 4 2 1 1 2 1 2 1 6 3 2 2 1 4 6 2 29 11 9 20 5 5 12 3 1 8 4 1 0 0 1 1 0 2 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 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 1 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 1 0 0 1 1 1 0 1 1 1 1 1 3 2 2 2 2 2 6 3 3 11 3 31 100 16 6 8 2 2 1 7 3 45 50 34 5 2 1 1 0 0 0 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 m 4H \| 74 74 dd 1H J 23 91 \| 74 73 dt 1H J 9 20 \| 68 68 d 1H J 91 \| 51 51 d 2H J 9 \| 37 37 d 2H J 10 \| 30 29 ddd 2H J 56 83 121 \| 27 26 ddd 2H J 57 84 123 \| 24 24 p 1H J 58 \| 22 21 ddt 2H J 57 84 125 \| 19 19 ddt 2H J 57 83 125	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C=CC=C(C)C=Cc1ccc(OCc2ccccc2)cc1	ir: 8 4 3 3 4 2 1 1 2 2 3 4 1 2 2 2 10 14 8 2 1 2 2 1 2 1 3 5 6 9 7 3 2 3 3 5 2 6 7 13 19 6 4 1 2 5 3 1 5 54 40 15 22 14 13 2 5 4 2 2 3 1 8 8 4 6 9 11 6 6 4 5 10 6 11 18 32 7 6 5 4 10 2 1 2 2 6 7 3 8 3 2 1 1 1 1 2 3 3 4 7 8 5 3 2 6 8 31 2 3 1 10 5 1 1 2 4 3 4 5 10 6 4 2 1 5 4 3 1 1 3 3 2 6 11 10 4 11 11 23 9 11 14 8 9 15 26 31 13 1 1 12 25 5 14 7 3 0 1 3 5 0 1 1 2 4 2 2 1 1 4 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 2 2 1 2 1 1 1 1 2 1 1 4 3 5 10 25 57 63 100 51 47 8 9 4 3 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 74 72 m 9H \| 70 69 m 1H \| 68 67 ddq 1H J 11 22 152 \| 66 66 m 2H \| 66 65 ddq 1H J 14 27 88 \| 61 60 dd 1H J 15 156 \| 51 50 t 2H J 9 \| 38 37 s 2H \| 21 20 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc2cc([N+](=O)[O-])ccc2s1	ir: 3 4 4 14 100 19 11 3 0 5 11 5 3 5 4 2 2 3 4 6 66 8 5 2 1 4 4 2 2 4 4 3 4 34 27 6 5 4 5 5 4 4 4 2 3 7 5 10 16 36 23 4 7 36 94 11 4 3 3 2 5 7 2 1 3 6 3 9 40 16 5 3 3 4 2 2 3 3 2 2 3 3 1 2 3 4 6 13 11 14 9 4 29 82 23 3 5 7 2 16 78 6 3 2 3 4 4 5 7 6 19 13 28 19 13 9 9 9 8 7 2 5 24 30 89 40 1 5 8 3 3 6 5 3 2 3 4 1 3 12 50 5 2 4 4 2 2 3 13 21 3 6 4 11 49 13 7 1 3 2 20 3 3 37 3 2 3 5 2 1 2 4 3 0 2 4 2 1 2 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 4 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 0 2 4 2 1 2 4 2 1 2 3 2 1 2 4 2 1 3 3 2 1 2 4 2 1 3 3 1 1 3 3 2 2 3 3 1 2 4 3 2 2 4 4 3 4 7 4 3 4 4 4 5 8 6 5 4 7 16 10 12 22 55 55 71 82 82 31 16 13 4 7 8 8 4 2 2 3 2 2 2 3 3 2 2 3 3 3 2 2 3 2 2 3 3 2 2 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 2 3 2 1 2 3 2 1 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 3; 1HNMR: 87 87 t 1H J 22 \| 83 83 dd 1H J 22 86 \| 81 81 d 1H J 86 \| 74 74 m 1H \| 28 28 qd 2H J 8 67 \| 13 13 t 3H J 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C#N)cc2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc12	ir: 4 5 6 6 7 8 4 3 4 3 3 5 13 8 6 4 4 3 3 4 4 3 3 4 7 4 6 4 4 4 6 22 6 28 11 5 3 3 3 3 3 3 3 3 4 4 5 4 4 4 22 4 4 5 9 21 15 4 3 3 3 3 12 3 3 4 4 4 7 6 4 4 3 3 3 3 4 6 7 7 8 9 11 6 13 20 26 26 16 13 13 6 4 4 5 5 5 28 9 4 4 4 6 7 29 5 4 4 3 4 3 3 4 3 4 3 3 12 37 20 23 5 3 3 4 5 4 9 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 3 3 4 6 6 4 10 18 100 29 18 3 5 3 2 7 4 3 3 8 9 3 0 7 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 4 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 4 4 13 19 12 5 4 4 4 3 3 3 3 3 3 3 3 3 3 3 3 10 20 4 4 6 7 23 30 25 12 7 6 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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: 93 93 s 1H \| 91 91 d 1H J 16 \| 80 80 t 1H J 19 \| 77 76 m 2H \| 76 75 m 2H \| 75 74 d 1H J 22 \| 72 72 s 2H \| 40 40 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=Cc1cccc(-c2ccc3c(c2)C2(CC(c4ccccc4)O3)N=C(N)N(C)C2=O)c1	ir: 2 3 2 2 1 2 2 2 1 1 4 5 2 3 2 2 4 3 2 6 4 3 7 5 3 6 4 12 7 8 11 9 9 8 20 11 3 4 10 6 12 15 4 1 2 3 3 7 5 2 3 3 3 10 12 13 2 2 2 0 1 2 1 2 2 4 6 5 11 4 6 2 1 1 2 4 2 3 5 2 2 1 1 2 1 1 1 9 2 1 3 3 2 1 1 1 3 3 2 2 1 1 1 1 4 1 1 1 1 4 2 1 1 3 0 3 3 4 5 3 1 3 5 3 2 2 1 3 2 2 3 2 4 1 4 6 4 2 2 3 15 17 17 9 9 3 4 5 21 27 8 28 28 3 3 2 2 1 2 1 1 1 1 2 1 1 1 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 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 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 2 1 2 2 1 5 2 2 1 6 9 9 26 14 3 3 2 4 3 2 1 1 2 1 2 1 2 2 4 3 8 17 3 2 2 1 1 2 2 1 2 8 100 14 3 2 1 1 1 1 0 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 m 2H \| 75 75 m 2H \| 75 73 m 8H \| 71 70 d 1H J 80 \| 69 68 dd 1H J 108 163 \| 65 65 s 2H \| 57 57 dd 1H J 27 109 \| 56 56 dd 1H J 26 162 \| 55 54 m 1H \| 33 33 s 2H \| 29 28 dd 1H J 60 137 \| 26 25 dd 1H J 60 136	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1sc(-c2cccnc2)nc1Cl	ir: 0 1 2 2 0 1 2 1 0 1 2 4 1 2 2 1 1 6 4 1 1 1 2 1 0 1 2 0 0 1 2 0 4 4 1 0 4 7 2 1 1 2 1 1 1 7 4 0 1 2 6 3 2 2 1 0 7 25 28 5 2 5 3 1 3 3 3 1 2 3 1 1 2 2 2 1 1 7 1 1 2 9 6 1 2 2 9 9 14 3 1 1 1 1 1 3 2 2 2 3 3 2 1 1 2 2 1 3 2 1 1 1 2 2 1 2 3 2 1 2 4 7 1 4 2 3 1 1 5 19 3 3 2 1 5 7 2 1 1 2 6 9 17 4 2 0 1 2 1 1 2 9 3 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 3 3 3 2 1 0 1 2 1 0 1 2 3 0 1 2 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 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 4 2 2 2 2 1 1 2 3 3 1 2 3 4 6 7 18 19 100 13 3 3 2 2 3 1 1 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 90 90 d 1H J 19 \| 87 86 dd 1H J 17 48 \| 82 82 dt 1H J 18 82 \| 75 74 dd 1H J 48 82 \| 26 26 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(Cl)ncc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c1Nc1cc(F)ccc1F	ir: 8 4 4 4 9 5 6 9 3 12 25 7 10 20 10 3 11 6 5 5 2 10 7 10 16 4 4 15 14 10 6 3 3 10 5 5 6 7 13 7 13 19 3 3 5 3 5 4 2 3 3 6 6 1 100 6 8 10 9 1 2 3 4 3 3 4 3 2 8 9 4 4 6 7 2 2 4 3 2 1 2 1 1 1 1 16 5 7 5 3 2 1 2 3 2 5 3 5 5 2 7 19 11 3 5 8 0 2 4 4 15 8 15 8 12 3 2 7 3 7 7 4 6 6 21 6 6 8 9 5 4 5 3 4 3 12 9 6 1 3 2 1 2 3 12 12 19 48 42 11 6 2 9 4 4 15 41 16 7 75 11 4 13 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 2 3 2 2 4 6 4 10 5 11 23 35 60 11 4 4 2 3 2 4 1 2 1 2 1 2 1 2 2 2 3 3 5 7 13 21 23 17 5 1 5 2 3 2 2 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 83 d 1H J 40 \| 83 82 s 1H \| 73 72 m 3H \| 71 69 m 4H \| 39 38 ddd 2H J 57 84 123 \| 35 34 ddd 2H J 57 84 121 \| 29 28 m 1H \| 24 24 s 2H \| 22 21 ddt 2H J 56 84 130 \| 19 18 ddt 2H J 56 84 130	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)C(=O)OC1(O)CCC(C(C)(C)C)CC1	ir: 3 4 4 7 4 5 25 6 5 7 17 16 21 8 4 10 26 10 15 9 57 49 20 8 7 8 3 3 5 3 1 2 2 1 1 2 2 1 1 3 2 1 4 3 2 1 1 2 2 2 1 2 2 0 2 3 1 1 1 3 3 2 5 6 3 1 4 6 3 1 3 3 9 7 11 13 16 19 30 9 5 3 2 2 1 1 2 2 2 8 7 15 9 8 8 5 11 14 18 7 6 14 17 7 3 4 5 11 12 21 12 8 13 30 13 5 5 5 4 3 2 7 9 7 4 3 5 11 6 15 18 20 14 5 4 1 3 2 3 1 1 1 1 1 1 1 2 8 41 18 2 0 1 2 1 1 3 3 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 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 1 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 0 1 1 1 1 2 1 0 1 2 2 1 3 3 2 4 4 4 3 4 4 6 8 2 3 18 17 9 8 7 4 1 10 52 39 50 100 10 4 3 3 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 59 58 dq 1H J 9 17 \| 57 56 p 1H J 15 \| 52 52 s 1H \| 21 20 ddd 2H J 66 90 142 \| 20 19 t 3H J 11 \| 18 17 m 4H \| 15 14 ddt 2H J 67 90 134 \| 13 12 dddt 1H J 15 30 56 100 \| 9 8 d 9H J 15	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C/C(=N\NC(=N)N)[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ir: 3 2 2 1 2 5 6 3 3 15 6 13 28 5 11 40 12 13 2 5 5 5 7 5 5 9 4 4 2 1 1 1 1 1 0 1 2 4 2 1 1 1 2 2 1 1 2 1 1 1 2 2 5 16 3 1 1 1 1 2 1 1 1 1 2 2 2 4 3 3 4 4 5 5 3 4 2 9 4 5 3 4 8 9 2 5 8 28 21 13 9 4 2 3 5 6 5 2 4 5 4 4 5 2 1 6 7 14 4 2 5 4 2 4 20 7 2 5 3 6 0 4 3 2 0 2 3 2 2 1 2 1 2 1 2 1 4 6 3 1 1 1 1 1 1 3 8 2 1 2 1 0 1 1 6 3 1 1 1 0 1 1 1 0 2 3 3 3 11 35 20 4 5 2 2 1 2 1 0 0 1 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 1 0 0 1 1 0 0 1 0 0 1 1 1 2 1 1 0 0 1 1 0 0 1 1 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 2 2 1 2 4 3 4 2 2 3 1 4 4 7 8 3 4 6 2 4 4 20 55 41 55 18 14 8 7 8 12 12 100 9 10 6 3 3 2 3 2 19 7 26 3 3 3 2 2 1 1 1 1 1 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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; 1HNMR: 82 81 s 1H \| 63 63 s 2H \| 52 51 s 1H \| 39 38 m 1H \| 32 31 d 1H J 57 \| 31 30 s 1H \| 30 29 ddt 1H J 16 54 71 \| 20 19 m 4H \| 19 17 m 2H \| 17 17 m 1H \| 17 16 m 3H \| 17 14 m 10H \| 14 11 m 6H \| 9 9 d 5H J 119	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@@H](NC(=O)c1ccc(-c2ccccc2OC)cc1N)C1CCCCC1	ir: 2 3 3 1 3 3 2 2 2 2 3 2 3 3 4 6 4 4 3 6 2 4 1 5 4 4 7 2 4 5 4 3 4 9 4 1 2 2 3 2 1 2 25 10 37 13 5 2 2 2 1 1 1 1 2 0 3 2 1 0 1 1 2 2 1 1 2 4 4 2 2 2 1 1 2 3 2 2 1 4 4 5 5 7 6 1 1 1 0 2 3 2 1 1 1 1 4 5 1 1 1 1 1 1 1 4 2 1 3 3 4 4 2 2 1 1 2 2 2 4 4 5 17 3 10 3 1 1 2 1 1 1 1 1 1 2 1 6 2 9 6 2 4 19 18 2 2 2 17 7 2 1 2 4 2 2 5 100 11 19 6 2 1 2 12 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 0 1 2 1 2 3 1 2 0 5 4 3 30 9 2 1 1 1 0 0 1 0 0 1 0 0 0 1 1 1 12 11 0 1 3 5 6 8 7 2 1 5 15 71 13 2 3 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 d 1H J 84 \| 75 75 dd 1H J 13 77 \| 75 74 d 1H J 86 \| 73 72 m 2H \| 72 71 td 1H J 11 76 \| 71 71 s 2H \| 70 69 dd 1H J 12 76 \| 69 68 d 1H J 22 \| 44 43 m 1H \| 39 39 s 2H \| 35 35 s 2H \| 24 23 dp 1H J 59 81 \| 18 16 ddt 2H J 61 88 139 \| 16 15 m 2H \| 15 13 m 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CC2CN(c3nc(C4=NOC(c5c(F)cccc5F)C4)cs3)CC2C1	ir: 5 5 6 12 24 37 14 7 9 13 61 14 3 10 12 5 7 6 3 1 0 3 5 7 2 5 7 4 7 4 3 2 3 3 2 1 1 3 9 2 2 4 3 1 3 6 15 100 22 12 16 21 7 7 5 0 5 12 12 6 15 13 25 8 3 7 6 3 7 4 3 8 9 6 9 4 3 4 2 1 3 4 4 4 4 6 7 6 8 5 3 12 12 22 13 30 21 10 17 4 11 33 50 61 14 13 23 12 7 9 10 8 14 17 20 23 24 11 20 16 18 10 9 5 12 6 6 7 20 20 28 33 15 33 14 7 5 18 26 35 10 8 2 2 2 0 3 4 2 4 34 32 8 4 3 15 16 2 2 2 2 1 2 3 2 1 2 3 2 0 2 2 1 0 2 3 1 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 1 3 3 2 3 4 6 4 7 7 7 3 9 7 5 6 10 17 15 38 60 33 38 74 59 25 10 13 6 4 4 2 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 74 73 tt 1H J 51 79 \| 71 70 ddt 2H J 7 80 98 \| 69 68 s 1H \| 63 62 tt 1H J 48 60 \| 39 38 m 2H \| 37 36 m 4H \| 35 34 m 2H \| 34 33 dd 1H J 59 166 \| 31 31 dd 1H J 59 166 \| 22 21 qd 2H J 10 22 \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1C[C@H]2CC(n3ccnc3)C(O)[C@H]2C1	ir: 1 4 2 2 3 2 3 2 2 4 4 4 5 2 3 2 2 3 2 2 2 3 2 2 1 2 2 1 1 2 2 2 2 3 3 7 2 4 4 3 4 6 3 5 2 2 3 3 2 2 1 2 2 2 2 3 2 2 2 4 2 7 5 3 5 13 3 3 6 3 2 4 3 3 2 2 2 2 1 1 3 5 5 2 2 2 5 10 19 6 4 3 7 9 15 5 4 5 12 17 6 5 16 25 24 7 12 5 7 9 3 2 5 7 9 3 10 11 6 5 14 10 8 10 4 5 3 13 5 7 10 8 5 4 2 2 2 1 1 2 2 2 2 2 3 4 10 3 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 2 2 1 2 2 1 2 3 2 2 2 5 5 3 4 4 3 6 3 4 3 7 8 14 16 20 33 50 16 2 27 48 11 5 7 5 7 100 9 0 3 4 2 1 2 2 1 1 2 2 1 1 2 2 1 1 1 1 1 1 2 2 1 2 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 76 m 1H \| 71 70 qd 2H J 18 45 \| 41 41 m 1H \| 40 40 dt 1H J 39 53 \| 39 39 d 1H J 38 \| 38 36 m 2H \| 35 34 ddd 2H J 25 57 112 \| 27 26 m 1H \| 25 25 tddd 1H J 7 17 24 40 \| 22 21 dddd 1H J 18 26 46 128 \| 20 19 dt 1H J 46 128 \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C(=O)N(CCC(Br)C(=O)O)C(=O)C1(C)C	ir: 3 7 3 2 2 2 2 3 2 2 3 3 2 6 6 3 3 7 6 4 11 16 8 6 7 3 3 2 2 2 2 3 2 2 2 2 2 1 2 4 2 1 5 100 30 10 5 0 2 4 2 2 2 4 2 1 2 3 2 1 2 3 2 2 3 3 3 3 3 3 2 2 3 2 2 3 5 4 12 25 5 4 5 2 3 4 3 2 3 3 2 2 3 2 2 2 3 3 2 3 5 2 2 2 3 2 3 3 6 6 9 4 3 3 2 2 2 2 4 6 6 9 4 9 3 2 2 4 5 4 3 3 3 3 2 3 4 5 5 4 4 2 4 27 4 3 5 2 10 7 1 3 2 2 2 17 9 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 3 2 3 2 3 3 3 3 3 8 3 3 3 2 2 2 2 2 2 2 3 67 93 6 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 43 42 t 1H J 69 \| 42 41 dt 1H J 90 132 \| 40 40 dt 1H J 90 132 \| 29 29 s 3H \| 25 24 dtd 1H J 70 90 143 \| 23 22 dtd 1H J 69 90 141 \| 15 14 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1oc(-c2ccc(C(=O)NCc3cccnc3)cc2)nc1CS(=O)(=O)C1CCNCC1	ir: 13 51 13 30 4 16 2 5 3 5 4 4 1 12 30 5 1 3 3 4 2 11 5 1 1 4 9 11 4 9 9 4 13 30 11 55 9 5 8 4 11 5 16 15 12 6 11 12 12 7 23 5 4 11 6 4 9 20 13 3 26 42 69 10 18 12 7 30 28 14 12 7 28 16 3 1 3 5 3 2 4 4 2 0 3 17 53 12 4 11 4 10 4 5 3 4 2 1 7 2 2 6 20 4 13 14 5 6 7 7 13 38 79 38 35 69 27 24 6 11 15 18 12 29 9 5 16 10 10 18 9 6 3 4 7 13 32 22 1 11 8 5 28 17 8 3 2 4 4 39 9 11 8 63 8 5 2 2 14 2 2 1 1 2 1 0 1 1 4 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 2 2 3 4 5 10 10 5 4 5 3 4 6 43 9 9 17 70 81 11 5 3 3 2 2 2 4 3 2 2 3 2 4 7 11 20 100 6 5 6 33 28 8 8 2 2 2 1 1 2 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 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 87 86 dq 1H J 11 22 \| 85 84 ddd 1H J 13 20 42 \| 82 82 t 1H J 66 \| 81 81 m 2H \| 79 79 m 2H \| 78 77 dtt 1H J 9 19 79 \| 73 72 dd 1H J 43 78 \| 48 48 p 1H J 39 \| 46 45 dt 2H J 9 66 \| 45 45 s 2H \| 31 30 p 1H J 75 \| 29 29 ddt 2H J 39 66 126 \| 28 27 ddt 2H J 39 66 126 \| 24 23 s 2H \| 21 20 dddd 2H J 38 66 75 141 \| 19 18 dddd 2H J 38 66 75 141	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(N)(CCCc1ccccc1)C(=O)O	ir: 4 3 3 1 2 4 5 2 1 4 6 5 2 2 3 3 1 5 9 8 13 29 26 21 4 4 2 4 2 2 5 4 2 0 1 1 1 2 2 10 8 2 3 2 1 1 0 1 1 1 1 1 1 0 2 1 2 2 2 4 4 2 2 4 2 6 18 17 10 10 1 1 2 1 1 2 3 7 11 9 17 10 2 2 10 9 7 2 4 5 2 1 2 1 2 1 4 2 2 2 2 1 2 1 6 3 1 1 1 3 4 2 1 2 2 4 2 6 4 5 3 3 3 2 2 3 4 5 6 6 9 12 33 20 7 5 4 2 1 2 1 2 1 5 15 10 25 1 1 1 1 1 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 1 2 2 1 1 1 1 2 1 2 2 10 5 5 11 6 2 2 1 2 1 3 3 100 92 6 2 2 8 14 3 7 2 4 3 4 30 22 4 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; 1HNMR: 73 72 m 4H \| 72 71 ddt 2H J 8 17 77 \| 46 46 s 2H \| 27 26 m 2H \| 23 22 dt 1H J 81 150 \| 21 20 dt 1H J 82 150 \| 19 17 m 2H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C(F)(F)F)c(C(=O)O)c(C)n1	ir: 1 2 1 1 1 1 1 1 1 1 2 2 5 5 7 5 2 4 7 12 42 88 40 3 4 4 3 3 2 3 3 3 2 1 1 1 1 1 1 1 5 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 5 13 10 5 3 2 7 7 8 6 4 6 13 36 5 2 3 5 3 2 2 3 1 1 1 1 1 1 1 1 6 2 2 30 7 3 1 1 1 1 2 1 6 8 5 2 7 24 3 3 2 7 11 9 2 1 1 2 2 2 2 4 4 4 9 3 3 24 9 3 2 1 1 3 5 65 5 1 0 3 3 4 3 11 16 7 5 2 2 1 1 2 5 12 29 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 2 1 1 1 1 2 1 1 2 2 2 1 1 2 5 1 7 7 8 3 2 2 1 1 2 3 8 100 6 0 2 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 72 72 q 1H J 20 \| 27 27 s 3H \| 25 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc(C=O)c(F)cc1Cl	ir: 0 2 4 2 25 8 3 4 39 17 7 2 1 3 4 2 1 3 4 9 4 3 4 1 1 3 3 2 1 3 4 2 1 4 4 7 7 4 10 11 18 9 4 1 2 4 4 2 5 6 4 3 4 5 4 5 12 9 81 11 30 6 4 2 3 7 37 100 26 12 12 2 4 5 2 2 3 5 2 1 3 3 1 2 3 2 1 3 3 11 17 17 9 21 22 15 26 50 2 2 5 3 2 4 7 29 1 3 5 4 3 5 6 11 8 4 5 6 5 6 6 3 3 2 6 5 2 3 4 2 3 3 3 2 1 3 3 2 3 11 13 1 1 3 4 11 16 41 50 98 78 10 7 23 4 4 3 2 2 3 3 2 4 28 2 2 2 3 2 1 2 3 2 1 2 4 2 2 3 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 2 3 3 2 1 3 3 1 1 3 3 1 2 3 2 1 2 7 19 5 3 3 3 3 5 6 4 2 3 5 4 18 11 19 53 73 15 4 13 13 4 4 6 2 2 3 2 2 2 3 2 2 4 3 2 1 3 3 2 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 78 78 dd 1H J 11 37 \| 73 72 d 1H J 122 \| 28 27 qd 2H J 9 75 \| 13 12 t 4H J 75	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccccc1)c1ccc(S(=O)(=O)N2CCc3occc3C2)cc1	ir: 11 15 10 11 17 8 24 13 14 5 5 31 6 6 4 22 11 6 4 11 4 5 2 2 8 5 8 13 11 3 3 7 34 36 32 3 31 28 11 6 16 10 18 6 4 2 2 2 1 0 1 3 3 1 5 17 15 4 12 6 2 1 2 3 5 11 13 8 9 3 9 2 2 12 9 3 11 51 2 17 21 43 43 64 91 16 44 15 20 34 6 4 5 2 2 2 9 14 7 7 7 3 1 2 1 1 1 1 1 1 1 1 2 1 1 6 18 10 4 8 3 9 4 13 8 25 7 3 2 2 3 2 6 5 34 9 3 1 2 10 100 20 12 1 30 6 9 4 6 3 5 1 6 2 1 1 1 1 1 1 3 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 2 5 1 0 1 3 2 2 2 19 8 1 20 75 43 20 9 9 3 4 3 1 2 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 1 1 1 0 1 1 0 1 0 0 0 0 1 0 0 1 1 0 1 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0; 1HNMR: 80 79 m 4H \| 78 78 m 2H \| 76 75 m 1H \| 75 75 ddt 2H J 14 64 82 \| 73 73 d 1H J 18 \| 63 63 dt 1H J 8 18 \| 43 43 d 2H J 11 \| 36 35 m 2H \| 29 29 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCNC(=O)O[C@@H]1CNC[C@H]1c1ccc(F)cc1	ir: 14 6 5 3 3 9 1 4 4 5 6 6 10 11 24 5 10 16 19 8 7 3 5 4 5 9 12 53 11 9 5 6 5 9 6 7 7 6 5 4 6 4 6 4 4 10 5 4 6 4 4 7 6 0 56 11 9 7 12 5 7 11 6 4 16 22 4 7 8 5 5 5 5 5 4 4 7 11 3 2 2 2 2 2 2 3 5 7 2 2 3 4 3 3 3 7 4 8 6 6 5 14 11 13 3 14 54 28 33 15 30 13 17 50 65 15 4 6 3 4 7 5 10 10 16 6 2 5 7 2 3 4 7 9 3 3 1 2 3 2 2 5 11 6 24 100 48 50 31 56 8 7 23 3 3 3 2 3 2 3 2 3 2 2 2 2 2 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 1 1 2 2 2 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 4 2 3 4 8 3 4 3 3 4 5 6 6 7 15 6 17 37 19 6 4 3 6 3 5 5 4 4 4 2 3 2 3 4 4 7 24 55 8 6 17 28 54 4 3 4 3 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 1 1 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2; 1HNMR: 72 72 m 2H \| 70 70 m 2H \| 52 52 m 1H \| 48 48 t 1H J 52 \| 35 34 m 2H \| 34 33 ddd 1H J 23 39 128 \| 32 32 m 1H \| 31 31 m 2H \| 31 30 d 1H J 57 \| 27 26 p 1H J 39 \| 16 15 p 2H J 60 \| 14 13 h 2H J 66 \| 10 9 t 3H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CCCC(C)CCCC(C)CC(=O)O	ir: 1 1 0 1 1 1 0 1 1 1 1 3 7 5 5 2 3 2 8 6 18 100 37 8 8 3 2 1 1 0 1 1 1 0 0 1 1 0 1 2 1 1 1 2 1 3 5 3 2 0 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 2 5 14 10 13 41 3 10 3 2 1 2 2 2 1 1 1 1 0 1 1 1 2 1 4 2 2 2 3 1 1 2 13 7 4 2 3 4 2 2 2 1 1 3 5 4 5 3 1 1 1 1 2 3 1 2 2 2 2 2 3 4 1 2 1 1 2 3 5 5 11 4 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 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 1 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 1 2 2 1 1 1 2 2 2 4 5 11 3 1 2 1 0 1 1 0 0 1 1 10 4 2 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 24 23 dd 1H J 82 161 \| 22 21 m 1H \| 20 19 tq 1H J 73 84 \| 16 11 m 13H \| 11 10 m 2H \| 10 10 d 3H J 72 \| 9 8 m 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(CCC(=O)c2ccc(C(F)(F)F)nc2Nc2ccccc2)cc1	ir: 5 5 4 5 5 7 11 6 6 5 7 3 2 3 4 21 17 5 6 3 2 3 4 5 9 5 3 3 4 4 5 3 8 10 11 3 2 6 6 7 7 17 19 17 31 44 32 10 16 8 5 7 10 20 16 18 6 9 5 1 4 3 3 1 3 4 6 7 7 7 4 4 3 4 3 5 23 5 5 4 3 2 2 2 3 2 2 6 5 8 4 6 4 3 3 3 9 16 18 20 5 5 2 3 3 15 15 10 8 5 3 3 5 5 0 49 13 4 6 4 5 4 5 5 4 7 4 4 3 2 2 3 2 7 6 8 4 3 4 3 14 25 31 26 20 25 15 5 3 20 17 7 8 13 12 18 100 16 5 6 17 5 12 47 13 5 4 4 3 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 3 2 2 3 3 3 2 4 9 12 4 29 93 37 12 8 2 4 6 3 2 3 4 2 1 3 4 3 3 3 5 8 4 9 12 43 42 38 18 16 6 7 4 2 3 3 3 2 2 3 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 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2; 1HNMR: 93 93 s 1H \| 80 80 d 1H J 110 \| 80 79 m 2H \| 77 76 m 2H \| 76 75 dq 1H J 20 110 \| 73 73 m 2H \| 72 72 dt 2H J 9 85 \| 69 68 tt 1H J 12 69 \| 39 39 s 2H \| 33 32 t 2H J 81 \| 30 29 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)ccn1	ir: 1 1 4 2 1 1 2 6 2 1 4 4 6 4 4 4 7 2 1 3 3 2 4 15 3 2 2 1 2 1 0 1 3 3 1 3 2 3 4 3 19 0 1 1 1 0 3 7 3 0 1 6 6 0 5 35 86 25 26 13 6 5 1 0 4 2 3 6 14 6 2 2 2 4 3 2 3 6 2 1 1 2 2 1 1 2 1 2 8 1 5 2 3 2 2 7 10 3 1 1 2 5 16 3 6 1 0 2 4 3 2 1 1 18 14 1 3 2 1 2 2 3 6 11 10 11 1 4 1 1 1 1 1 2 1 5 15 7 7 2 4 14 2 1 1 5 6 11 4 10 19 22 8 6 3 15 8 7 12 13 1 2 1 3 2 0 2 1 1 1 0 1 0 0 1 1 0 0 0 0 0 1 1 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 1 1 1 0 1 1 1 1 1 3 2 15 51 100 20 7 7 2 1 1 1 1 1 1 1 1 1 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 89 dd 1H J 17 41 \| 87 86 d 1H J 40 \| 84 83 t 1H J 22 \| 82 82 d 1H J 22 \| 81 80 m 2H \| 79 79 d 1H J 91 \| 79 78 m 2H \| 78 77 dq 1H J 19 99 \| 74 73 dd 1H J 41 83	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc(Br)cc(N)c1N	ir: 0 4 7 5 4 5 15 21 14 22 3 4 12 7 25 9 7 7 6 6 5 3 4 3 7 3 3 4 5 3 3 2 3 4 3 3 3 4 3 5 4 8 3 3 2 3 2 2 4 5 3 2 2 3 4 3 3 3 3 2 3 3 6 3 4 20 11 3 3 4 3 4 4 3 2 2 3 4 3 3 3 2 2 2 3 4 4 4 6 4 3 4 3 2 2 2 2 2 2 2 3 3 2 2 2 5 4 2 3 2 2 2 6 6 1 3 3 3 2 2 3 2 2 2 3 2 2 2 2 2 2 3 2 2 2 2 2 3 5 3 2 2 2 2 2 2 2 3 22 16 6 9 5 6 30 17 8 4 27 37 4 4 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 3 2 3 5 10 9 8 5 3 2 2 2 2 2 2 3 2 2 2 3 2 2 4 20 36 23 3 3 2 2 3 3 3 3 9 19 60 100 5 2 2 2 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 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 1 2 2; 1HNMR: 69 69 dt 1H J 9 20 \| 67 67 d 1H J 22 \| 48 48 s 2H \| 44 44 s 2H \| 26 25 qd 2H J 9 75 \| 13 12 t 3H J 75	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Nc1ccc(C(F)(F)F)cc1I	ir: 3 5 5 7 5 2 2 1 3 3 4 3 0 2 1 1 0 1 2 2 26 1 2 1 0 1 1 1 2 4 4 9 9 15 28 9 38 76 9 3 1 3 1 1 1 1 1 1 2 4 3 2 5 15 42 43 8 2 2 2 1 1 1 2 2 2 1 1 3 2 2 1 3 5 16 1 4 4 1 2 2 3 1 0 1 1 0 1 1 1 2 1 10 6 2 8 2 1 20 4 4 11 0 1 2 1 1 1 2 1 0 4 35 18 17 3 4 7 3 2 2 1 2 1 1 11 31 3 2 3 1 2 2 3 28 12 2 0 0 1 1 0 1 1 1 0 5 4 76 23 100 49 14 18 5 1 1 2 1 1 2 9 19 1 1 0 1 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 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 0 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 2 6 4 4 14 20 24 8 8 0 1 1 1 0 1 1 1 2 1 1 1 0 1 1 1 1 4 6 25 27 36 21 17 3 1 1 1 1 1 1 0 0 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0; 1HNMR: 81 81 dq 1H J 9 20 \| 77 76 ddt 1H J 15 35 71 \| 76 75 s 1H \| 75 74 d 1H J 71 \| 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.
Cc1cccc(C(=O)Nc2ccc(O)cc2)c1	ir: 6 4 2 3 7 4 7 5 13 7 8 13 8 11 4 6 4 5 2 3 4 4 8 5 12 5 3 4 4 3 3 4 4 2 5 12 6 6 9 47 89 36 10 9 14 11 7 12 8 5 11 10 9 6 14 24 13 5 12 10 4 0 4 5 3 1 3 8 4 13 4 7 4 0 3 5 3 4 9 10 33 13 11 14 12 2 8 5 4 19 31 12 23 6 7 4 2 2 6 5 2 3 5 10 26 7 4 6 2 3 4 3 1 3 4 2 0 3 4 2 2 3 6 4 4 10 10 11 3 3 4 2 2 3 3 2 1 4 4 4 35 7 18 26 3 5 26 46 15 67 37 21 18 18 22 6 4 4 3 1 2 4 4 6 3 4 2 0 2 4 2 0 2 4 2 1 2 4 2 0 2 3 1 1 2 3 2 1 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0 2 4 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 3 3 1 1 2 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 2 3 5 3 2 3 4 3 3 4 6 3 1 4 7 6 9 37 100 51 14 7 15 7 11 31 15 25 10 8 4 4 2 3 4 2 1 3 4 5 4 31 55 26 13 5 5 2 3 5 4 2 2 4 3 2 2 4 3 2 3 4 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 86 86 s 1H \| 79 78 t 1H J 21 \| 78 78 m 1H \| 77 77 s 1H \| 75 74 t 1H J 76 \| 74 74 m 1H \| 72 72 m 2H \| 68 68 m 2H \| 24 24 d 3H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCCCCCCC[C@H](CO)NC(=O)C(F)(F)F	ir: 0 1 2 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 2 0 0 0 0 0 1 0 1 0 0 0 0 0 0 1 1 1 2 5 6 9 13 4 1 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 1 0 2 1 0 0 1 0 1 1 1 0 0 1 1 1 2 1 5 3 2 1 1 1 0 6 1 1 1 0 0 1 5 1 2 2 1 2 2 3 3 1 2 2 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 6 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 2 1 1 2 1 2 1 1 1 2 1 1 2 5 3 4 1 1 2 1 1 1 4 13 28 100 10 11 3 1 2 1 1 1 1 1 1 1 2 4 4 4 16 9 1 2 1 1 1 1 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; 1HNMR: 70 70 dq 1H J 22 117 \| 38 37 m 2H \| 35 34 m 2H \| 16 15 m 1H \| 14 13 m 2H \| 14 12 m 27H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCN(c2ncc(Cl)cn2)CC1	ir: 2 2 2 2 2 2 4 6 9 3 5 5 15 4 7 5 4 4 4 3 2 2 3 5 3 3 5 6 8 2 3 3 5 3 5 7 24 29 4 5 4 3 2 3 5 2 2 2 2 1 1 2 3 3 3 5 9 4 4 4 2 2 2 2 2 5 5 2 5 5 2 5 6 2 2 2 1 2 1 2 2 2 3 2 2 1 2 3 2 2 3 2 1 2 2 2 3 4 2 2 3 2 3 3 5 4 3 4 3 6 13 5 3 6 3 2 3 5 3 8 2 5 7 16 12 11 15 7 4 6 9 4 3 4 4 4 4 6 24 6 3 4 8 4 25 72 6 3 3 4 4 19 2 3 4 0 3 100 34 6 3 0 1 3 2 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 2 2 3 3 5 2 3 3 3 2 2 2 5 11 6 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 82 s 2H \| 38 37 m 4H \| 30 29 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)N1CCN(C(=O)c2cc(Cl)c3[nH]c(C(=O)N4CCC(F)(F)CC4)cc3c2)CC1	ir: 6 11 23 41 11 7 12 30 12 15 11 6 8 12 6 5 5 7 8 10 10 16 13 13 4 9 19 32 19 12 62 20 7 13 11 18 23 9 26 27 10 36 27 13 22 5 9 5 8 6 4 3 7 4 5 4 12 7 12 12 6 5 4 4 9 8 28 26 31 18 16 14 13 5 5 7 9 8 4 3 5 8 79 43 14 12 12 9 11 16 8 12 19 12 4 4 8 7 29 67 6 13 21 10 18 9 20 68 0 11 9 15 32 22 17 13 8 14 31 15 22 7 14 41 56 37 25 24 18 39 30 18 17 22 13 29 22 10 6 5 6 8 11 17 28 9 13 35 8 14 55 55 26 5 3 4 6 6 26 6 3 2 3 8 2 3 3 2 2 3 3 2 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 2 2 3 2 2 3 3 2 3 3 3 3 2 3 3 3 2 3 3 2 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 3 3 3 3 3 2 3 3 2 2 3 3 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 6 4 5 5 5 9 16 17 11 8 8 6 5 11 19 100 45 17 44 24 44 28 6 6 6 4 3 4 4 3 3 3 4 5 3 3 3 3 3 4 4 5 6 20 44 61 16 5 11 5 4 4 3 3 4 3 3 3 3 3 3 2 3 3 3 2 2 3 3 2 3 3 2 2 2 3 3 3 3 3 3 2 2 3 3 3 2 3 2 2 2 2 2 2 3 2 2 2 2 3 2 2 2 3 2 2 3 2 2 2 2 2 2 3 3 3 2 2 2 3 3 3 3 3 2 2 3 2 2 3 3; 1HNMR: 84 83 t 1H J 22 \| 78 78 d 1H J 22 \| 72 71 d 1H J 22 \| 38 37 m 7H \| 35 34 ddd 2H J 45 55 114 \| 29 28 ddd 4H J 8 44 53 \| 29 27 m 1H \| 23 22 tt 4H J 63 142 \| 11 10 d 6H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)SCCN(S(=O)(=O)c2ccc(OCC#CCCN)cc2)C1C(=O)NO	ir: 9 4 4 4 6 2 3 3 2 4 2 2 6 5 4 10 10 3 2 2 2 2 4 4 1 5 3 2 5 3 8 6 4 4 5 5 1 2 2 2 2 6 3 3 6 4 4 3 3 3 3 2 4 6 25 20 7 9 4 1 3 2 2 2 8 8 5 5 4 3 2 3 7 9 16 12 8 8 24 4 8 7 10 20 9 9 4 1 5 4 31 2 11 18 28 8 6 7 2 9 16 10 7 4 3 2 0 3 1 4 2 2 1 1 1 2 2 3 7 10 2 4 3 4 3 4 3 2 2 3 4 10 6 10 8 7 3 2 1 1 1 1 1 3 5 9 9 12 9 33 10 2 2 1 1 1 1 0 1 1 2 2 0 1 0 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 2 2 1 2 2 1 1 1 1 0 2 2 1 12 8 7 13 38 6 2 3 3 2 3 5 10 18 3 2 2 6 9 6 7 4 2 3 7 9 7 100 17 4 2 1 0 1 2 1 1 2 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 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 88 88 d 1H J 31 \| 88 87 d 1H J 31 \| 77 76 m 2H \| 71 70 m 2H \| 48 47 t 2H J 25 \| 40 40 m 2H \| 39 38 ddd 1H J 47 73 122 \| 30 29 m 3H \| 27 26 ddd 1H J 46 73 119 \| 24 24 tt 2H J 25 58 \| 16 16 t 2H J 62 \| 13 13 dd 6H J 15 48	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NO)c1ncc(CNc2ccc(F)cc2)c(CO)c1O	ir: 7 14 4 20 16 23 21 31 6 13 7 7 8 4 6 12 11 13 8 17 11 8 12 9 15 10 17 8 16 9 14 19 16 21 10 47 14 20 23 13 10 7 14 2 7 10 8 3 3 5 5 6 2 7 16 31 11 7 7 3 4 2 2 2 2 2 3 3 5 14 9 5 6 3 5 3 3 1 3 2 2 4 6 8 6 6 6 21 23 45 19 14 29 100 38 19 13 15 54 27 14 8 9 12 15 15 5 2 4 6 45 36 34 6 1 3 4 4 4 7 4 6 6 5 6 5 11 9 5 2 0 1 4 6 3 2 2 4 3 5 7 5 3 4 20 12 5 13 7 44 18 11 14 4 7 3 3 1 1 3 1 1 2 6 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 2 1 1 2 1 0 1 3 2 1 1 2 2 1 2 2 3 3 7 9 10 17 22 19 28 88 59 27 13 51 34 13 12 6 4 2 2 4 3 4 4 5 5 6 17 74 72 23 9 6 9 4 1 1 2 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 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 93 92 d 1H J 40 \| 83 83 t 1H J 9 \| 70 69 m 5H \| 56 55 t 1H J 64 \| 50 50 d 2H J 58 \| 49 48 m 1H \| 47 46 dd 2H J 9 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSC(=NC#N)N1CCN(C2c3ccc(Cl)cc3SCc3cccnc32)CC1	ir: 2 3 4 12 3 13 6 3 6 4 4 8 10 5 7 10 10 10 8 12 4 7 3 4 2 3 9 11 5 4 1 2 5 3 5 6 26 2 4 8 4 7 4 7 3 7 13 4 8 10 4 2 7 4 17 1 13 4 13 17 2 1 24 11 4 6 100 16 5 3 2 2 1 1 3 1 1 3 1 3 23 7 24 3 27 2 7 22 6 2 4 1 9 1 5 2 2 2 5 12 20 9 4 4 0 2 3 4 5 15 45 12 6 8 12 14 22 21 8 6 1 2 4 3 3 5 10 7 3 5 5 1 3 5 3 3 12 2 13 37 3 3 7 18 7 9 43 1 15 3 2 2 10 4 37 6 7 1 1 1 3 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 1 17 2 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 2 1 0 0 1 1 2 2 2 4 5 2 1 2 2 3 6 31 4 16 58 21 14 4 3 1 1 1 1 1 0 1 1 1 0 1 1 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 dd 1H J 20 48 \| 76 76 ddt 1H J 9 20 76 \| 73 73 m 2H \| 73 72 dd 1H J 47 76 \| 72 71 d 1H J 19 \| 52 51 d 1H J 6 \| 43 42 m 2H \| 38 37 m 4H \| 33 32 ddd 2H J 33 53 115 \| 32 31 ddd 2H J 33 51 115 \| 26 25 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCCc1ccc(-c2noc(-c3ccc(OC(C)C)c(Cl)c3)n2)c2cc[nH]c12	ir: 11 7 5 3 0 2 1 3 5 3 1 3 3 4 5 5 9 13 5 14 14 12 16 30 5 9 17 34 6 3 2 1 1 4 13 6 3 12 3 2 1 1 1 1 1 4 3 2 2 2 2 1 2 8 36 53 2 6 1 2 1 3 2 2 1 2 1 7 6 2 1 2 1 5 8 1 2 6 3 6 14 19 8 3 6 2 2 1 1 1 1 5 3 2 3 8 3 5 7 16 14 4 4 19 7 4 3 4 13 3 2 7 6 15 8 5 7 5 11 4 8 10 9 8 12 11 23 10 24 14 28 16 11 4 1 2 3 2 4 4 19 19 13 19 33 10 6 4 5 5 20 2 7 10 8 3 1 4 1 1 1 6 4 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 1 1 1 0 0 1 0 1 0 0 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 2 3 3 3 4 5 3 6 6 2 3 5 3 4 7 14 22 18 24 100 43 12 26 19 5 3 2 1 1 1 2 1 2 1 1 1 1 2 1 1 1 5 2 10 9 26 25 19 5 2 2 2 1 1 1 1 1 1 0 1 0 1 0 0 0 1 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; 1HNMR: 91 91 d 1H J 66 \| 80 79 d 1H J 21 \| 78 78 dd 1H J 22 90 \| 78 77 d 1H J 90 \| 72 72 dt 1H J 8 90 \| 72 71 m 2H \| 71 71 d 1H J 37 \| 47 45 hept 1H J 55 \| 42 41 q 2H J 66 \| 29 29 td 2H J 9 81 \| 25 24 t 2H J 86 \| 20 19 p 2H J 84 \| 14 13 d 6H J 57 \| 13 12 t 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCCC(=O)OCC(S)CS	ir: 8 7 7 9 14 13 11 18 23 9 6 5 10 6 4 6 7 5 3 5 6 4 4 6 10 4 4 5 6 4 5 9 9 9 5 8 6 11 11 8 15 19 16 44 37 14 15 21 9 10 11 8 9 5 5 8 6 5 7 7 4 2 4 6 5 4 11 9 5 4 7 6 6 2 4 6 3 3 4 5 3 2 4 5 3 3 5 4 4 5 6 6 4 4 6 5 3 5 8 9 13 19 31 25 26 14 13 7 5 6 7 9 6 28 9 16 7 10 13 17 19 17 23 14 9 8 9 5 5 8 7 5 4 6 7 3 3 5 6 3 3 8 7 0 100 65 12 6 5 4 4 3 4 4 4 3 3 4 4 3 3 4 4 3 3 4 4 2 3 5 4 2 4 5 3 2 3 4 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 5 4 2 3 5 4 2 4 5 4 3 5 5 5 3 4 5 4 2 4 5 4 3 4 5 3 3 5 5 3 3 5 7 6 19 51 84 11 6 6 6 3 3 5 5 3 4 4 4 3 4 5 4 4 6 6 11 9 10 11 15 10 10 12 12 11 14 16 47 11 8 4 4 4 4 5 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 5 4 2 3 4 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3; 1HNMR: 44 43 dd 1H J 41 100 \| 41 41 dd 1H J 42 101 \| 31 30 dddd 1H J 41 49 68 90 \| 30 29 ddd 1H J 49 62 110 \| 27 26 ddd 1H J 49 62 109 \| 23 23 t 2H J 85 \| 22 22 d 1H J 70 \| 20 19 t 1H J 62 \| 16 15 tt 2H J 74 85 \| 13 12 m 16H \| 9 9 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)OC(=O)Nc2ccc(OCCCCCS(=O)c3ccc(Cl)c(Cl)c3)cc21	ir: 2 2 1 3 6 2 1 5 11 3 1 2 1 1 1 3 5 2 3 2 2 2 2 2 6 14 33 46 10 1 1 2 2 1 2 2 2 11 3 1 1 0 1 1 2 1 1 1 1 0 1 3 3 12 29 25 3 0 1 2 2 1 2 2 2 6 17 7 8 3 3 2 1 0 0 1 1 1 2 1 1 0 0 1 0 0 1 1 2 1 3 14 1 2 3 2 1 1 1 4 5 4 4 12 5 2 3 1 1 4 1 3 3 2 2 2 3 4 18 5 9 3 2 2 3 5 4 3 3 7 3 6 2 1 1 0 0 2 1 0 0 1 2 6 1 2 6 2 0 2 9 1 1 4 6 29 100 6 2 2 2 1 3 5 2 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 2 1 1 2 2 3 3 1 1 2 1 1 3 10 17 4 11 30 13 2 2 2 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 3 1 2 8 15 19 5 1 1 0 1 2 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 92 92 s 1H \| 77 77 d 1H J 21 \| 76 76 dd 1H J 22 88 \| 76 75 d 1H J 88 \| 74 74 m 1H \| 69 68 m 2H \| 40 40 t 2H J 63 \| 30 29 t 2H J 83 \| 19 18 tt 2H J 67 83 \| 18 18 s 5H \| 18 17 q 2H J 65 \| 16 15 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1Cn2ncc(N3CC(N4CCOC4=O)CC3=O)c2CN1C(=O)OC(C)(C)C	ir: 4 2 1 0 1 0 0 4 1 3 1 1 0 3 8 1 1 4 2 1 1 3 3 2 1 1 1 1 17 1 1 2 1 1 1 2 3 5 8 34 27 14 2 1 1 0 1 5 2 1 1 2 0 0 1 4 3 2 1 2 2 3 1 1 0 1 1 2 2 0 1 0 1 2 2 1 0 0 1 1 1 0 0 0 2 2 1 1 2 3 2 2 0 3 6 5 2 1 4 10 1 1 1 1 3 2 1 1 5 3 5 4 9 4 1 4 1 3 5 7 5 7 5 12 8 5 2 14 7 3 19 5 2 3 11 7 5 1 1 1 2 1 0 0 0 0 1 2 6 4 25 100 3 8 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 1 2 1 1 1 1 3 2 2 2 1 2 4 3 3 16 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 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 s 1H \| 50 49 d 1H J 157 \| 48 47 d 1H J 157 \| 45 45 dd 1H J 43 109 \| 43 41 m 7H \| 39 38 dd 1H J 53 127 \| 37 37 ddd 1H J 36 51 124 \| 36 35 ddd 1H J 36 50 124 \| 30 29 dd 1H J 55 143 \| 27 26 dd 1H J 54 144 \| 15 14 s 8H \| 14 13 d 3H J 79	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@H](N)C(=O)NCC(C)C	ir: 0 2 3 2 3 1 3 3 2 2 3 2 1 3 2 2 0 3 2 1 1 4 2 2 2 2 1 1 1 2 5 4 4 2 4 17 12 29 6 7 5 4 5 7 7 4 7 9 3 6 4 1 5 6 5 7 6 5 7 13 17 12 17 27 10 10 7 5 4 7 7 14 6 7 3 3 8 11 9 15 16 14 4 3 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 1 2 2 1 1 4 4 2 5 6 6 4 4 3 3 2 5 8 7 4 3 5 3 7 11 10 8 3 5 3 7 3 20 49 41 38 12 4 2 3 3 3 4 3 10 18 28 19 20 5 1 2 3 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 0 0 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 2 1 2 3 2 2 2 4 2 3 3 2 5 6 9 5 2 1 2 2 1 1 1 2 1 1 2 2 2 5 10 25 52 29 10 7 10 17 39 100 95 43 31 19 7 2 3 3 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 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 1 1 0 1 2 1 0 1 2; 1HNMR: 63 62 t 1H J 62 \| 47 47 d 2H J 65 \| 37 36 ttq 1H J 15 46 61 \| 32 31 m 2H \| 19 17 m 2H \| 16 15 m 1H \| 10 9 td 3H J 15 70 \| 9 9 dd 6H J 31 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(C(O)(c2nc(C)c(C)s2)C(F)(F)F)sc1C	ir: 2 6 2 1 1 2 3 2 1 4 2 8 23 6 3 3 5 15 3 2 2 2 2 2 7 12 2 1 1 3 8 4 13 1 4 8 5 2 3 2 1 1 1 1 1 2 2 1 1 2 3 5 8 15 12 67 13 11 33 17 7 12 10 4 12 12 7 5 2 5 5 7 4 3 5 5 3 3 5 6 2 3 4 10 11 5 2 3 2 6 9 86 18 11 7 3 2 4 7 2 30 3 7 34 6 2 1 3 6 3 7 5 5 4 6 8 28 15 9 6 23 3 5 29 7 2 3 3 9 11 7 5 3 2 2 12 14 3 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 2 2 1 2 7 15 9 5 3 5 4 12 6 6 10 5 11 16 23 27 9 4 5 6 3 2 5 5 6 6 9 100 2 4 2 0 2 1 2 1 1 1 1 1 1 1 1 1 1 2 3 5 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 44 43 q 1H J 33 \| 24 24 s 6H \| 23 23 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC(=N)NC(=O)Nc1cccc(Cl)c1	ir: 0 0 1 1 1 0 0 1 1 1 1 1 2 3 1 1 0 0 0 0 0 0 1 1 1 1 1 1 2 8 3 4 32 14 3 2 1 1 1 3 6 8 8 20 17 4 3 13 31 6 2 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 11 6 3 1 1 1 1 1 1 0 2 1 1 38 3 1 2 1 1 0 0 1 3 1 0 0 0 0 0 0 1 0 1 2 3 2 1 2 10 7 3 2 1 2 3 2 0 1 1 1 1 1 2 2 1 1 1 0 0 1 2 2 0 0 1 0 2 3 1 0 0 1 1 3 11 4 1 1 2 15 2 0 1 1 7 3 7 55 14 11 4 1 1 1 1 9 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 1 1 1 4 2 2 5 32 10 1 1 1 0 1 1 1 0 1 1 1 0 0 3 100 40 3 1 1 1 7 5 12 26 9 3 2 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 91 s 1H \| 87 87 s 1H \| 85 84 s 1H \| 77 77 t 1H J 22 \| 74 74 ddd 1H J 13 22 82 \| 73 72 t 1H J 80 \| 70 70 ddd 1H J 12 22 77 \| 24 24 t 2H J 73 \| 16 15 ddd 2H J 63 72 137 \| 14 13 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.
Cc1nccnc1NCCN1CC[C@H](CO)[C@H](O)C1	ir: 1 3 3 2 5 4 1 2 1 1 3 12 1 1 2 1 9 2 1 1 0 1 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 3 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 0 1 1 1 1 0 1 1 3 1 1 1 2 11 2 7 6 3 4 1 1 0 1 0 1 0 1 0 0 1 1 1 0 0 1 1 1 0 1 0 0 0 0 0 0 1 0 0 0 0 1 1 1 1 3 3 5 2 2 0 9 1 3 2 2 1 1 3 1 0 0 0 0 0 1 1 1 0 0 1 11 1 0 0 0 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 3 4 2 8 100 17 8 2 0 1 2 1 0 2 1 1 0 1 2 3 5 6 4 2 1 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 d 1H J 35 \| 79 79 d 1H J 33 \| 68 68 t 1H J 47 \| 39 39 dtd 1H J 20 48 60 \| 38 37 dt 1H J 57 115 \| 37 37 td 2H J 46 59 \| 36 35 dt 1H J 58 114 \| 32 32 t 1H J 56 \| 31 30 d 1H J 60 \| 30 28 m 5H \| 27 27 dd 1H J 49 116 \| 24 23 s 2H \| 19 18 dddd 1H J 60 70 86 123 \| 18 17 dtt 1H J 45 60 71 \| 16 15 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C(=O)c2c(nn(CC3CCOCC3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12	ir: 2 3 5 4 8 5 10 9 9 6 7 5 4 6 3 5 5 9 19 17 6 6 22 20 38 72 27 13 15 4 9 6 12 6 6 7 8 12 6 6 9 9 17 11 3 3 4 9 10 41 88 32 11 7 2 0 5 3 2 1 2 8 3 3 5 9 3 5 6 4 3 4 2 3 6 5 3 11 9 3 5 3 2 3 2 2 2 4 4 3 3 3 7 7 3 4 1 2 2 3 4 3 4 5 6 11 40 7 8 5 7 6 3 4 6 7 5 7 4 3 4 4 4 5 3 3 3 4 4 4 7 9 8 11 24 12 5 5 17 18 4 6 6 25 47 14 5 1 2 3 18 27 20 17 5 6 64 9 9 65 2 5 9 100 26 5 2 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 2 3 2 4 4 3 4 4 4 5 3 8 27 5 11 22 41 14 5 4 2 1 2 1 1 1 1 2 1 2 2 3 2 3 4 6 11 42 34 46 38 12 17 15 11 5 3 3 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 89 88 s 1H \| 76 75 m 2H \| 73 73 m 2H \| 69 68 tt 1H J 12 70 \| 46 45 tdt 1H J 13 32 52 \| 44 44 d 2H J 46 \| 43 43 ttd 1H J 18 33 53 \| 37 37 ddd 2H J 27 54 111 \| 35 34 ddd 2H J 26 53 110 \| 35 34 s 3H \| 22 20 m 2H \| 20 19 m 1H \| 19 18 m 4H \| 18 17 m 2H \| 17 16 dddd 2H J 26 53 63 131	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(O)c(N2CCCCC2)c(C2CC2)c1	ir: 3 3 2 3 3 1 1 2 2 2 3 7 6 2 3 4 6 5 8 8 3 8 4 13 38 24 6 2 2 3 2 2 1 1 2 1 1 2 3 2 2 5 3 1 2 1 1 1 2 1 2 1 1 1 2 1 2 2 1 1 1 3 3 2 1 1 2 6 10 6 2 1 2 4 3 2 3 4 7 13 4 25 7 4 12 5 2 2 3 7 5 2 5 6 7 4 3 7 3 2 1 1 1 1 3 7 4 2 5 17 3 6 5 5 2 2 1 1 3 4 2 1 1 2 2 1 3 2 2 2 2 2 1 0 1 1 1 1 0 1 1 1 5 13 28 9 8 8 2 3 2 2 1 1 1 1 1 0 1 1 0 0 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 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 1 0 0 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 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 4 3 2 11 3 10 20 4 2 6 3 2 3 3 44 100 4 3 2 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 91 s 1H \| 76 75 dd 1H J 7 22 \| 73 72 d 1H J 22 \| 44 44 q 2H J 64 \| 34 34 t 4H J 48 \| 29 28 m 1H \| 18 17 m 4H \| 17 15 m 2H \| 14 14 t 3H J 64 \| 11 11 m 2H \| 9 8 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCC1(O)OC[C@@H](O)[C@@H](O)[C@H]1O	ir: 1 1 2 4 8 7 1 5 4 2 4 4 4 7 2 4 3 1 4 4 2 2 2 2 3 2 1 1 1 1 2 1 2 0 1 0 1 1 0 0 1 0 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0 0 0 1 1 0 1 0 0 0 1 1 0 0 0 1 1 3 7 1 1 1 2 2 4 7 9 4 12 13 5 3 5 15 4 9 2 1 1 1 1 0 0 1 2 6 3 1 0 0 0 1 2 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 2 2 1 1 1 1 0 1 1 4 24 75 60 100 47 2 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 44 44 t 1H J 63 \| 42 42 s 1H \| 42 41 d 1H J 58 \| 41 41 d 1H J 63 \| 40 39 dd 1H J 51 117 \| 39 38 m 2H \| 38 37 m 4H \| 37 36 dd 1H J 62 121	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCOc1cc(CO)cc(C2CC2)c1-c1ccc(F)cc1	ir: 4 2 1 3 2 2 2 2 2 1 1 2 4 1 0 1 2 1 0 3 4 2 0 2 2 2 1 2 2 4 3 1 1 0 2 3 2 3 5 3 1 4 7 4 4 1 1 5 3 1 2 3 3 47 15 22 4 0 3 3 3 8 3 2 3 1 4 14 33 9 6 4 4 5 2 2 1 4 2 2 3 5 10 4 9 100 47 4 14 14 5 7 3 9 19 4 4 3 2 2 0 3 2 1 1 1 2 1 2 6 3 3 1 2 2 2 1 2 4 3 1 3 3 5 2 5 5 2 2 1 2 1 1 1 1 6 19 2 2 1 0 1 2 0 0 2 4 4 20 3 6 31 3 2 1 1 4 2 2 3 4 1 1 17 1 1 1 1 1 1 0 0 0 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 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 4 3 4 9 1 4 7 4 8 12 10 23 96 10 9 8 8 5 4 9 61 23 16 3 3 1 1 1 1 1 1 1 1 2 1 2 2 3 2 3 2 2 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 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 74 74 m 2H \| 72 72 m 2H \| 71 70 dq 1H J 8 18 \| 69 68 dt 1H J 9 20 \| 45 45 dt 2H J 9 56 \| 41 40 t 2H J 53 \| 30 30 m 2H \| 18 17 qt 2H J 53 78 \| 11 10 m 5H \| 9 8 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(NC2CCC3(CC2)OCC(C)(C)CO3)ccnc1C	ir: 8 8 7 8 5 13 4 7 8 14 21 25 22 9 16 18 11 22 7 23 16 13 14 7 13 4 3 10 12 7 8 4 6 12 5 8 9 2 10 16 6 3 4 5 6 16 20 6 3 0 2 4 4 1 3 5 5 2 4 6 4 2 11 33 9 3 9 12 8 11 12 9 12 16 14 6 4 2 5 4 2 3 9 5 2 1 6 5 5 7 21 12 5 3 8 5 2 4 10 21 14 4 6 6 2 5 7 7 38 23 41 9 18 7 9 10 6 6 10 16 18 12 14 12 7 23 7 14 13 29 13 6 11 8 4 3 17 9 5 1 2 3 4 5 3 4 5 1 3 18 4 4 70 13 7 1 2 5 6 23 91 10 5 2 2 4 2 0 2 4 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 3 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 3 1 6 5 4 2 3 13 4 6 4 6 6 2 8 15 20 19 8 15 29 5 3 5 2 1 2 3 2 1 2 3 2 3 4 3 3 5 3 4 17 11 11 22 100 62 20 8 5 4 4 3 2 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0; 1HNMR: 81 81 d 1H J 42 \| 66 65 d 1H J 44 \| 62 62 d 1H J 71 \| 39 39 s 3H \| 37 36 m 1H \| 35 34 s 3H \| 23 23 s 3H \| 19 18 m 3H \| 18 17 m 3H \| 18 17 m 1H \| 16 15 m 3H \| 10 9 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(CN1CCC(Nc2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1	ir: 3 2 1 3 0 2 1 1 1 0 2 1 1 2 4 14 1 1 2 1 0 2 5 5 7 7 2 2 1 1 1 1 0 1 3 16 2 2 1 1 6 5 8 100 7 0 1 1 2 0 0 2 1 5 8 2 1 0 2 2 0 0 0 0 1 0 0 1 1 3 0 1 3 4 1 1 1 0 1 5 4 4 2 3 2 11 4 2 1 0 1 1 1 2 1 1 1 1 6 3 2 12 1 1 3 2 2 1 2 2 3 4 2 8 6 4 1 1 1 1 1 1 1 1 4 3 9 2 2 1 2 1 1 1 1 2 13 1 1 1 1 1 8 11 5 11 15 39 2 1 1 3 4 32 7 11 4 1 2 34 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 0 0 0 0 0 0 1 1 1 1 1 1 0 1 1 2 2 8 2 3 7 7 1 4 6 5 1 1 1 1 0 0 1 0 0 1 0 1 1 1 1 1 2 7 19 28 23 13 9 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 s 1H \| 75 75 dt 2H J 16 77 \| 75 74 m 2H \| 73 72 d 1H J 73 \| 72 71 dd 1H J 53 64 \| 69 69 d 1H J 53 \| 40 39 dp 1H J 48 73 \| 34 33 t 2H J 128 \| 31 30 ddd 2H J 51 77 128 \| 29 28 ddd 2H J 51 77 127 \| 22 21 ddt 1H J 49 77 126 \| 21 19 dddt 2H J 49 77 128 372 \| 19 18 ddt 1H J 49 79 127	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(C1CCC1)N1CCNCC1	ir: 1 1 2 1 2 2 2 1 1 2 2 1 2 3 2 3 26 15 1 3 1 1 2 2 8 9 4 3 2 2 9 13 11 5 3 1 2 2 1 1 1 3 8 8 9 7 9 3 11 38 27 2 3 7 7 5 4 4 9 3 7 2 2 1 1 2 3 3 7 4 4 11 15 4 1 1 2 2 1 2 4 4 2 1 2 3 2 2 2 1 0 1 2 2 1 4 2 3 1 2 3 5 3 5 7 7 4 9 6 9 3 3 17 17 37 31 27 12 13 6 7 10 9 6 6 2 5 16 18 6 4 6 9 6 3 5 6 4 2 2 3 3 1 2 3 5 24 17 23 1 2 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 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 1 1 2 2 2 1 2 5 4 5 2 2 4 2 4 7 5 4 2 2 1 1 1 2 1 1 1 1 1 1 2 2 2 2 3 18 32 100 30 4 3 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 36 35 m 4H \| 29 29 m 4H \| 25 25 m 1H \| 22 21 p 1H J 35 \| 21 20 m 2H \| 18 17 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)C1CCN(Cc2ccccc2)CC1	ir: 1 2 3 7 3 2 7 3 5 4 2 13 12 21 47 49 13 26 23 9 23 9 7 4 2 3 4 1 7 19 33 19 94 48 37 18 18 12 16 11 100 31 7 4 5 17 5 2 2 3 3 6 3 2 4 1 3 2 3 2 2 2 2 4 4 3 5 2 16 10 1 2 3 8 7 3 31 3 13 6 4 14 31 5 17 11 1 6 6 16 10 5 4 4 5 8 4 23 6 13 11 5 2 3 2 6 9 8 1 5 4 1 35 22 5 7 4 2 2 4 4 3 4 3 3 4 3 4 3 2 3 9 4 6 15 32 5 2 1 5 3 2 19 15 36 41 68 13 7 2 1 10 7 4 2 6 11 32 20 15 6 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 2 1 1 1 1 0 1 2 1 1 1 1 1 1 1 3 2 2 2 9 3 1 3 4 3 7 15 20 49 51 27 18 4 5 1 3 3 1 2 3 1 0 1 2 3 7 7 28 4 6 2 1 1 1 1 1 1 3 5 33 47 4 2 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 73 72 m 5H \| 64 63 s 2H \| 35 35 d 2H J 8 \| 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.
CC(=NOCCO)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)nc1	ir: 11 3 8 9 6 6 3 11 8 8 6 15 4 19 9 13 14 5 5 3 2 2 2 3 8 2 2 2 2 2 2 3 19 4 4 16 54 11 4 3 1 2 2 1 2 2 2 3 2 1 1 3 20 47 88 35 13 4 4 5 2 4 4 51 29 6 6 8 6 13 11 5 2 1 3 4 7 8 5 8 4 25 18 56 50 70 46 75 65 10 4 7 24 100 25 8 3 3 2 4 4 2 2 1 1 1 1 1 1 2 2 5 5 4 4 2 4 6 9 10 17 7 7 12 40 24 10 6 6 6 18 5 4 2 1 3 5 5 11 68 5 7 13 9 3 3 5 11 8 14 6 14 36 18 5 3 2 2 1 2 3 6 30 2 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 2 2 2 1 1 1 2 1 1 3 2 1 2 3 3 1 5 5 3 4 5 6 12 19 27 36 32 6 7 4 4 5 6 20 21 5 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 85 84 d 1H J 19 \| 77 77 dd 1H J 20 71 \| 76 76 m 2H \| 74 73 m 2H \| 72 72 d 1H J 71 \| 42 41 m 2H \| 41 40 td 2H J 7 48 \| 35 35 s 3H \| 30 29 t 1H J 56 \| 25 24 s 3H \| 24 24 d 3H J 9	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)Sc2ccccc2C=C1C(=O)O	ir: 1 2 2 2 1 2 2 2 1 2 2 2 16 4 17 5 2 2 2 2 2 2 11 100 57 5 3 9 3 2 2 5 2 3 2 4 3 2 2 1 2 34 13 6 2 0 3 3 2 1 2 2 2 1 1 2 2 1 2 3 2 1 2 2 2 1 2 2 6 3 2 8 2 4 9 3 1 3 56 0 2 6 2 1 3 4 1 2 2 3 3 5 2 4 1 2 2 3 2 2 4 2 1 1 2 1 1 2 2 1 1 3 2 1 1 2 2 2 19 7 5 4 3 4 2 2 3 2 2 3 7 3 2 1 1 4 83 4 3 2 11 4 5 7 13 12 2 1 54 2 2 2 1 2 3 12 1 2 2 1 1 2 2 1 3 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 3 2 1 1 2 1 1 2 2 2 2 3 9 5 9 6 80 10 4 2 1 2 2 1 1 4 38 2 1 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 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; 1HNMR: 78 78 s 1H \| 75 74 m 4H \| 74 73 m 1H \| 16 16 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ncn(-c2c(F)cccc2C#N)c1CN(C)C	ir: 10 1 0 1 2 1 0 1 1 1 0 1 1 0 1 0 1 0 0 1 2 2 0 1 0 0 0 1 2 0 0 1 1 0 0 1 1 0 2 7 3 13 10 3 4 1 1 4 2 100 63 2 1 2 1 1 1 0 1 1 2 1 1 8 8 6 5 2 4 2 0 0 1 2 13 8 0 1 2 6 2 1 1 1 1 2 2 1 2 0 3 3 6 1 1 0 1 1 1 10 20 1 1 1 3 0 1 1 2 1 0 1 1 0 1 1 2 6 4 7 4 6 9 2 2 1 2 2 3 1 7 2 4 7 3 2 4 2 6 6 2 2 1 1 1 1 1 1 0 1 0 0 0 0 1 5 6 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 5 3 1 2 1 2 4 5 2 2 3 5 8 24 34 4 13 25 16 16 4 2 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 81 s 1H \| 76 76 dd 1H J 12 55 \| 74 74 dt 1H J 53 62 \| 73 73 ddd 1H J 11 62 101 \| 41 40 s 2H \| 24 23 s 6H \| 23 23 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cccnc1-c1ccc2[nH]nc(Nc3nccs3)c2c1	ir: 1 2 3 8 19 14 10 4 4 5 3 2 3 4 8 14 10 5 6 2 5 4 1 1 1 1 1 1 2 2 3 3 2 1 1 3 15 9 4 7 3 3 3 2 1 2 2 1 1 3 3 3 2 2 3 4 5 3 1 1 2 4 11 5 1 1 1 2 2 1 1 1 1 1 1 1 3 3 1 1 1 1 1 1 1 1 2 1 10 4 2 1 1 1 1 1 1 1 2 7 1 1 1 2 6 3 3 6 2 1 4 2 1 2 1 1 1 1 1 1 2 1 3 4 1 1 1 1 1 1 8 9 1 1 1 1 1 3 2 1 1 1 3 2 13 10 7 14 3 0 4 17 4 7 18 9 2 2 1 14 14 3 2 1 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 4 1 3 6 6 17 12 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 6 2 2 2 2 6 8 2 9 5 2 18 100 3 4 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 84 83 m 2H \| 79 78 dd 1H J 24 97 \| 78 78 s 1H \| 76 76 d 1H J 97 \| 73 72 dd 1H J 44 77 \| 72 72 m 2H \| 67 66 d 1H J 44 \| 48 48 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OCc1ccccc1)C(N)=O	ir: 9 13 9 4 1 4 5 2 3 5 4 5 5 4 13 5 13 16 37 14 4 4 3 8 4 3 4 6 6 15 17 22 37 75 20 25 23 35 71 99 47 26 5 5 7 7 5 2 4 3 2 10 2 1 8 6 12 6 6 9 4 1 1 4 4 18 9 6 3 16 7 3 3 1 1 3 13 9 4 3 1 3 2 1 1 2 2 2 24 12 4 3 5 3 8 2 3 7 14 5 2 1 2 1 1 3 1 2 3 3 6 4 3 4 2 5 4 7 2 6 12 9 22 31 8 7 5 3 7 3 3 5 1 6 8 16 4 8 5 10 8 28 51 100 51 21 28 33 56 31 8 10 8 3 2 1 2 28 9 5 1 1 1 2 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 1 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 1 1 0 0 0 0 1 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 1 1 0 1 1 0 0 1 1 1 1 1 1 2 2 2 3 2 1 2 4 4 11 10 36 16 55 31 18 10 5 2 2 3 2 1 0 1 3 1 2 3 6 7 5 3 4 2 4 12 29 28 20 15 4 1 87 9 5 4 1 0 1 1 0 0 0 0 0 0 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 d 1H J 82 \| 74 74 m 2H \| 74 73 m 9H \| 71 71 dq 2H J 9 84 \| 69 68 m 2H \| 67 67 s 2H \| 62 62 d 1H J 84 \| 51 51 s 2H \| 51 50 d 2H J 10 \| 45 44 dt 1H J 62 86 \| 42 42 dq 1H J 56 82 \| 30 29 ddt 1H J 9 64 141 \| 27 27 ddt 1H J 9 64 141 \| 13 13 d 3H J 55	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(Sc2ccc(Cl)nc2)n(-c2cc(F)ccc2F)n1	ir: 1 1 3 1 2 1 4 12 6 3 1 1 2 1 1 1 1 1 2 2 1 1 1 1 1 1 6 3 1 2 2 1 1 3 19 12 2 5 1 2 1 1 1 2 2 1 1 1 1 1 1 2 6 16 25 9 2 5 2 2 1 1 1 3 1 5 2 6 14 14 3 2 6 5 7 5 2 1 2 1 1 1 1 8 2 2 3 8 1 2 16 2 2 1 1 1 1 1 1 1 1 2 2 1 6 1 2 3 1 1 2 2 4 4 6 4 3 3 4 3 1 2 9 1 1 1 1 2 3 6 3 57 0 2 1 1 2 1 1 2 3 8 2 3 5 2 4 18 12 16 4 1 1 2 2 1 4 15 3 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5 4 8 100 23 13 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 85 85 d 1H J 20 \| 75 75 dd 1H J 19 76 \| 74 73 m 2H \| 73 72 m 1H \| 72 72 m 2H \| 44 44 q 2H J 64 \| 14 13 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccn2nc(N)nc12	ir: 5 2 1 2 4 2 0 2 4 2 1 4 4 9 10 3 6 8 8 5 4 3 2 3 3 1 2 3 3 2 2 3 3 1 1 3 3 1 3 4 5 4 45 8 10 3 2 4 3 1 3 6 13 72 30 34 30 20 8 8 7 3 22 77 59 60 72 29 7 3 5 5 14 42 26 18 15 4 8 6 4 2 4 4 7 8 9 7 20 38 31 17 19 30 4 2 7 9 5 6 4 3 3 3 3 9 6 4 2 2 3 2 2 3 6 8 8 12 6 14 49 31 16 8 4 9 92 100 31 21 6 3 7 21 47 15 7 6 7 3 2 6 38 6 3 12 87 91 12 4 4 2 3 3 2 1 2 3 2 1 1 3 2 0 6 27 14 3 3 3 2 9 5 3 2 1 2 3 2 1 2 2 2 1 2 3 1 1 3 3 2 1 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 2 2 3 3 2 2 2 2 1 2 3 5 4 7 4 2 1 3 4 4 3 4 5 7 31 37 25 61 17 41 64 39 30 14 13 7 2 4 4 3 4 6 11 10 15 37 49 14 15 11 8 26 43 83 11 7 2 3 3 2 2 4 3 1 2 3 3 2 2 3 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1; 1HNMR: 90 90 dd 1H J 13 77 \| 74 73 dd 1H J 79 86 \| 72 71 dd 1H J 13 86 \| 62 62 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.
CC1Cc2ccc(Br)cc2CN1c1cc(Cl)nc(N)n1	ir: 1 2 2 2 3 2 1 2 2 1 2 2 1 2 3 2 3 2 2 2 2 2 2 3 2 1 1 1 1 1 1 2 2 1 4 6 10 12 5 9 2 4 3 5 2 2 2 1 2 1 2 1 1 4 16 3 3 1 2 2 2 2 2 1 4 4 4 3 2 2 1 1 1 2 2 2 2 5 2 1 1 2 1 1 1 1 1 2 1 1 1 3 5 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 2 2 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 2 2 2 7 6 10 35 22 33 3 3 4 2 2 2 1 2 1 3 3 6 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 13 6 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 7 5 1 1 1 1 0 0 2 2 0 2 100 0 3 2 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 73 m 2H \| 71 70 m 1H \| 64 63 s 2H \| 60 59 s 1H \| 50 49 dd 1H J 8 151 \| 49 48 dd 1H J 8 151 \| 40 39 h 1H J 68 \| 32 31 ddd 1H J 9 68 137 \| 28 28 ddd 1H J 10 68 137 \| 13 13 d 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1cnccc1CC1Cc2cc(C)ccc2C1=O	ir: 6 5 2 5 4 5 3 10 14 5 9 11 10 11 15 12 13 8 23 23 27 19 47 36 19 10 11 6 5 2 2 5 9 21 3 11 15 21 9 12 6 4 2 11 3 2 2 6 6 4 5 8 12 41 17 7 9 0 4 5 3 1 3 9 9 6 11 12 16 24 18 32 29 21 16 30 7 4 4 4 2 2 5 4 2 8 11 15 23 7 24 22 21 8 6 12 4 10 16 8 2 24 22 7 5 7 5 6 15 13 21 46 50 40 36 9 4 26 13 12 11 9 11 10 23 21 33 24 9 15 8 4 4 6 17 12 85 46 12 8 7 13 18 4 7 11 8 59 36 27 13 34 39 22 17 13 4 7 5 37 34 90 18 2 3 4 2 1 2 4 2 1 3 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 0 1 3 2 0 1 4 2 0 2 3 2 0 2 4 2 0 2 3 2 0 2 3 2 1 2 3 1 0 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 4 2 4 4 4 3 8 9 6 9 8 15 5 2 20 15 40 20 68 100 76 16 6 9 5 7 4 6 4 1 2 3 2 2 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 88 88 d 1H J 13 \| 86 85 dd 1H J 13 44 \| 77 76 d 1H J 84 \| 72 71 m 2H \| 71 71 dd 1H J 12 19 \| 37 36 m 1H \| 35 34 ddd 1H J 9 71 152 \| 32 32 ddd 1H J 8 70 150 \| 31 30 ddd 1H J 9 64 143 \| 28 28 ddd 1H J 9 64 143 \| 27 26 s 3H \| 23 23 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccccc1NC(=O)c1c(C)nsc1Nc1ccc(C#N)cn1	ir: 1 7 3 6 0 5 22 13 5 3 3 4 4 2 2 3 5 3 9 4 4 4 2 7 11 10 16 4 7 3 4 2 4 3 4 6 17 14 9 5 6 13 42 15 14 20 7 14 8 14 14 10 75 77 65 71 13 20 15 11 5 2 3 3 2 3 5 4 2 12 11 14 4 6 5 3 4 3 2 2 2 2 2 1 2 2 3 3 10 7 13 5 3 3 3 6 4 2 3 7 4 2 14 3 3 2 2 2 1 10 8 5 4 5 16 7 17 8 5 4 3 3 4 13 4 5 4 6 19 3 5 4 4 6 3 3 9 27 9 8 6 3 3 4 13 9 7 6 36 12 42 17 27 35 29 27 73 8 6 13 100 4 4 1 2 2 2 2 2 2 1 2 2 2 2 1 1 2 1 1 2 3 19 4 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 2 2 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 2 1 1 1 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 2 3 3 2 2 2 2 2 2 2 3 2 2 2 3 14 6 4 14 22 31 15 10 8 3 2 3 2 2 2 3 3 2 2 3 3 4 3 4 7 8 8 21 37 28 68 58 18 11 15 6 2 6 4 2 2 4 2 1 2 2 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 99 99 s 1H \| 88 87 d 1H J 19 \| 81 81 dd 1H J 20 79 \| 75 75 dd 1H J 15 79 \| 72 71 m 3H \| 71 71 d 1H J 79 \| 27 26 qd 2H J 6 73 \| 26 26 s 3H \| 12 11 t 3H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1c(Nc2cccc(Cl)c2)n[nH]c1N=Cc1ccc(Oc2ncccn2)cc1	ir: 1 1 2 1 3 2 2 8 13 7 6 6 4 12 9 7 1 3 3 3 2 15 9 22 2 4 12 11 2 7 8 2 4 4 6 2 3 6 11 4 2 8 8 1 2 3 3 12 10 9 85 55 100 11 35 11 15 9 10 8 4 2 2 2 4 2 25 11 9 6 2 1 12 2 2 3 2 12 3 4 6 4 3 1 2 2 2 3 5 3 1 1 2 2 1 1 3 3 2 28 3 2 3 2 3 9 12 8 5 2 3 4 3 2 0 3 13 7 2 2 4 2 2 2 2 10 33 13 2 2 1 2 2 2 2 2 7 3 3 8 2 6 9 26 14 2 3 3 4 19 6 24 16 25 43 39 7 19 16 5 13 23 9 39 20 0 1 2 2 0 1 2 1 1 1 2 1 0 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 2 3 2 2 3 6 10 7 21 4 4 3 2 1 2 2 2 1 2 2 1 2 3 4 7 8 2 2 4 9 14 59 37 9 12 19 8 7 97 6 3 4 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 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 92 92 s 1H \| 85 85 d 2H J 42 \| 83 83 s 1H \| 80 80 s 2H \| 79 78 m 2H \| 76 75 t 1H J 22 \| 73 72 t 1H J 79 \| 72 71 m 3H \| 71 70 t 1H J 41 \| 70 70 ddd 1H J 11 22 79	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(C)(C)C(CCCCc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1	ir: 1 6 2 3 5 9 8 6 4 5 12 10 13 5 24 5 1 2 3 7 2 5 7 6 4 4 5 1 5 8 16 2 4 4 5 6 6 9 8 11 41 11 7 5 3 1 2 2 1 1 1 2 2 12 24 20 2 3 3 1 3 6 10 6 14 15 12 23 10 6 5 1 2 3 1 3 4 5 3 2 1 3 14 37 19 54 38 7 4 16 8 5 7 3 1 1 3 4 1 3 5 7 3 3 3 2 2 6 4 5 6 4 7 3 1 4 8 10 12 8 8 4 3 9 18 4 4 4 2 2 5 6 5 7 9 21 4 2 3 2 2 4 9 28 15 10 7 3 2 10 3 3 3 3 6 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 2 1 2 2 2 5 1 3 2 3 8 16 14 27 40 100 19 17 7 6 1 1 3 2 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 76 75 dd 1H J 22 95 \| 73 72 m 4H \| 72 71 ddt 2H J 9 17 78 \| 71 70 d 1H J 94 \| 39 38 s 5H \| 37 36 s 2H \| 36 35 ddp 1H J 15 82 114 \| 26 26 tt 2H J 9 73 \| 20 19 ddt 1H J 87 99 145 \| 18 16 ddt 1H J 86 97 143 \| 17 13 m 5H \| 13 12 d 3H J 14 \| 12 12 d 3H J 14	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=S)Nc1c(C)cccc1N1CCOCC1	ir: 1 2 5 2 2 3 4 2 5 3 4 4 1 2 7 4 3 10 16 12 9 5 8 5 6 20 28 82 36 16 31 35 36 18 4 4 3 5 3 3 3 4 3 3 2 7 67 8 4 4 3 6 12 4 2 1 5 3 4 1 2 4 2 1 3 8 3 5 4 6 3 4 9 11 6 4 2 3 4 12 6 3 2 2 2 2 2 11 3 2 1 3 12 3 3 6 4 10 29 17 30 3 1 3 5 20 7 2 3 2 2 3 3 3 2 2 3 4 20 40 11 3 3 6 8 7 2 3 4 2 2 4 4 5 4 4 5 4 3 4 11 9 5 4 3 2 48 65 6 44 100 6 3 2 2 2 2 2 4 16 2 1 2 2 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 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 1 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 5 2 2 3 3 2 4 4 3 3 3 3 4 9 11 3 8 25 28 4 3 3 2 3 3 2 2 2 2 2 2 3 2 2 2 1 4 5 8 14 37 74 97 40 3 1 8 9 1 2 5 3 0 1 3 2 0 1 4 3 0 1 3 2 0 1 3 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 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2; 1HNMR: 98 98 s 1H \| 74 74 q 1H J 44 \| 71 70 dd 1H J 73 82 \| 70 69 dt 1H J 10 76 \| 69 68 dd 1H J 13 73 \| 38 38 m 4H \| 34 33 m 4H \| 31 31 d 3H J 42 \| 23 23 d 3H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1NC(=O)N1CCN(c2ccnc3cc(Cl)ccc23)CC1	ir: 2 1 3 2 2 5 2 1 1 1 1 2 1 2 11 4 2 2 2 1 1 1 1 2 8 1 1 3 1 3 2 0 2 2 2 2 1 2 6 1 1 5 4 9 43 11 10 11 5 33 2 9 2 1 1 3 9 4 2 3 1 2 2 10 3 4 3 1 19 1 1 2 3 13 4 5 2 3 2 1 1 1 3 6 6 7 2 1 2 5 1 2 6 7 5 4 7 8 3 2 2 3 2 1 1 2 2 3 1 1 0 2 3 2 0 2 2 2 1 3 2 3 1 3 1 1 1 2 1 2 1 1 1 3 4 8 8 11 7 11 5 2 2 1 2 6 19 2 17 100 10 3 19 19 3 11 11 0 2 3 58 4 1 1 1 11 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 2 1 2 1 1 0 1 3 1 5 6 10 14 30 25 8 8 4 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 3 3 6 13 18 11 4 4 5 3 1 1 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 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 1; 1HNMR: 87 87 d 1H J 51 \| 82 82 d 1H J 21 \| 82 81 d 1H J 89 \| 79 78 dd 1H J 12 81 \| 78 78 s 1H \| 76 75 dd 1H J 22 90 \| 72 71 d 1H J 51 \| 71 70 ddd 1H J 21 70 79 \| 70 69 m 2H \| 39 39 s 2H \| 36 36 m 4H \| 33 33 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1ccc(C(=O)Nc2cn3nc(N)ccc3n2)cc1	ir: 3 2 5 5 3 4 15 6 11 5 3 3 2 4 6 14 7 3 8 8 17 4 4 1 2 4 3 6 25 11 8 5 3 4 2 6 2 2 3 1 3 1 3 2 6 7 36 6 6 3 2 2 1 9 4 2 7 3 4 5 9 20 3 2 3 1 10 5 6 5 2 2 1 1 1 1 2 2 3 1 1 1 1 1 1 1 0 1 1 1 1 3 2 1 2 12 0 1 1 1 1 1 1 1 1 2 7 5 1 1 2 6 8 3 2 2 5 1 1 1 1 1 2 3 2 2 9 1 1 3 1 2 4 3 1 2 1 1 2 6 14 5 2 8 8 13 4 6 6 14 8 10 15 30 100 29 2 11 15 15 5 3 2 4 2 2 3 2 1 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 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 1 3 4 8 12 16 16 7 5 4 2 1 2 1 1 2 2 1 1 2 2 3 6 31 4 5 7 3 35 24 4 6 7 5 5 40 6 5 5 0 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 1 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 81 s 1H \| 77 77 m 4H \| 75 74 m 2H \| 71 71 d 1H J 88 \| 51 51 s 2H \| 13 13 s 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C/C=C/c1ccc2nc(N3CCN(C)CC3)c3nncn3c2c1	ir: 4 4 17 8 2 2 2 3 5 5 2 4 16 3 2 5 3 4 3 22 11 12 4 11 9 4 7 11 6 5 3 6 6 10 1 1 4 4 3 10 8 4 13 1 3 3 2 5 9 3 3 3 25 4 11 3 13 3 4 3 2 4 3 4 6 4 15 19 3 3 3 4 14 3 11 27 12 10 6 10 86 7 6 8 35 17 4 6 4 6 8 100 5 2 1 2 3 11 8 12 12 2 7 12 6 5 7 2 2 4 7 6 7 5 6 14 27 32 16 9 2 10 11 6 2 3 3 4 7 3 3 17 6 3 3 3 1 1 1 1 1 1 2 1 10 4 4 13 3 16 41 23 15 19 60 10 3 23 27 5 35 4 1 1 1 0 4 2 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 1 0 0 0 0 1 1 0 1 1 1 1 1 1 1 2 2 1 2 2 1 2 3 2 4 2 4 6 5 24 16 34 96 36 5 7 2 4 4 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 93 92 s 1H \| 80 79 m 2H \| 76 76 m 1H \| 66 65 m 1H \| 61 60 dq 1H J 65 141 \| 37 37 m 4H \| 29 29 s 2H \| 26 26 m 4H \| 19 18 dd 3H J 15 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CCNC(C)=O)c(OC)c1OC	ir: 2 3 3 3 4 6 4 2 1 1 2 2 2 2 2 2 3 4 5 6 4 7 4 4 12 8 5 8 10 18 45 18 17 15 4 8 5 3 2 1 1 2 3 2 2 3 4 1 2 2 3 2 7 19 15 11 7 7 3 1 6 6 17 12 9 6 7 7 9 22 13 10 5 3 3 4 3 4 3 0 4 13 2 3 1 1 2 8 8 2 2 1 1 1 2 1 1 1 3 2 3 6 6 3 1 1 2 2 1 1 1 7 6 8 6 3 3 2 6 7 4 7 6 10 8 6 5 3 3 2 3 4 1 1 1 2 2 1 1 4 4 3 20 42 100 45 87 10 6 5 3 0 3 5 1 0 0 2 1 3 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 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 2 2 3 2 2 3 6 4 4 8 9 15 6 16 10 7 6 4 2 1 1 1 1 1 1 1 1 1 1 1 2 2 4 15 20 23 27 22 49 24 5 4 2 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 0 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 1 0; 1HNMR: 70 69 t 1H J 52 \| 68 67 dt 1H J 9 86 \| 66 65 d 1H J 84 \| 39 38 d 6H J 9 \| 38 38 s 3H \| 35 34 q 2H J 54 \| 29 29 td 2H J 8 55 \| 20 19 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1	ir: 3 3 1 2 6 4 1 3 10 3 1 4 3 3 2 2 1 2 2 1 3 2 2 8 22 4 1 4 5 29 6 2 2 2 3 7 7 18 17 12 12 16 15 16 18 100 47 24 7 7 12 5 11 7 2 3 14 3 2 1 2 2 5 1 8 5 9 1 1 2 1 1 5 2 2 2 2 3 5 6 9 7 4 1 1 1 1 1 1 1 2 1 4 4 10 14 13 7 3 4 5 9 4 2 4 1 1 1 1 1 3 3 19 12 6 4 13 9 1 8 8 6 5 8 10 9 5 3 0 9 8 7 4 2 3 3 6 9 8 53 71 12 4 4 12 18 7 37 49 36 46 16 7 16 3 33 19 3 1 1 2 4 1 2 1 1 1 1 0 0 0 1 0 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 1 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 1 1 2 2 1 2 2 3 9 16 21 11 45 83 27 15 5 2 0 1 1 1 0 1 1 1 1 1 1 2 2 2 1 2 9 9 14 17 10 6 4 2 1 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 84 dt 1H J 9 19 \| 81 80 hept 1H J 7 \| 76 75 m 2H \| 75 74 m 4H \| 42 41 q 2H J 66 \| 37 37 d 2H J 9 \| 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.
COC1(OC)CCN2C[C@H](O)C[C@H]2C1	ir: 2 10 7 6 5 12 9 17 16 13 13 14 5 6 11 11 5 12 28 16 12 10 8 6 9 25 12 4 2 4 3 2 3 4 2 2 2 2 2 2 4 5 7 2 3 3 3 3 3 3 2 1 2 4 2 1 4 4 4 17 16 33 19 1 6 6 7 8 16 8 8 7 7 12 12 14 8 8 10 24 21 26 30 25 33 72 100 81 45 30 12 17 13 13 13 32 40 15 4 7 8 10 21 10 12 14 13 19 11 13 1 5 8 5 3 5 8 6 6 5 12 6 5 23 18 20 24 12 17 7 3 7 8 12 18 14 9 4 2 4 4 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 3 2 3 4 3 8 3 8 6 7 9 12 9 9 15 19 37 13 4 2 4 2 0 3 4 6 24 9 6 2 1 3 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 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 43 42 ddddd 1H J 8 23 40 49 88 \| 38 38 d 1H J 57 \| 33 32 s 5H \| 32 31 ddddd 1H J 8 18 44 63 97 \| 31 30 ddd 1H J 46 66 123 \| 29 28 m 2H \| 27 26 ddd 1H J 18 42 115 \| 22 20 m 2H \| 20 19 m 2H \| 18 17 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C(O)CNC(=O)c2cc(F)c3[nH]ccc3c2)cc(OC)c1OC	ir: 1 10 5 2 1 3 3 2 0 2 4 9 5 5 6 4 5 7 5 6 8 14 19 50 24 2 15 7 2 2 3 2 2 1 3 2 3 1 3 4 10 100 12 20 5 2 1 2 1 2 2 1 2 2 1 0 2 2 3 2 1 1 1 1 4 6 8 4 5 10 13 5 10 5 3 1 1 2 2 11 4 4 1 1 2 2 2 0 2 3 3 8 9 15 22 29 34 11 2 16 3 1 1 1 4 3 5 3 10 11 1 2 4 2 0 1 2 1 1 3 4 2 1 2 2 2 4 7 2 3 12 4 4 2 0 1 2 1 1 5 3 2 17 9 19 16 8 4 1 1 40 5 2 3 2 1 3 1 1 1 1 1 3 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 0 0 1 1 0 0 2 2 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 2 2 1 5 3 6 50 9 10 27 41 28 12 5 2 2 2 1 0 1 2 1 1 2 2 2 1 2 3 1 28 13 49 8 3 3 4 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 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 93 92 dd 1H J 40 77 \| 83 82 t 1H J 22 \| 77 77 dd 1H J 22 121 \| 73 72 m 2H \| 67 67 m 3H \| 49 48 m 1H \| 44 43 d 1H J 51 \| 41 40 ddd 1H J 43 66 136 \| 39 38 d 9H J 22 \| 38 37 ddd 1H J 43 66 136	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nc(-c2cnc3[nH]cc(C(=O)NC(CO)CO)c3n2)c2ccc(Cl)cc21	ir: 3 3 6 4 7 8 7 5 7 18 5 10 20 6 6 5 6 6 4 6 6 6 12 10 75 10 7 7 33 34 30 16 43 38 24 8 6 5 6 9 71 19 4 3 8 18 19 9 5 5 4 2 5 5 23 21 10 2 3 2 2 5 4 1 3 3 4 8 4 3 3 2 3 2 6 3 2 4 5 4 3 3 3 8 9 8 19 13 28 26 20 45 55 23 19 11 18 8 24 18 8 20 8 6 9 4 4 3 3 3 3 5 3 2 6 5 4 6 32 5 5 8 7 5 3 5 2 7 19 13 6 2 3 3 4 1 2 33 1 2 2 3 5 27 19 100 23 4 4 5 7 1 81 19 6 5 12 1 1 4 2 0 2 3 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 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 1 1 1 1 2 1 1 1 2 1 1 1 2 1 2 2 1 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 2 2 1 1 1 2 2 2 1 2 3 5 3 4 3 6 4 2 5 25 10 19 23 41 10 8 11 50 10 5 3 2 2 3 2 2 3 2 4 8 4 7 5 4 43 70 9 10 6 3 8 3 2 2 1 1 3 2 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 92 92 s 1H \| 82 81 d 1H J 82 \| 81 81 d 1H J 83 \| 80 80 d 1H J 88 \| 76 76 d 1H J 22 \| 74 73 dd 1H J 21 83 \| 41 40 t 2H J 52 \| 39 38 m 4H \| 38 38 dt 2H J 49 120 \| 36 35 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@H](N)C(=O)N[C@H]1CC[C@@H]2CN(c3ccc(C(F)(F)F)cc3)C[C@@H]21	ir: 1 4 6 4 1 4 6 3 1 4 5 3 2 6 7 7 10 5 6 3 1 4 5 2 1 6 5 4 3 7 6 4 4 8 15 2 8 21 38 15 9 13 16 9 9 8 5 0 6 10 17 4 10 8 43 4 6 13 12 13 8 23 66 20 47 9 4 6 4 8 6 32 11 14 9 4 4 6 14 37 27 35 5 3 6 6 3 3 6 5 3 4 8 13 17 21 7 11 14 25 19 6 5 12 10 8 8 9 7 6 4 10 97 11 6 8 6 7 9 6 8 6 5 7 15 10 5 9 7 9 15 55 43 86 15 19 5 3 4 6 5 3 4 10 14 43 49 32 13 13 11 15 6 7 11 6 4 1 3 6 3 1 3 12 8 0 2 6 3 1 3 5 3 0 3 5 2 0 3 5 2 1 3 4 3 2 3 4 2 1 4 4 2 1 4 4 2 1 4 4 2 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 1 2 5 3 0 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 2 4 4 2 2 4 3 1 2 4 4 1 2 4 5 2 3 5 4 3 3 6 3 5 8 8 6 4 22 7 14 100 14 10 5 2 5 5 3 3 3 5 3 3 8 13 17 13 9 9 6 10 18 82 55 37 18 14 5 4 5 4 2 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 3 3 2 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4; 1HNMR: 76 76 dq 2H J 14 68 \| 69 69 m 2H \| 59 59 d 1H J 80 \| 49 49 d 2H J 62 \| 38 38 m 2H \| 37 36 ddq 2H J 14 49 107 \| 36 36 dd 1H J 25 122 \| 35 34 dd 1H J 27 115 \| 24 24 ddddq 1H J 9 18 26 44 54 \| 22 22 m 1H \| 19 18 m 3H \| 17 15 m 3H \| 10 9 td 3H J 15 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)nc(Nc2cc(NS(=O)(=O)CCNC(=O)OC(C)(C)C)cnc2C#N)c1	ir: 13 19 12 7 13 6 9 7 7 7 9 13 5 3 5 9 23 9 5 4 9 12 14 14 51 41 29 49 43 86 5 58 31 100 32 12 15 19 11 4 7 9 6 15 11 6 3 3 2 4 12 3 2 5 5 4 4 8 3 1 3 14 9 3 29 22 10 15 19 17 30 24 29 7 3 1 2 3 1 0 3 3 1 1 3 6 68 37 6 7 48 3 3 6 34 12 5 3 4 7 6 8 16 24 41 13 28 25 7 8 5 19 25 7 8 8 13 21 46 10 10 29 19 9 3 4 7 6 10 22 15 7 10 12 27 11 14 5 73 23 4 5 8 8 31 19 18 25 8 46 17 8 3 9 18 6 8 6 2 3 5 29 25 17 28 8 4 3 2 1 1 2 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 2 1 1 2 2 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 3 3 2 3 3 7 5 2 3 3 3 5 4 4 14 40 12 22 47 14 12 9 1 3 4 4 2 2 3 2 2 2 3 3 1 4 4 6 10 10 25 57 89 50 55 69 25 9 4 3 3 2 4 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 87 d 1H J 16 \| 84 84 s 1H \| 82 82 s 1H \| 72 72 d 1H J 16 \| 67 67 m 2H \| 65 64 m 1H \| 35 34 tdd 2H J 7 57 66 \| 34 33 td 2H J 8 67 \| 24 24 s 3H \| 23 23 s 3H \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC1CCC(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	ir: 3 3 2 5 0 2 6 8 15 2 1 3 4 8 3 2 1 2 9 4 1 1 1 1 1 1 1 1 2 1 2 7 27 16 2 0 1 2 2 0 1 1 1 1 3 2 2 0 13 2 1 1 1 2 6 3 6 3 18 17 8 7 4 2 16 32 29 3 18 6 6 2 10 9 7 4 6 8 14 6 3 4 5 3 6 100 15 19 3 2 3 3 5 5 3 3 3 2 32 27 24 4 2 1 1 2 1 2 3 6 4 4 16 30 3 2 3 2 0 1 2 4 2 8 19 6 5 23 19 10 5 24 4 4 13 25 15 4 2 9 10 9 1 2 1 1 0 1 1 0 0 1 1 2 1 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 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 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 1 0 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 3 2 3 11 5 4 3 29 12 2 1 1 1 1 1 1 1 1 2 3 8 18 34 14 5 6 3 2 5 89 10 3 3 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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; 1HNMR: 81 81 t 1H J 22 \| 78 78 ddd 1H J 11 21 82 \| 78 77 ddd 1H J 12 22 104 \| 76 75 dd 1H J 83 104 \| 31 30 m 2H \| 22 21 dddd 2H J 67 79 93 144 \| 19 17 m 4H \| 16 15 dddd 2H J 44 66 93 134 \| 15 14 d 2H J 53	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cccc(/C=C/c2ccccc2C(=O)O)c1	ir: 1 1 1 1 2 1 1 3 2 2 2 3 2 3 7 5 12 3 3 5 8 30 100 50 6 2 2 3 2 4 3 3 2 1 2 1 2 1 2 2 1 1 11 3 1 2 2 9 4 2 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 1 6 19 6 27 11 16 4 2 2 1 2 2 2 5 2 4 2 1 1 1 1 1 5 1 1 1 1 1 4 6 1 1 1 1 1 1 1 2 4 3 1 3 3 4 1 1 1 1 1 2 1 1 1 1 1 1 2 2 2 2 3 2 3 2 1 4 4 2 2 6 6 16 11 3 2 2 1 2 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 2 6 12 14 5 2 0 1 2 1 0 6 45 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 81 t 1H J 22 \| 80 79 ddd 1H J 13 22 77 \| 79 78 m 1H \| 78 77 d 1H J 158 \| 77 77 ddt 1H J 9 20 81 \| 75 74 m 3H \| 73 72 ddd 1H J 30 61 82 \| 71 70 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(COC(=O)C(Cc2cc(=O)[nH]c3ccccc23)NC(=O)c2ccc(Cl)cc2)CC1	ir: 8 5 3 7 4 3 4 4 4 4 4 4 7 5 4 3 3 7 5 6 7 4 6 5 3 3 4 4 6 6 26 8 3 3 5 5 4 3 4 3 14 32 9 48 6 3 3 4 5 4 5 4 3 4 3 5 3 6 5 4 3 3 4 5 6 6 13 9 4 7 4 3 6 5 4 6 5 3 4 21 9 8 4 4 5 10 9 5 3 5 3 3 3 3 3 9 5 5 7 4 9 8 3 5 6 5 3 4 7 6 3 3 3 5 3 3 4 5 4 5 5 5 7 4 10 6 5 5 8 14 5 4 5 3 3 4 3 3 5 3 4 3 20 11 8 16 5 5 3 5 14 4 7 11 3 3 3 3 4 9 9 4 7 2 100 0 4 4 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 6 5 4 3 6 9 8 45 12 16 5 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 5 9 20 22 11 5 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; 1HNMR: 79 78 m 2H \| 76 76 m 1H \| 75 75 m 3H \| 75 74 td 1H J 15 77 \| 74 73 dd 1H J 16 80 \| 73 72 td 1H J 16 79 \| 65 65 t 1H J 14 \| 48 47 m 2H \| 47 46 dt 1H J 68 90 \| 36 35 ddd 1H J 13 68 161 \| 34 33 ddd 1H J 13 68 161 \| 28 27 m 4H \| 26 26 m 4H \| 24 23 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1nc2c(N)nc3cc(-c4cccnc4)ccc3c2n1CCCCN	ir: 6 3 3 3 5 4 2 3 5 4 0 5 6 3 3 5 7 3 1 4 7 3 4 6 5 4 3 9 8 5 6 6 6 2 7 8 10 2 3 7 6 5 5 8 7 2 2 9 5 7 7 30 27 17 17 22 10 7 6 9 8 2 5 12 17 16 14 31 19 35 9 8 5 2 4 4 3 2 5 4 5 24 12 10 3 3 5 11 15 4 11 5 3 6 8 5 5 4 6 4 1 3 7 6 2 8 4 9 8 17 20 17 15 26 9 11 9 10 14 20 14 10 10 6 4 7 4 5 6 10 13 6 9 11 14 6 10 5 5 4 2 11 17 7 6 15 35 6 7 12 5 2 8 10 9 3 2 11 5 3 2 4 3 1 2 9 6 9 6 7 2 0 2 4 2 1 2 4 2 0 2 3 2 0 3 3 1 1 2 3 1 1 3 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 4 2 0 2 3 2 0 2 3 1 0 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 3 2 4 9 4 9 12 11 15 3 6 8 9 8 14 77 68 40 33 31 29 29 6 6 4 5 6 6 3 5 5 7 7 8 59 54 16 3 8 14 20 81 100 19 16 6 4 3 3 4 4 3 2 2 3 2 2 2 4 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 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 90 89 d 1H J 20 \| 87 86 dd 1H J 17 48 \| 82 82 d 1H J 21 \| 81 80 d 1H J 82 \| 80 79 m 2H \| 74 73 dd 1H J 48 76 \| 65 64 s 2H \| 41 41 t 2H J 69 \| 28 27 tt 2H J 46 65 \| 26 26 t 2H J 62 \| 19 18 p 2H J 70 \| 18 17 qt 2H J 62 75 \| 16 15 m 4H \| 10 9 t 3H J 75	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CC2OCCN(Cc3ccccc3)C2C1	ir: 1 2 1 4 9 5 2 3 5 4 24 17 3 2 3 1 3 2 2 2 1 1 2 0 1 7 3 1 0 2 4 5 5 2 2 1 1 2 5 33 31 3 5 2 2 3 3 1 2 4 2 0 1 10 2 0 2 2 2 0 1 7 3 1 4 2 1 2 6 3 8 1 2 2 1 1 3 4 4 2 1 1 11 11 2 2 1 6 8 11 2 3 2 3 2 2 5 6 5 7 5 4 1 5 3 1 3 3 2 1 1 3 4 9 30 25 7 5 3 3 5 3 1 6 4 2 1 5 3 8 4 6 23 11 5 16 10 2 0 1 2 3 10 2 3 1 2 2 2 0 11 100 5 3 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 2 1 2 2 2 2 2 3 1 1 2 3 3 6 31 11 13 57 9 9 2 1 1 2 1 1 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 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 1 1 0 1 1 1 0 1 1; 1HNMR: 73 72 m 2H \| 73 73 s 4H \| 41 40 dt 1H J 22 43 \| 39 38 dddd 5H J 41 61 124 133 \| 37 37 ddd 1H J 35 62 101 \| 36 36 dd 1H J 22 119 \| 36 35 m 2H \| 34 33 dt 1H J 30 42 \| 29 29 ddd 1H J 35 61 124 \| 28 27 ddd 1H J 35 62 124 \| 15 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)COc1cc(C)c(-c2cccc(COc3ccc(CO)cc3)c2)c(C)c1	ir: 1 3 3 3 0 7 3 7 6 9 4 4 8 5 7 3 4 5 2 2 3 6 7 1 1 2 2 1 1 3 3 4 4 22 7 6 1 2 1 0 1 4 1 0 1 3 12 17 5 4 3 3 4 10 17 3 4 5 7 1 8 2 5 8 8 32 7 4 11 19 22 9 15 15 3 2 6 4 3 6 6 4 5 10 21 40 49 61 23 12 18 17 11 7 3 3 2 8 6 2 1 1 1 1 1 3 5 2 3 1 0 2 2 1 0 2 3 2 1 2 3 3 6 9 10 25 9 5 6 4 4 2 1 1 2 2 41 1 1 2 3 11 27 7 2 2 3 6 3 5 3 8 11 2 3 5 5 1 1 2 6 1 8 4 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 3 1 2 2 2 6 3 3 2 3 2 4 3 9 7 18 24 100 27 8 6 2 3 4 3 21 5 3 1 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 76 76 tq 1H J 9 18 \| 74 73 m 3H \| 72 72 dt 2H J 9 88 \| 69 69 m 2H \| 67 67 s 2H \| 52 51 d 0H J 18 \| 52 51 s 2H \| 48 48 s 2H \| 46 45 dt 2H J 9 57 \| 25 25 t 1H J 57 \| 23 23 s 6H \| 23 22 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)Cc1cccc2c(C(CCC#N)c3ccc(Cl)c(F)c3)c[nH]c12	ir: 4 1 1 2 3 2 1 1 2 2 1 3 5 3 1 4 4 4 3 3 2 2 4 4 5 4 6 5 10 7 5 5 9 2 3 7 8 40 21 7 29 7 15 8 5 2 3 5 15 13 4 10 17 100 11 7 2 11 4 3 5 2 3 3 4 4 5 5 18 7 3 3 6 2 2 3 1 1 2 3 4 3 3 5 2 1 1 3 5 2 4 10 30 6 6 1 1 1 5 8 28 16 3 2 4 4 11 5 12 10 11 9 4 6 6 14 6 11 9 15 8 7 5 3 1 4 9 5 7 7 4 2 1 6 5 2 0 3 4 18 11 7 7 15 4 2 4 5 17 4 5 5 7 21 11 3 2 2 3 2 6 12 2 1 1 2 1 1 1 2 1 0 1 2 2 1 2 3 2 43 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 2 1 2 2 1 2 2 3 3 2 6 7 3 4 4 4 4 10 16 21 62 19 78 33 20 10 8 8 3 3 2 4 2 1 2 1 2 1 2 1 1 2 2 2 2 2 2 20 9 33 21 6 2 2 3 1 2 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 88 88 d 1H J 71 \| 78 77 dd 1H J 14 79 \| 74 74 dd 1H J 48 93 \| 73 72 dq 1H J 10 72 \| 72 71 m 2H \| 71 70 m 2H \| 42 41 d 2H J 7 \| 39 38 ddd 1H J 8 49 55 \| 27 26 dt 1H J 73 107 \| 25 24 m 5H \| 23 22 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1nccc2c1[nH]c1ccc(Br)cc12	ir: 4 12 4 3 2 1 11 25 2 3 1 1 1 1 2 9 2 2 8 27 87 20 14 41 17 3 1 5 1 1 1 1 1 2 6 4 3 13 3 2 3 5 2 3 3 8 17 9 6 4 7 7 21 100 4 4 2 1 3 2 1 0 5 3 1 1 7 17 11 3 7 12 8 9 7 14 3 2 1 2 12 5 4 6 3 3 1 1 2 3 2 1 1 1 3 1 6 23 35 3 11 1 3 1 1 1 3 14 0 1 3 11 3 2 2 3 5 5 4 2 5 8 10 5 26 1 1 1 1 5 7 2 5 8 9 12 3 6 3 2 8 4 1 1 0 2 1 2 4 10 5 7 11 19 24 2 1 1 1 1 2 1 16 1 1 0 1 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 1 2 3 4 9 7 4 8 51 66 15 6 2 2 1 1 1 2 1 1 1 1 1 1 1 2 2 1 1 1 6 3 8 4 32 11 5 33 7 2 2 2 1 1 1 1 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 d 1H J 46 \| 82 82 dt 1H J 7 18 \| 79 78 d 1H J 47 \| 74 74 m 2H \| 28 27 q 2H J 72 \| 14 13 t 3H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(N2CCc3c(NCCO)nc4c(OC(F)(F)F)cccc4c32)c1C	ir: 3 21 10 7 4 7 10 9 6 7 7 9 10 9 24 18 3 20 21 14 6 8 7 5 8 14 19 32 8 15 7 24 16 6 6 7 9 12 6 5 4 3 5 8 13 67 20 70 5 19 5 2 4 5 10 27 6 6 5 2 4 6 3 4 5 6 3 3 4 10 4 3 4 6 8 10 4 7 9 6 6 4 7 6 19 5 3 3 5 5 4 10 36 8 18 43 47 36 68 9 9 31 21 5 16 15 4 3 12 5 2 8 5 20 7 4 6 5 2 5 7 15 10 16 12 7 11 7 5 5 6 4 3 6 4 3 5 15 43 24 19 3 3 5 5 1 5 4 86 41 7 10 8 2 8 73 10 0 5 10 8 37 5 1 6 2 3 4 3 2 3 3 3 2 3 3 3 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 5 3 3 3 4 3 2 3 4 3 2 3 3 2 2 3 3 2 2 3 4 3 2 3 3 2 2 3 3 2 2 3 3 2 3 4 3 2 3 4 3 3 3 5 5 3 6 6 4 3 4 6 6 7 22 8 9 20 26 18 9 66 100 21 5 7 6 3 4 3 4 4 3 3 5 5 9 4 14 12 5 23 24 23 12 4 5 4 3 3 4 4 3 3 4 3 2 3 4 3 2 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3; 1HNMR: 78 78 dd 1H J 14 89 \| 74 73 dd 1H J 80 89 \| 73 73 dd 1H J 14 80 \| 72 71 dd 1H J 72 80 \| 69 69 dp 1H J 8 81 \| 68 68 dd 1H J 11 71 \| 67 67 t 1H J 54 \| 43 42 t 2H J 45 \| 41 40 t 1H J 54 \| 38 37 td 2H J 44 53 \| 37 36 m 2H \| 31 30 t 2H J 45 \| 22 22 s 2H \| 22 21 d 3H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(c2cc3c(-c4ccc(S(=O)(=O)NCCO)cc4)ccnc3[nH]2)CC1	ir: 5 10 16 14 4 7 4 5 5 4 4 4 5 5 18 7 4 3 5 5 4 12 6 5 2 2 2 2 2 2 2 1 2 6 9 2 3 2 2 5 17 14 4 5 4 4 16 6 5 4 3 5 3 7 14 34 9 8 15 11 5 2 2 5 8 8 6 8 29 18 3 4 9 4 5 2 3 7 3 8 4 5 0 5 100 8 35 77 14 10 3 7 5 4 6 8 8 4 2 10 3 2 6 9 5 3 13 14 8 4 7 4 2 3 6 3 4 3 3 2 2 6 3 9 10 2 10 6 3 3 7 4 3 1 1 1 1 1 1 1 1 1 1 10 2 2 9 4 10 2 2 3 2 2 4 52 6 6 7 2 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7 3 3 3 5 9 15 18 10 12 5 3 4 8 18 6 4 2 1 2 1 1 2 2 3 2 9 20 97 9 7 4 33 11 2 1 1 2 2 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 88 s 1H \| 85 84 d 1H J 44 \| 80 79 m 2H \| 78 78 m 2H \| 76 75 d 1H J 44 \| 72 71 s 1H \| 63 62 t 1H J 72 \| 37 36 q 2H J 55 \| 34 34 t 1H J 54 \| 32 32 dt 2H J 56 72 \| 13 13 s 2H \| 12 12 m 2H \| 10 9 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNCc1ccc(CSCCN=C(NCC(O)c2ccc(O)cc2)NS(C)(=O)=O)o1	ir: 6 3 4 21 4 4 3 11 3 8 3 9 5 8 15 8 12 15 6 5 2 2 5 5 5 5 5 2 2 2 2 4 1 3 4 5 7 5 3 3 5 5 6 4 9 4 6 4 3 6 6 7 5 13 34 51 13 14 18 7 11 5 3 3 2 1 3 6 2 33 16 19 4 5 8 3 4 6 2 14 50 23 8 6 16 10 13 19 100 25 22 10 4 8 9 14 7 5 6 14 29 12 9 13 8 5 3 3 6 5 12 8 4 4 11 8 10 3 6 8 4 10 16 7 12 8 10 3 7 4 4 8 8 14 6 1 1 1 2 2 9 11 8 12 3 4 2 5 17 8 50 19 5 3 1 1 1 0 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 2 3 1 1 1 2 2 1 2 1 0 1 2 5 8 11 5 13 18 8 8 6 3 4 5 11 38 26 5 1 2 1 2 1 2 7 21 15 35 9 5 8 8 20 42 81 58 18 6 1 1 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 s 1H \| 72 72 m 2H \| 68 67 m 2H \| 64 64 dt 1H J 9 52 \| 63 63 dt 1H J 9 51 \| 59 59 t 1H J 58 \| 49 48 tdd 1H J 9 44 48 \| 48 48 s 1H \| 43 42 d 1H J 53 \| 40 39 m 3H \| 38 38 d 2H J 7 \| 37 36 ddd 1H J 41 59 136 \| 35 34 t 2H J 65 \| 31 31 s 2H \| 28 28 t 2H J 65 \| 25 24 m 1H \| 24 24 d 3H J 45	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1ccc2[nH]c(C(=O)O)cc2c1	ir: 6 7 5 7 5 6 5 5 5 8 7 5 8 27 24 26 45 7 22 10 17 39 38 29 44 14 10 6 11 12 6 4 7 5 9 35 6 50 6 3 4 6 5 4 6 6 5 3 7 6 7 5 5 8 12 4 15 7 5 3 5 6 5 4 6 7 11 8 11 9 5 5 6 6 4 4 13 26 9 26 5 5 4 7 6 8 5 4 9 9 12 12 6 5 4 8 5 5 5 4 6 7 13 22 14 6 5 6 10 14 7 5 7 6 0 18 16 16 10 6 9 6 5 13 31 61 52 21 7 6 5 5 5 4 4 5 6 7 44 11 41 9 17 100 21 35 9 7 5 4 5 6 21 64 23 9 5 5 7 34 29 38 5 6 6 4 5 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 5 4 4 5 4 4 5 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 4 5 5 4 5 5 5 5 5 7 8 10 18 24 32 34 22 19 16 13 9 6 5 6 98 13 5 4 5 5 5 4 5 5 5 5 9 8 10 8 18 15 27 23 24 7 6 6 6 6 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5; 1HNMR: 84 83 dd 1H J 15 23 \| 78 78 dd 1H J 15 72 \| 75 75 d 1H J 72 \| 73 73 d 1H J 20 \| 27 26 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3ccc(F)cc3)cc2)C1	ir: 0 5 7 17 32 18 9 13 14 25 45 32 16 8 6 7 11 3 2 3 3 3 1 2 2 2 2 2 2 2 4 4 3 3 3 2 2 1 5 3 2 1 3 6 3 3 3 7 5 1 4 13 44 72 56 34 38 13 7 7 3 8 5 5 4 5 12 11 35 54 10 5 2 5 4 3 4 4 2 2 2 1 2 2 2 2 6 5 5 3 6 6 4 7 4 3 3 3 2 3 3 5 4 8 8 26 32 16 7 2 4 7 6 26 46 18 19 8 10 8 11 5 10 6 8 5 5 13 7 17 23 26 39 57 16 5 3 3 4 3 2 3 7 6 77 24 3 4 7 10 78 100 36 4 4 3 3 1 2 30 4 3 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 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 1 2 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 4 5 5 6 3 5 7 3 4 6 7 5 8 9 70 32 53 44 46 12 21 16 9 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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; 1HNMR: 76 76 m 2H \| 72 71 m 4H \| 69 69 m 2H \| 42 42 dd 1H J 49 116 \| 40 40 dd 1H J 49 116 \| 38 37 m 1H \| 36 36 ddd 1H J 52 72 122 \| 35 34 m 2H \| 25 25 tt 1H J 41 48 \| 21 21 ddt 1H J 52 72 123 \| 19 18 ddt 1H J 51 71 125 \| 15 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(cc1OC)-c1cc(Oc3ccccc3C3CCCC3)nc(=O)n1CC2	ir: 4 4 1 6 5 4 4 3 3 5 3 7 3 3 5 3 3 2 4 2 2 3 2 1 1 2 3 2 4 4 2 2 3 4 2 4 3 3 8 7 26 13 37 73 100 29 14 15 3 3 3 0 3 3 3 0 1 2 2 6 5 2 3 4 4 8 25 40 62 18 25 23 23 16 6 6 4 2 8 2 2 2 3 6 5 2 1 1 2 4 16 11 2 5 3 1 3 6 2 1 2 2 2 3 3 3 3 7 2 4 8 7 5 11 2 4 3 4 5 6 5 7 32 20 5 5 4 9 8 8 4 2 2 5 5 4 4 21 3 11 29 6 14 4 9 4 2 2 23 7 4 4 9 70 44 24 5 2 5 1 40 36 3 5 3 1 11 14 6 2 1 4 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 0 1 1 0 1 2 1 0 1 2 1 1 1 3 3 1 1 3 3 5 4 5 2 0 3 4 5 9 19 13 10 47 47 37 30 7 3 1 3 3 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 75 s 1H \| 73 72 m 2H \| 72 71 ddd 1H J 11 72 81 \| 71 70 dd 1H J 12 82 \| 67 67 s 1H \| 67 66 d 1H J 9 \| 42 41 m 2H \| 39 38 d 6H J 57 \| 31 31 m 1H \| 30 30 td 2H J 8 47 \| 20 19 m 2H \| 18 16 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1ccc(N2Cc3ccc(N)cc3C2=O)cc1	ir: 84 17 33 31 26 16 13 9 10 5 6 12 10 15 13 6 7 4 7 2 8 4 2 6 5 4 6 9 11 47 24 5 11 7 7 4 2 5 5 14 55 30 3 7 4 5 4 8 4 5 8 11 42 28 29 43 18 15 12 5 2 2 1 2 3 2 4 6 24 17 3 2 2 1 6 13 16 9 7 17 53 3 2 28 4 2 10 10 28 20 10 8 2 1 1 3 3 7 12 21 59 5 6 8 20 42 10 10 1 2 4 3 2 2 2 2 2 3 4 3 2 2 2 2 2 10 5 7 5 2 4 2 27 3 2 2 2 8 19 4 3 1 1 1 2 4 1 6 30 38 11 11 23 33 57 39 27 26 12 2 5 6 6 18 6 2 2 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 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 2 2 1 1 1 1 1 2 1 4 2 2 3 6 3 8 4 4 4 3 5 11 14 10 35 100 35 17 5 4 4 4 3 3 2 1 1 1 1 1 2 3 4 36 100 10 4 1 1 1 1 1 1 3 5 76 82 8 5 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 2 2 1 1 1 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 73 73 d 1H J 21 \| 72 72 dt 1H J 9 83 \| 72 71 m 2H \| 70 70 dq 2H J 9 81 \| 67 66 dd 1H J 22 82 \| 50 49 d 2H J 10 \| 49 49 s 2H \| 26 26 tt 2H J 9 64 \| 17 16 qt 2H J 64 76 \| 10 9 t 3H J 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)N1CCC[C@@H](OS(C)(=O)=O)C1	ir: 14 6 5 5 5 30 8 14 7 10 8 16 40 7 7 6 12 7 3 1 1 3 6 3 1 2 2 1 1 2 3 1 3 3 7 4 1 2 3 2 1 3 2 0 2 7 19 5 3 5 9 1 2 19 3 1 2 7 8 0 2 5 3 1 2 4 4 0 2 5 2 89 4 10 12 5 4 9 5 2 2 2 2 1 2 3 3 5 46 5 1 2 7 2 1 1 3 5 1 2 9 52 5 5 3 4 1 4 6 3 2 17 4 3 2 2 3 3 12 10 9 20 40 28 9 6 2 5 6 6 10 21 6 3 3 11 5 5 2 2 2 1 2 2 2 1 2 2 3 3 6 100 5 0 1 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 8 8 6 4 2 5 2 3 4 4 2 4 6 6 19 21 13 4 6 7 10 4 2 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2; 1HNMR: 48 47 dddd 1H J 30 43 56 71 \| 39 39 dd 1H J 30 113 \| 37 36 m 2H \| 35 34 m 1H \| 29 28 s 3H \| 20 18 m 2H \| 18 16 m 2H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C1CCCCCN(C(C)C(=O)O)C1=O	ir: 4 7 7 4 3 4 4 3 3 4 6 4 6 9 8 5 2 5 5 9 28 26 26 9 6 5 3 3 3 3 3 5 4 5 6 5 8 13 9 4 5 6 4 2 3 5 4 3 4 4 6 3 4 4 3 2 3 3 3 2 3 3 3 2 2 3 3 3 4 6 5 5 5 7 7 5 4 12 19 24 10 4 3 4 7 10 8 3 4 3 2 3 4 4 3 5 6 4 5 3 4 3 3 4 5 3 2 3 5 7 4 8 10 12 6 5 6 7 3 4 6 4 3 4 4 4 3 5 8 4 3 5 6 9 30 22 12 3 2 4 3 3 2 8 36 12 4 6 10 20 4 4 3 2 2 3 3 2 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 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 3 3 3 4 3 3 4 4 4 7 8 4 3 12 5 3 3 3 3 6 6 6 2 3 6 75 100 2 0 3 4 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 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 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 56 56 dt 1H J 10 20 \| 56 55 dt 1H J 9 20 \| 43 42 q 1H J 76 \| 34 33 dt 1H J 65 128 \| 33 32 dt 1H J 65 127 \| 25 24 tt 2H J 10 76 \| 17 15 m 4H \| 15 14 m 2H \| 14 13 d 3H J 77	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=O)NC1=C(C#N)C(c2ccc3c(c2)OCO3)c2ccc(N(C)C)cc2O1	ir: 3 1 1 3 3 2 1 2 2 2 2 4 3 1 2 3 2 4 5 3 4 3 6 9 4 2 2 9 2 4 3 3 4 4 6 7 7 9 11 7 22 18 7 8 6 12 17 32 8 14 10 13 7 5 17 2 18 3 1 2 3 3 6 5 8 27 20 15 12 31 5 6 4 4 4 3 3 2 5 4 2 1 3 2 3 9 5 4 10 11 5 6 9 4 6 3 4 5 4 4 2 1 2 1 0 1 2 1 1 2 3 2 1 3 11 6 3 6 2 9 3 4 8 2 1 3 3 2 1 2 4 1 3 2 2 1 1 3 3 12 8 5 12 4 6 8 14 3 3 5 50 16 3 6 13 4 8 61 5 3 1 2 4 8 5 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 2 20 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 2 1 1 2 1 0 3 3 3 3 2 9 9 11 38 100 34 6 3 5 3 1 2 2 1 0 1 2 1 1 2 2 1 1 2 2 7 8 21 27 8 5 2 2 2 2 2 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 91 90 s 1H \| 72 71 dd 1H J 7 79 \| 69 69 m 1H \| 69 68 dd 1H J 7 20 \| 68 68 d 1H J 83 \| 67 67 dd 1H J 22 81 \| 63 62 d 1H J 22 \| 59 59 s 2H \| 48 48 d 1H J 8 \| 29 29 s 5H \| 24 23 q 2H J 72 \| 11 11 t 3H J 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Cc2ccc(Cl)cc2)n(O)c(=O)c1	ir: 0 4 3 7 5 5 10 6 7 9 8 2 0 2 1 1 0 10 4 2 3 1 2 1 2 5 5 4 2 3 1 1 1 1 2 6 3 6 8 14 6 2 1 1 1 2 2 7 4 2 4 6 5 6 7 20 7 3 2 2 7 3 4 3 5 7 10 16 17 7 3 2 2 5 12 11 4 2 1 1 1 1 1 1 0 13 6 1 1 1 2 3 4 27 100 86 13 4 2 17 21 3 1 1 4 4 5 6 1 1 0 1 1 1 0 1 1 1 1 1 2 2 1 6 4 2 1 2 2 2 2 2 2 1 1 2 1 1 0 1 1 1 9 4 2 3 7 36 7 3 2 2 6 2 1 2 4 24 9 2 3 12 14 5 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 1 1 0 1 0 0 1 1 1 0 1 1 1 1 1 2 2 3 2 2 3 2 2 3 2 1 6 10 25 25 26 31 21 10 4 8 8 8 8 3 1 0 1 1 0 0 1 1 0 0 1 1 0 0 0 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 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 1 0 0 0 1; 1HNMR: 98 97 s 1H \| 73 73 m 2H \| 73 72 dt 2H J 9 83 \| 67 67 dq 1H J 12 22 \| 65 64 p 1H J 12 \| 38 38 q 2H J 10 \| 22 22 t 3H J 12	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(Cc2ccccc2)(C(=O)c2ccc3c(c2)CC(=O)N3)C1	ir: 1 1 9 6 3 28 47 13 7 7 15 19 5 9 3 8 1 2 14 4 2 3 66 6 1 55 2 1 1 2 5 10 6 4 1 4 2 4 27 9 16 4 1 5 5 2 2 4 3 6 2 1 2 4 4 9 24 5 3 3 2 2 4 2 1 3 2 2 20 13 2 1 2 2 1 0 5 2 1 1 2 4 1 1 2 2 5 2 2 5 8 3 3 4 2 1 2 2 2 2 3 11 22 6 5 2 1 1 2 6 8 8 15 3 10 14 14 5 6 4 3 5 9 6 9 9 12 5 14 8 7 16 5 7 6 9 1 2 3 1 19 6 13 25 6 2 2 4 2 7 19 100 7 1 2 6 60 13 10 3 2 1 7 9 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 1 2 2 1 1 1 1 1 1 2 1 2 2 3 2 8 6 3 1 3 2 2 4 9 36 14 8 29 11 13 9 11 3 2 1 1 2 2 1 0 1 2 1 2 2 2 1 3 3 12 11 15 80 1 2 2 3 3 1 2 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 78 78 dd 1H J 9 18 \| 78 77 dd 1H J 20 82 \| 74 73 m 2H \| 73 71 m 3H \| 70 69 d 1H J 82 \| 40 39 dd 1H J 8 122 \| 37 36 m 2H \| 36 35 m 3H \| 30 29 dt 1H J 9 135 \| 27 27 dt 1H J 9 135 \| 22 22 ddd 1H J 31 49 128 \| 20 19 ddd 1H J 30 48 128 \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCNC(=O)OC1c2cc(Cl)ccc2C(=O)N1c1ccc2ccc(Cl)nc2n1	ir: 8 3 5 4 2 2 0 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 1 20 13 7 9 4 5 3 2 2 1 1 2 2 6 5 2 2 4 15 4 2 1 2 1 0 1 2 1 1 2 9 15 1 2 2 1 0 2 2 5 3 20 12 2 1 1 2 2 2 2 5 5 1 1 1 1 1 1 1 2 1 3 3 2 1 1 1 1 6 8 2 1 2 2 1 1 4 3 2 2 3 2 2 0 1 2 6 0 3 4 4 2 3 2 3 4 4 3 2 4 2 3 4 6 4 1 1 1 2 5 1 1 1 4 3 2 4 2 9 100 9 5 2 9 36 3 0 2 4 16 3 3 17 6 1 2 2 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 2 3 3 4 5 38 16 4 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 6 5 12 7 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 82 81 d 2H J 88 \| 80 79 d 1H J 86 \| 77 77 dd 1H J 8 21 \| 76 75 d 1H J 84 \| 75 74 m 2H \| 73 73 s 1H \| 54 53 t 1H J 52 \| 31 31 q 2H J 57 \| 16 15 p 2H J 60 \| 14 13 h 2H J 66 \| 10 9 t 3H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)c1nnc2ccc(N3CCN(Cc4cccc(Cl)c4)CC3)nn12	ir: 0 8 4 15 9 5 7 5 4 7 9 5 5 5 5 4 6 8 6 6 3 4 10 21 28 6 17 15 27 12 15 4 6 4 5 5 3 5 5 5 9 8 9 9 12 5 16 47 7 4 8 3 6 5 4 4 16 19 46 61 14 11 6 2 9 37 18 9 22 12 4 5 17 13 5 7 9 16 9 5 25 11 13 6 46 30 77 13 8 8 6 7 19 7 6 5 48 38 65 24 13 8 14 5 6 21 9 35 6 4 3 6 9 9 6 4 5 6 12 8 4 11 15 9 10 14 11 9 4 6 6 7 10 22 10 9 6 6 9 30 34 10 8 14 100 28 33 8 4 9 14 35 26 20 52 8 5 5 4 7 10 86 8 5 3 4 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 4 3 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 4 4 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 2 3 4 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 4 4 4 4 4 7 4 5 4 5 6 4 5 8 9 16 25 23 77 19 38 15 7 8 5 9 4 6 8 4 3 4 4 4 3 3 4 3 3 4 4 3 3 3 4 3 3 3 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 2 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; 1HNMR: 78 78 d 1H J 88 \| 74 73 ddd 1H J 13 20 79 \| 73 72 m 4H \| 36 36 t 2H J 9 \| 36 35 t 4H J 41 \| 30 29 dt 2H J 41 115 \| 29 28 dt 2H J 41 115	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)c(Oc2nc(C(C)(C)C)ncc2C(=O)O)c(C)c1	ir: 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 4 3 1 3 3 8 27 100 2 6 2 2 4 1 1 1 1 1 2 1 2 3 8 10 14 9 5 4 3 3 3 2 1 2 1 0 0 1 1 0 1 1 1 1 2 6 3 3 1 1 0 2 1 2 1 1 1 5 8 1 2 3 14 9 1 1 1 6 1 1 0 1 1 4 5 1 1 1 1 4 2 1 0 0 1 2 1 1 2 1 1 1 1 1 0 0 1 1 2 1 1 1 2 2 1 1 1 2 1 1 1 5 7 3 2 2 9 1 1 1 1 0 1 1 1 0 0 2 17 12 1 6 31 27 4 0 0 1 1 1 1 2 1 3 27 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 0 0 1 1 1 2 3 3 4 3 7 5 4 2 1 1 1 1 1 1 5 58 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; 1HNMR: 85 85 s 1H \| 69 69 s 2H \| 23 23 s 3H \| 21 21 s 7H \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1ccc2c(c1)OC(C(F)(F)C(F)(F)F)C(C(=O)O)=C2	ir: 1 1 1 0 0 0 2 0 0 2 1 1 1 5 13 1 1 1 1 1 5 4 27 10 5 1 2 0 0 1 1 0 0 1 1 0 1 1 1 1 3 6 3 1 1 1 0 1 1 1 1 0 1 4 1 4 1 1 1 1 2 1 2 1 1 1 2 4 2 2 2 1 1 1 0 0 1 10 100 11 2 1 1 2 0 0 1 3 2 1 2 1 1 3 2 1 1 3 1 1 1 16 2 0 0 0 1 2 3 2 0 1 1 1 1 1 1 3 2 1 1 1 1 2 13 1 1 1 1 2 1 1 5 1 0 0 1 0 0 0 0 0 1 1 1 1 3 47 3 5 1 1 1 0 1 2 1 0 3 1 0 0 0 0 2 1 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 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 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 0 1 1 1 1 5 3 3 7 7 2 2 1 1 1 0 0 12 100 11 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 d 1H J 18 \| 75 74 d 1H J 86 \| 72 71 dd 1H J 22 86 \| 70 70 d 1H J 21 \| 60 59 tp 1H J 18 115 \| 13 13 s 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CNC(=O)c1ccccc1)c1ccoc1	ir: 2 2 1 1 1 1 2 1 1 1 2 4 2 1 1 1 1 1 1 1 1 1 2 2 2 2 1 3 6 8 11 5 4 5 6 100 36 49 6 3 1 3 2 0 3 3 2 1 2 2 1 2 4 1 1 0 1 2 1 0 3 4 4 5 2 3 4 4 4 3 2 1 1 1 1 3 2 2 2 7 9 1 1 1 3 4 1 1 1 1 1 1 2 1 0 11 11 2 2 2 1 1 1 1 1 1 1 2 4 2 2 2 3 2 2 1 1 1 3 3 2 2 3 6 4 7 16 86 6 4 2 2 2 2 5 2 1 1 3 5 14 29 26 17 18 5 14 23 25 12 2 1 1 1 1 3 2 2 4 5 1 2 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 2 1 1 1 1 1 1 3 4 5 12 9 32 15 9 8 2 2 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 3 6 17 30 10 9 2 2 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 1 1 1 1 1 1 1 1 1 1 1 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: 81 81 dd 1H J 8 17 \| 78 78 m 2H \| 77 77 t 1H J 60 \| 76 76 t 1H J 17 \| 75 75 m 1H \| 75 74 m 2H \| 70 70 dd 1H J 8 19 \| 49 49 d 2H J 59	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc(Nc2ccccc2)nc2[nH]c(=O)c(-c3c(Cl)cccc3Cl)cc12	ir: 4 4 3 5 3 4 5 3 17 7 2 3 1 6 4 3 2 3 6 3 4 8 5 7 11 5 28 5 5 4 2 2 2 12 3 3 2 5 21 12 19 56 23 16 86 16 26 16 9 7 3 5 3 4 3 2 5 3 3 4 2 2 4 4 4 3 3 9 7 3 3 4 3 1 1 3 3 1 2 2 3 1 2 1 1 2 1 1 1 1 1 2 3 11 1 1 2 12 3 13 2 2 3 23 14 2 2 1 2 2 2 2 2 2 6 3 1 1 2 2 2 1 1 2 1 2 1 1 1 1 1 7 3 1 8 3 3 3 7 10 3 4 3 5 7 15 22 43 76 12 4 4 3 19 71 5 5 2 2 1 1 6 31 9 4 5 3 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 2 3 12 20 25 12 6 5 1 2 2 1 2 2 1 1 2 2 2 2 6 8 13 4 7 8 9 5 15 100 19 5 5 45 38 6 1 0 2 2 1 1 3 1 0 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1; 1HNMR: 89 89 s 1H \| 83 83 s 1H \| 77 77 m 2H \| 75 75 d 2H J 82 \| 74 73 dd 1H J 77 86 \| 73 72 m 2H \| 69 68 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(-c2cccc(Cl)c2)cc(F)c1I	ir: 2 1 1 3 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 5 2 2 1 1 5 2 3 5 2 1 1 1 1 1 1 1 1 1 1 1 1 2 23 5 2 1 1 1 2 1 0 2 2 1 1 1 1 2 1 5 32 100 28 10 21 12 2 3 7 2 3 2 6 2 2 2 2 3 11 1 2 1 1 1 1 3 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 2 1 16 3 1 1 2 2 1 2 2 5 2 2 2 2 3 1 1 1 1 2 5 10 1 1 1 13 1 2 1 1 1 2 6 5 9 8 22 2 29 2 2 1 1 2 7 5 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 3 6 11 0 19 99 15 8 9 0 3 3 4 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 75 t 1H J 21 \| 75 73 m 3H \| 71 70 m 2H \| 39 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccsc1-c1ccc(C(C)C(=O)O)cc1	ir: 1 1 2 2 2 3 5 4 1 2 4 4 2 13 3 11 13 23 9 21 21 84 42 26 13 7 13 6 2 3 3 3 1 2 1 2 1 2 1 1 2 2 3 16 8 10 3 2 2 5 3 2 4 20 18 19 11 2 1 1 1 2 1 1 2 2 2 0 3 7 5 2 2 2 3 6 4 26 10 40 6 5 3 3 2 3 6 4 4 4 15 2 2 2 2 4 4 6 3 1 1 1 1 2 1 3 1 1 2 1 0 3 4 6 5 6 3 3 3 4 5 3 4 4 2 4 3 6 4 7 4 3 24 10 2 2 2 1 2 4 3 5 97 4 45 1 2 3 2 3 28 7 12 4 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 2 1 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 1 0 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 8 2 4 2 5 6 9 26 14 26 12 52 3 3 2 5 30 94 88 100 16 4 5 1 0 1 2 1 0 1 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 76 76 m 2H \| 73 73 m 2H \| 72 72 d 1H J 59 \| 69 69 m 1H \| 38 37 q 1H J 71 \| 24 24 d 3H J 7 \| 15 14 d 3H J 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=CBr)c1ccc(F)cc1F	ir: 2 1 0 1 2 1 2 2 3 2 1 2 4 1 0 2 2 1 2 2 1 1 1 3 1 1 0 1 1 0 0 1 1 2 1 3 2 2 2 2 1 0 1 3 2 0 1 1 1 1 1 2 3 6 32 14 4 3 5 3 2 1 2 6 10 19 11 16 17 7 5 4 1 1 2 2 1 1 1 2 1 1 1 1 1 2 5 3 2 17 6 7 0 0 2 1 0 0 2 1 0 1 2 1 2 1 2 1 0 1 2 2 1 5 5 3 2 4 5 3 0 1 1 5 2 1 2 1 1 1 2 4 3 6 3 1 1 3 2 6 10 7 6 2 1 4 6 5 7 12 3 13 15 3 2 2 2 1 1 1 2 1 7 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 2 2 2 0 1 1 1 1 1 2 3 3 5 7 9 16 32 77 100 7 4 4 1 1 1 2 2 1 2 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 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: 73 72 dt 1H J 50 78 \| 69 68 ddd 1H J 27 77 102 \| 68 67 td 1H J 27 121 \| 63 62 q 1H J 13 \| 22 22 d 3H J 15	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

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