Datasets:

DeerEyeRain
/

sel_dataset

Dataset card Data Studio Files Files and versions Community

Split (2)

train · 715k rows

Output stringlengths 5 127	Input stringlengths 850 1.64k	Instruction stringclasses 1 value
O=C(NCC(F)F)c1cc(F)c(Cl)cc1F	ir: 2 1 1 2 3 1 1 1 1 1 1 1 2 2 1 1 1 1 1 4 2 1 1 1 2 4 5 11 3 1 2 6 41 6 3 2 3 1 1 1 1 2 4 28 19 3 4 20 9 15 5 5 2 4 2 1 1 1 1 1 1 1 1 1 1 1 2 9 9 21 4 1 2 3 3 11 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 3 7 1 1 1 1 1 1 1 1 2 2 1 3 4 1 1 1 1 1 1 1 3 5 6 15 13 4 3 1 18 9 2 2 2 1 1 1 2 0 33 0 1 1 1 1 4 4 7 10 3 18 100 28 16 6 3 12 13 3 0 1 2 1 0 1 3 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 1 1 1 1 1 2 7 1 2 7 83 19 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 3 2 5 35 29 8 8 19 20 7 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 tt 1H J 29 61 \| 76 76 dd 1H J 46 121 \| 74 74 dd 1H J 44 121 \| 61 60 t 1H J 34 \| 38 37 tdd 2H J 35 62 172	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCC(CCCCOc2ccc(Cl)cn2)CC1	ir: 2 2 4 6 5 2 2 1 2 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 2 1 2 2 2 2 2 2 7 4 24 7 6 3 3 3 4 2 2 1 1 0 1 3 2 3 17 19 34 30 19 14 5 1 3 1 1 2 2 4 2 6 1 8 5 36 9 8 2 4 10 13 3 4 5 9 18 46 4 7 2 3 3 2 3 11 13 4 4 3 4 3 3 14 7 4 6 2 4 3 3 10 10 10 33 10 6 3 3 4 3 2 2 4 4 7 0 4 3 1 2 2 4 3 1 2 2 3 4 7 8 5 12 100 0 12 3 1 0 2 1 1 5 10 7 6 2 4 1 2 2 1 2 4 29 36 6 1 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 3 1 2 2 2 2 2 2 2 3 7 7 8 4 6 9 8 5 3 1 2 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 d 1H J 20 \| 76 76 dd 1H J 19 87 \| 69 68 d 1H J 87 \| 43 42 t 2H J 67 \| 27 25 m 4H \| 23 22 s 2H \| 18 17 m 4H \| 16 13 m 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Sc1ccc(C2CO2)cc1	ir: 1 1 1 2 3 2 2 6 3 2 1 1 22 18 2 1 1 1 1 1 1 1 1 1 1 2 3 2 2 1 2 3 3 20 14 40 57 53 13 8 4 2 2 5 5 6 4 2 3 31 29 3 6 9 18 23 26 4 4 3 1 0 1 2 1 0 1 2 10 3 2 2 6 12 7 6 5 3 3 4 8 7 6 2 1 1 5 4 6 13 4 3 1 2 2 4 19 9 3 2 2 4 17 13 61 14 5 13 8 3 2 3 1 1 2 1 1 3 10 5 6 5 3 20 18 3 3 3 2 3 4 1 1 1 1 1 1 1 2 1 2 8 11 8 6 8 4 6 12 64 20 9 10 10 5 2 1 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 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 3 3 4 1 1 2 1 1 2 4 4 9 16 11 23 23 12 50 72 100 27 10 10 10 4 9 4 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 73 73 m 2H \| 72 72 m 2H \| 40 40 td 1H J 13 21 \| 36 35 p 1H J 56 \| 35 35 dd 1H J 24 81 \| 32 32 dd 1H J 24 81 \| 13 13 d 6H J 56	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1nc(C2CC2)c2nc(Cl)ccc2n1	ir: 3 2 0 2 3 2 0 7 4 5 1 7 24 5 9 36 20 5 4 7 9 3 3 3 7 4 4 3 7 2 2 12 14 21 4 4 5 10 13 2 7 6 24 22 6 13 23 6 9 0 2 6 3 1 18 7 3 2 3 5 33 7 4 5 3 2 3 5 2 4 18 3 3 3 8 12 2 2 3 3 2 1 2 2 1 1 8 6 1 2 2 2 2 2 3 7 2 4 4 2 1 2 3 3 1 2 10 2 1 2 3 2 1 2 9 5 5 12 6 4 4 7 5 3 2 2 2 2 2 2 2 7 15 3 3 2 2 2 3 13 16 4 2 11 10 100 33 15 43 24 26 20 22 6 26 5 2 4 2 0 2 8 27 1 2 3 2 1 2 3 2 0 2 3 2 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 0 1 2 2 0 1 3 2 0 1 3 2 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 3 3 2 1 1 2 2 1 2 3 3 12 6 10 14 9 3 9 25 1 7 10 3 1 2 3 2 2 2 3 2 1 3 3 2 2 3 6 4 19 11 26 15 15 5 4 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 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 1 2 1 1; 1HNMR: 82 82 d 1H J 81 \| 75 74 d 1H J 81 \| 25 24 p 1H J 61 \| 24 24 s 3H \| 10 9 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.
COC1=NCCCCC1CC1CCCO1	ir: 8 3 3 2 5 5 5 3 3 2 4 1 0 4 5 3 2 4 6 11 4 3 2 3 4 6 6 4 2 2 2 1 1 3 6 3 3 3 2 1 3 4 2 1 2 2 2 0 1 2 2 0 1 2 3 0 2 3 2 2 9 4 5 2 4 2 3 3 7 5 4 4 6 6 3 11 8 7 7 1 4 3 1 1 2 2 1 0 2 3 1 1 2 2 0 1 3 3 1 2 9 20 6 8 20 7 12 4 7 4 2 4 7 4 6 6 8 3 2 5 22 18 5 9 7 6 5 7 5 6 32 5 11 6 3 5 7 3 1 2 3 1 1 3 4 4 38 100 5 2 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 1 2 1 1 2 1 1 1 2 2 1 1 2 3 1 2 6 5 4 4 4 4 4 5 6 4 5 22 18 4 1 2 3 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 39 39 tt 1H J 38 49 \| 38 37 m 1H \| 38 37 s 3H \| 37 36 m 1H \| 34 32 m 2H \| 25 24 tt 1H J 73 84 \| 21 20 dddd 1H J 39 65 89 134 \| 20 19 m 1H \| 20 19 m 1H \| 19 18 m 3H \| 17 15 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC=Cc1ccc(OCc2c(C(C)C)cnn2-c2c(Cl)cccc2Cl)cc1C	ir: 3 2 0 3 2 7 31 5 1 2 2 2 1 1 2 2 5 5 4 12 12 3 3 3 3 2 1 2 2 0 0 2 2 2 1 1 2 1 0 2 12 11 7 2 3 1 27 23 4 2 4 3 19 10 15 19 3 2 4 3 4 5 3 4 9 6 6 6 9 6 13 23 13 7 20 7 16 15 18 15 4 11 9 3 1 7 10 6 8 6 10 3 1 1 2 2 2 7 10 6 5 3 3 6 17 15 8 8 1 2 2 2 1 2 3 4 2 13 14 10 2 6 12 4 1 4 3 5 6 15 6 7 3 2 2 7 6 14 26 11 8 4 25 6 3 2 2 1 2 9 8 3 6 6 17 3 20 2 2 4 7 6 1 1 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 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 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 2 3 2 2 2 3 3 3 2 2 4 2 6 11 5 31 15 24 100 52 11 7 5 3 1 2 2 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 75 74 d 1H J 7 \| 74 74 m 2H \| 74 73 dd 1H J 66 81 \| 71 71 dd 1H J 7 82 \| 69 68 dd 1H J 22 82 \| 67 67 d 1H J 20 \| 66 65 dq 1H J 10 137 \| 59 58 m 1H \| 55 54 s 2H \| 36 36 d 3H J 9 \| 32 31 pd 1H J 7 69 \| 24 24 s 3H \| 14 14 d 6H J 69	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(CCCO)C(=O)OCC1c2ccccc2-c2ccccc21	ir: 4 6 7 11 9 14 11 15 14 26 10 16 6 8 18 27 16 11 8 7 4 2 2 3 4 3 3 6 4 3 5 1 5 4 5 2 3 5 13 9 11 33 22 6 4 3 3 3 2 4 2 1 1 2 1 1 2 1 2 1 2 2 1 2 3 2 3 3 3 2 2 5 22 27 3 10 4 2 3 4 7 7 8 15 26 10 13 15 30 24 40 23 16 14 7 13 17 9 7 5 7 4 1 3 1 3 1 1 4 5 4 6 3 5 4 4 3 5 5 5 3 13 17 10 9 10 4 7 8 3 3 4 5 3 5 27 14 12 6 4 13 2 3 3 2 1 1 4 5 33 100 33 1 2 2 1 1 1 1 1 2 1 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 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 0 1 0 0 1 1 1 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 0 0 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 5 4 4 14 11 8 23 51 46 15 5 5 9 6 6 9 7 4 2 2 2 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 0 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 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; 1HNMR: 78 77 m 2H \| 77 76 ddd 2H J 7 15 77 \| 76 75 td 2H J 13 78 \| 74 74 td 2H J 14 78 \| 44 44 d 2H J 51 \| 43 42 ddd 1H J 8 44 51 \| 41 40 m 1H \| 37 36 q 2H J 59 \| 32 32 t 2H J 64 \| 30 29 s 2H \| 19 18 p 2H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1OC(c2ccc(F)cc2)C(Cc2ccc(C(F)(F)F)cc2)N1Cc1cccc2ccccc12	ir: 3 7 4 3 3 3 3 4 3 8 16 3 8 3 6 9 3 4 10 8 7 3 2 1 1 2 3 1 2 2 3 1 2 4 2 1 2 3 2 2 4 10 2 5 6 69 11 9 6 1 8 10 5 0 92 52 36 8 2 1 2 3 1 0 2 3 15 2 3 3 5 5 2 3 3 3 4 3 2 2 3 2 2 1 2 8 12 4 3 2 2 4 4 8 4 8 32 11 2 24 19 3 2 3 4 6 6 4 3 3 3 6 26 3 3 3 6 4 7 11 6 12 3 10 6 7 20 7 3 3 6 10 2 3 3 7 8 5 1 4 3 2 2 2 3 4 5 15 10 14 82 8 16 6 2 2 2 3 2 4 2 2 2 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 2 3 2 3 5 3 4 10 28 100 23 33 12 6 3 5 2 2 2 3 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 81 m 1H \| 79 79 m 1H \| 79 78 ddd 1H J 15 32 63 \| 76 75 m 4H \| 74 73 m 4H \| 72 72 dt 2H J 10 73 \| 71 70 m 2H \| 56 55 dt 1H J 8 48 \| 51 50 d 1H J 141 \| 48 47 d 1H J 141 \| 42 41 td 1H J 48 69 \| 31 31 ddt 1H J 8 68 132 \| 29 28 ddt 1H J 9 68 132	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCCC1CNC1	ir: 15 12 11 10 3 6 10 5 5 13 15 7 2 7 9 4 2 7 8 6 6 9 9 8 22 60 58 48 61 20 12 6 6 9 8 4 7 12 8 5 6 10 6 3 4 8 6 8 7 9 9 4 7 8 6 4 7 11 17 9 15 14 12 20 20 26 34 43 100 81 10 5 14 20 16 6 20 24 8 10 27 24 12 27 53 60 14 9 13 16 5 9 16 10 9 8 17 47 57 44 79 62 68 26 9 9 7 8 6 14 17 31 30 11 4 8 11 14 7 12 24 19 10 9 7 7 7 14 9 19 9 9 8 11 13 8 9 7 18 28 17 16 22 23 20 86 81 47 38 52 83 13 9 0 3 11 8 0 6 11 6 1 4 9 6 0 4 10 5 0 5 10 5 0 5 9 4 1 5 9 4 1 5 8 4 2 6 8 3 2 6 7 3 2 7 7 3 3 7 7 3 3 7 6 2 3 7 6 2 3 7 6 3 5 8 6 2 4 8 5 1 4 8 5 1 5 9 5 1 5 8 5 1 5 8 4 2 5 8 4 2 6 7 5 2 6 7 4 2 6 7 3 3 6 7 3 3 7 7 3 3 7 6 3 4 7 6 3 5 8 10 4 6 11 6 3 6 11 7 4 7 14 11 23 28 22 9 2 6 9 5 2 5 8 5 3 7 9 8 7 10 10 5 3 7 10 11 43 41 56 49 53 74 48 13 7 8 8 5 4 7 6 3 4 7 6 3 4 7 6 3 4 7 5 3 6 9 6 2 4 7 5 2 5 7 4 2 5 7 4 2 5 7 4 2 5 7 4 3 5 6 4 3 5 6 4 3 6 6 3 3 6 6 3 3 6 6 3 4 6 5 3 4 7 5 3 4 7 5 3 4 7 5 2 4 7 5 2 4 7; 1HNMR: 53 52 t 1H J 51 \| 31 30 m 5H \| 28 27 ddd 2H J 32 42 114 \| 20 19 tt 1H J 31 57 \| 19 18 p 1H J 42 \| 16 16 dt 2H J 43 57 \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1ncn(-c2ccc(Cl)cc2Br)n1	ir: 4 6 7 11 4 3 4 3 4 5 13 15 6 2 3 3 7 8 3 4 4 4 3 4 4 3 3 3 3 3 3 3 4 5 12 6 5 17 8 5 3 2 3 3 3 3 3 4 4 3 5 3 4 15 14 7 13 5 3 4 3 2 3 3 3 3 16 15 6 1 3 7 40 15 2 2 7 30 47 50 7 6 12 16 9 10 8 4 3 4 4 3 3 5 3 3 10 10 3 3 2 2 4 3 2 2 3 2 2 3 7 3 2 2 3 2 9 7 3 3 3 3 3 2 2 2 2 3 3 12 16 3 2 3 3 2 2 4 37 19 16 3 2 2 2 3 4 4 11 6 3 6 6 2 2 2 2 3 3 4 2 3 2 2 2 3 2 2 2 3 2 2 2 3 3 3 2 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 3 3 3 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 3 3 2 2 2 2 2 2 3 3 4 3 2 4 5 3 3 2 2 3 2 2 2 2 3 2 2 2 3 3 2 2 3 4 3 19 28 8 13 3 2 5 5 2 0 40 100 13 6 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 3 3 2 3 2 2 4 3 2 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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; 1HNMR: 90 90 s 1H \| 85 85 s 1H \| 76 76 m 2H \| 73 73 dd 1H J 21 85	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1cnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1ccc(-c2ccno2)cc1	ir: 1 2 2 1 1 2 2 2 1 2 3 4 3 8 7 2 2 6 6 12 8 8 3 4 2 4 5 3 2 3 3 2 4 6 3 2 2 2 2 2 2 3 3 8 7 14 39 20 12 6 17 21 7 3 4 9 17 36 5 1 4 4 12 2 6 3 2 1 4 2 2 1 4 10 3 1 2 3 5 8 7 2 4 2 2 7 4 1 1 2 1 1 1 2 2 1 2 2 2 1 2 1 1 2 9 14 7 6 4 4 3 2 4 2 2 1 2 2 1 1 2 3 3 5 4 4 2 2 2 4 5 16 5 10 12 11 4 4 11 9 4 5 12 5 4 8 21 14 6 3 3 4 5 9 5 4 2 10 100 13 15 13 3 2 2 21 4 3 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 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 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 2 1 1 1 2 1 1 1 2 2 2 2 2 3 7 8 7 6 2 2 1 1 2 1 1 1 2 2 15 12 3 9 40 3 4 5 44 11 20 33 31 20 6 6 12 10 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 98 97 s 1H \| 87 86 s 1H \| 82 82 d 1H J 18 \| 81 81 s 2H \| 78 77 m 2H \| 75 74 m 2H \| 67 67 d 1H J 18 \| 61 60 d 1H J 77 \| 39 38 m 1H \| 34 33 m 1H \| 20 19 m 3H \| 18 17 dddd 1H J 22 62 87 148 \| 17 14 m 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)c1cccc(CN2Cc3ncnc(Nc4cnc5ccccc5c4)c3C2)c1	ir: 7 5 5 7 10 9 8 17 18 11 3 4 6 4 4 5 8 6 8 7 17 14 26 13 9 3 4 5 8 10 7 19 15 11 11 93 100 23 14 7 20 11 22 17 8 22 8 12 26 14 9 6 4 5 4 4 5 5 6 19 32 15 5 10 5 5 8 9 14 6 8 5 8 6 7 10 8 41 7 6 5 5 4 4 10 9 13 10 14 10 17 27 5 12 15 7 4 14 26 16 20 12 5 6 6 4 6 8 5 15 18 12 0 79 12 5 5 4 3 6 8 7 6 14 5 4 7 13 5 5 7 6 8 4 3 4 4 16 8 11 63 28 7 5 5 13 53 51 22 9 11 61 4 13 9 22 48 9 5 1 50 19 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 3 4 4 3 4 4 5 10 10 10 37 75 29 6 5 4 4 5 5 4 3 3 4 3 3 3 4 5 6 6 6 6 5 47 65 44 18 12 12 8 4 3 3 3 3 3 3 4 4 3 3 3 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2; 1HNMR: 88 88 d 1H J 16 \| 87 87 s 1H \| 84 83 s 1H \| 80 80 dd 1H J 14 76 \| 77 76 m 2H \| 76 75 m 2H \| 75 75 m 2H \| 75 74 td 1H J 15 84 \| 74 73 ddq 1H J 10 21 77 \| 43 43 s 2H \| 39 38 s 2H \| 37 37 t 2H J 8	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCN(CC)C(=O)[C@@H]1C=C2c3cccc4c3C(O)(C[C@H]2N(C)C1)C(=O)N4	ir: 10 6 7 8 6 6 6 5 4 7 12 7 5 7 11 9 8 15 9 10 5 8 7 11 5 6 5 9 12 8 6 5 10 24 18 8 9 7 9 5 5 6 6 4 5 9 18 26 13 9 5 4 4 5 10 19 5 7 4 7 5 3 7 5 6 7 8 5 5 7 5 7 10 19 8 9 6 7 4 5 6 5 8 13 8 11 16 46 21 19 13 30 11 7 6 9 9 6 8 7 9 13 8 20 10 12 13 6 6 11 7 9 5 9 8 10 7 5 8 4 9 8 12 20 16 13 9 9 7 10 5 4 5 4 3 8 7 6 5 7 7 8 6 10 16 11 11 18 9 6 6 4 6 46 9 2 3 7 7 91 14 0 8 8 4 2 3 5 3 2 3 4 3 2 3 4 3 2 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 4 4 3 4 4 5 5 6 8 9 6 5 6 7 5 10 5 10 17 13 12 14 24 9 7 7 7 6 13 100 21 6 5 4 5 5 4 4 4 5 4 5 9 9 12 18 29 13 7 5 8 5 4 3 5 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 80 80 s 1H \| 74 73 dd 1H J 13 71 \| 73 72 dd 1H J 14 74 \| 72 72 t 1H J 73 \| 61 60 m 1H \| 42 41 q 2H J 66 \| 40 40 s 1H \| 40 39 dddd 1H J 14 24 50 76 \| 35 33 m 2H \| 33 32 m 2H \| 32 31 m 2H \| 29 28 m 1H \| 26 26 t 2H J 71 \| 24 23 d 3H J 14 \| 22 21 dd 1H J 80 129 \| 20 19 dd 1H J 51 128 \| 13 12 t 3H J 66 \| 12 11 t 3H J 74	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c1	ir: 5 2 2 3 4 4 10 7 3 10 12 13 4 1 1 7 9 5 2 3 3 1 1 1 1 1 1 1 2 2 2 14 6 5 4 4 6 18 16 41 100 6 3 8 2 2 4 17 10 1 2 1 2 0 1 2 1 1 2 2 1 1 8 12 10 20 9 6 7 2 6 3 1 0 2 2 1 2 5 2 1 1 6 7 43 80 5 22 12 3 2 2 1 1 1 1 0 1 5 6 1 1 1 4 7 9 3 4 1 4 4 13 6 5 3 3 2 4 29 29 9 22 5 10 8 12 5 4 2 3 6 4 23 6 9 13 6 4 17 8 14 3 2 1 1 2 1 1 1 1 1 2 3 3 39 12 9 1 2 2 2 2 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 2 3 6 4 3 1 1 3 2 1 2 5 12 6 16 63 36 4 3 4 1 1 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 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 79 78 dd 2H J 31 51 \| 77 77 dd 2H J 31 51 \| 77 77 ddd 1H J 13 22 84 \| 75 74 dd 1H J 78 85 \| 73 73 t 1H J 21 \| 70 69 ddd 1H J 11 22 79 \| 43 42 t 2H J 70 \| 38 38 s 2H \| 32 32 t 2H J 98 \| 23 22 tt 2H J 69 97	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cccc2oc(-c3cc4ccccc4s3)nc12	ir: 3 4 2 2 2 2 2 3 6 12 8 5 7 20 26 6 9 7 12 68 44 16 9 11 4 3 2 2 3 2 2 2 2 2 3 2 2 3 14 5 45 3 39 3 3 6 4 19 18 1 9 7 17 12 5 2 3 3 4 3 4 2 2 2 2 2 3 2 3 3 2 2 3 3 8 23 37 49 24 4 3 7 7 9 6 4 3 4 2 3 3 8 3 4 6 2 2 2 2 7 2 2 2 2 3 3 2 2 2 3 4 2 2 2 2 2 2 2 2 13 7 3 1 25 2 2 2 2 2 2 3 3 12 26 15 21 11 9 8 7 25 5 2 4 27 2 2 2 2 3 15 0 2 2 2 2 2 9 12 4 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 1 2 1 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 2 2 2 2 2 1 1 2 2 1 2 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 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 3 7 5 27 100 16 7 3 3 6 3 2 3 4 65 5 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 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 80 79 d 1H J 21 \| 79 79 m 3H \| 76 76 dd 1H J 11 79 \| 75 74 m 2H \| 74 74 dd 1H J 78 86	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Cn2cnc3c(CCl)c(Br)cnc32)cc1	ir: 2 4 4 5 11 8 9 6 5 7 13 8 15 11 8 11 13 18 46 6 3 13 6 20 10 10 13 4 8 7 6 5 5 11 15 3 5 6 5 11 17 100 5 6 4 5 4 10 4 6 9 15 10 4 35 44 14 26 7 6 8 6 6 7 5 3 5 9 3 57 6 3 4 6 4 2 4 9 3 2 3 4 2 2 4 3 2 6 11 7 7 14 8 6 7 26 4 9 28 7 5 6 36 7 9 7 18 7 6 4 4 6 20 11 6 3 3 3 5 10 9 6 34 13 11 13 11 4 6 6 5 4 11 9 3 3 3 6 36 4 3 2 2 3 4 5 3 19 68 38 12 8 34 11 39 13 6 18 2 2 2 18 1 6 3 0 2 5 3 1 2 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 4 2 2 4 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 2 3 3 2 2 4 3 2 3 3 5 14 4 4 4 3 3 3 8 6 32 7 22 61 30 17 11 2 5 8 5 3 4 4 2 2 3 3 2 2 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 3 3 2 2 3 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 1 2 3; 1HNMR: 85 85 s 1H \| 80 79 d 1H J 9 \| 73 72 dt 2H J 8 74 \| 69 69 m 2H \| 55 55 q 2H J 9 \| 52 52 s 2H \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccc2c(c1)C(C)(c1ccccc1Cl)C(=O)N2	ir: 3 2 3 4 2 5 11 27 28 9 30 31 12 17 20 5 2 1 2 4 6 5 5 4 10 15 15 3 2 4 20 31 43 17 4 4 10 8 4 25 11 53 26 13 4 0 2 3 2 1 2 6 6 23 21 21 15 0 4 7 2 2 3 8 13 3 4 13 12 7 4 4 3 11 14 6 5 7 5 2 6 7 10 7 3 1 3 3 3 4 3 3 3 1 3 2 1 2 2 4 8 16 10 8 26 14 10 12 2 2 2 2 1 4 3 7 7 6 4 2 3 4 3 6 8 7 3 2 3 2 7 9 7 4 3 2 13 13 4 2 4 19 12 13 2 2 2 1 6 78 8 2 3 14 10 71 73 13 2 4 4 3 13 5 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 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 1 2 3 5 2 1 2 2 2 1 2 3 3 3 6 5 9 9 22 99 65 23 7 4 4 4 3 3 2 1 2 2 1 2 2 2 1 2 6 4 7 11 13 100 46 12 5 3 5 3 2 2 1 2 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0; 1HNMR: 95 95 s 1H \| 75 74 dd 1H J 15 73 \| 74 73 m 4H \| 71 70 d 1H J 22 \| 69 68 dd 1H J 22 81 \| 41 41 q 2H J 66 \| 17 17 s 2H \| 15 14 t 3H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CCCCCCC(=O)C(F)(F)F)Nc1ccccc1	ir: 6 2 3 2 2 2 2 7 10 9 10 5 4 1 3 12 2 15 12 4 4 2 4 9 7 4 4 12 18 13 12 19 3 5 28 13 12 17 27 41 49 73 29 13 15 13 7 1 11 13 4 4 4 6 4 3 5 0 7 2 2 1 3 3 2 2 9 37 7 23 3 4 18 23 4 2 2 4 3 3 3 2 4 1 2 1 1 2 2 2 4 12 3 10 3 7 10 64 94 10 7 8 8 17 25 4 10 14 9 3 4 3 3 3 3 3 4 6 7 11 10 8 5 6 5 3 2 3 4 3 2 3 5 12 22 32 9 2 2 8 8 22 7 8 18 49 24 100 46 16 9 4 14 30 9 2 2 3 3 2 18 10 4 1 2 3 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 1 1 3 4 6 7 7 5 5 5 6 3 5 6 33 21 23 13 63 25 15 8 6 4 1 2 2 2 2 1 2 2 1 2 1 3 2 2 4 12 12 33 70 16 10 5 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 s 1H \| 76 75 m 2H \| 75 74 m 2H \| 72 71 tt 1H J 11 68 \| 26 26 tq 2H J 20 111 \| 24 23 t 2H J 83 \| 17 16 m 4H \| 14 13 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccccc1Sc1ccc2cc(Sc3ccccc3C(=O)O)ccc2c1	ir: 1 1 1 3 2 4 2 3 2 2 1 4 3 3 3 3 15 9 5 7 7 5 16 25 32 6 10 3 3 2 2 1 1 1 2 1 2 2 1 1 1 2 17 3 1 1 1 0 0 1 1 0 1 3 8 1 1 1 0 0 1 1 1 0 1 1 3 13 10 7 1 0 2 2 11 8 5 11 1 13 2 2 3 2 2 1 10 1 1 2 1 1 1 1 1 1 1 0 1 2 1 1 3 42 3 2 1 4 7 3 2 2 1 1 1 2 9 2 1 4 3 1 0 1 1 0 0 1 1 1 0 1 1 1 1 4 3 1 1 2 2 3 3 29 18 6 2 2 2 16 2 1 1 2 7 1 1 3 2 1 3 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 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 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 2 1 4 6 16 56 12 6 4 1 1 1 1 2 4 100 8 1 1 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 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 ddd 4H J 20 75 98 \| 78 78 t 2H J 21 \| 76 76 td 2H J 15 71 \| 75 75 ddd 4H J 20 33 69 \| 74 73 td 2H J 17 74	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(C2(C#N)CC2)cc1	ir: 2 1 2 1 1 1 3 2 1 2 1 1 5 2 1 1 1 2 4 2 4 5 6 7 17 6 16 20 4 12 6 2 2 2 5 2 1 3 3 8 47 23 7 1 8 6 7 48 6 3 6 12 3 38 40 63 15 7 3 3 3 15 1 2 1 1 1 2 1 11 2 1 2 1 1 1 5 2 1 2 3 3 3 1 1 1 2 2 7 5 1 1 3 8 1 1 3 7 12 4 2 1 1 1 1 2 1 18 6 2 0 1 2 3 3 5 6 3 1 2 3 2 5 36 31 5 6 2 2 1 1 1 2 30 3 3 2 1 2 4 2 6 4 2 2 2 3 8 38 25 4 7 9 5 4 9 100 12 9 7 3 2 5 8 16 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 2 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 21 3 3 6 12 11 38 16 10 78 12 14 4 3 2 3 2 1 1 1 2 1 2 1 2 1 6 4 10 4 6 48 10 4 3 2 2 1 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 79 78 d 1H J 57 \| 77 77 d 1H J 84 \| 76 75 m 6H \| 71 70 d 1H J 86 \| 38 38 s 3H \| 19 18 m 2H \| 16 16 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCNc1cc(C(=O)OCCCC)cc(S(N)(=O)=O)c1Nc1ccccc1	ir: 4 3 3 1 1 2 3 3 16 2 4 3 6 12 10 2 4 2 5 2 3 3 4 7 13 35 11 15 14 7 4 3 4 2 3 3 3 1 2 3 3 7 26 2 8 2 3 2 2 2 1 1 2 3 1 1 1 1 1 1 1 3 2 1 2 8 14 19 10 15 4 1 5 3 2 2 3 3 3 5 7 9 3 14 33 6 10 52 13 6 3 1 3 2 2 2 2 2 3 3 3 9 2 1 2 2 1 10 3 5 3 8 6 4 2 9 34 9 23 30 6 5 15 4 2 2 6 4 2 1 1 1 3 2 11 3 2 8 9 2 1 1 1 2 3 4 9 7 2 11 9 2 4 4 36 1 1 1 2 2 1 5 4 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 2 4 7 3 4 58 9 4 4 1 1 2 1 0 1 1 1 0 1 2 1 1 3 9 36 1 6 16 100 76 30 31 11 4 3 2 1 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 84 83 d 1H J 22 \| 80 80 s 1H \| 77 77 s 2H \| 74 74 d 1H J 22 \| 72 71 m 2H \| 69 68 m 4H \| 43 42 t 2H J 65 \| 34 33 td 2H J 46 57 \| 17 16 m 4H \| 15 13 m 4H \| 10 9 dt 6H J 69 84	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CCc2c(N3CCCCC3)c(F)cc3c(=O)c(C(=O)O)cn1c23	ir: 0 1 1 1 0 1 1 0 0 1 1 1 1 3 1 0 0 2 1 0 0 2 1 0 19 7 2 1 2 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 2 2 6 2 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 2 18 8 1 1 0 0 1 1 3 0 1 1 0 1 1 2 1 1 2 1 1 1 1 2 1 1 1 1 0 1 1 1 0 1 1 2 1 1 2 1 2 1 1 0 1 1 3 0 1 2 1 1 0 2 13 1 0 0 1 3 0 1 1 0 0 1 1 9 0 1 1 4 1 1 1 0 2 2 1 0 0 1 1 1 0 3 4 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 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 1 0 1 1 0 1 1 1 0 4 1 1 2 1 1 2 0 1 1 1 1 4 100 8 1 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 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 87 87 d 1H J 18 \| 81 80 d 1H J 121 \| 41 40 m 1H \| 35 34 t 4H J 47 \| 30 29 ddd 1H J 57 82 154 \| 29 28 ddd 1H J 57 83 152 \| 22 21 m 1H \| 19 17 m 6H \| 17 15 m 2H \| 13 12 d 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1C(O)c1cc(Cl)ccc1NC(=O)C(C)(C)C	ir: 3 5 11 7 18 16 27 21 9 39 34 9 2 8 2 2 3 4 5 2 1 2 5 0 1 2 21 8 3 4 1 2 3 2 8 6 2 4 5 4 5 7 30 69 23 25 14 8 7 15 10 1 3 4 11 11 12 7 4 3 14 6 11 4 8 4 5 3 2 2 1 2 2 1 4 3 4 4 3 3 6 4 3 15 9 14 6 13 73 55 15 41 7 4 1 4 10 17 8 6 22 5 1 1 2 2 2 1 2 2 1 4 4 4 3 7 4 2 1 4 9 9 7 2 6 6 4 7 4 4 3 3 2 1 1 1 11 17 19 25 4 6 15 6 3 3 25 9 12 100 21 7 37 19 26 44 5 1 2 12 6 1 5 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 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 2 2 1 1 1 1 1 1 2 2 1 3 4 6 9 8 6 37 78 42 9 7 4 4 3 32 21 11 3 1 1 1 1 1 1 2 2 3 3 12 16 22 57 33 6 3 3 2 2 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 90 90 s 1H \| 76 75 m 2H \| 74 73 ddd 1H J 6 14 80 \| 73 72 m 2H \| 70 70 m 1H \| 70 69 dd 1H J 12 82 \| 60 59 dt 1H J 8 53 \| 38 38 s 3H \| 33 33 d 1H J 53 \| 12 12 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(Cl)OC(=O)OC1CCCCC1	ir: 25 43 78 59 68 94 60 31 24 36 53 35 8 11 11 23 29 8 7 7 7 4 2 8 7 7 6 11 13 10 6 8 6 2 4 7 9 10 11 10 8 6 6 10 9 11 10 24 28 17 23 13 38 10 18 25 17 11 31 33 9 5 8 10 24 18 9 8 20 19 14 8 8 14 13 28 27 8 21 27 6 6 6 5 3 3 4 4 2 2 5 6 8 6 24 12 7 9 8 7 9 9 15 20 38 49 53 89 42 45 63 56 66 43 69 66 100 78 52 42 58 55 37 35 47 18 21 13 8 22 17 18 34 15 15 6 4 5 5 3 4 6 6 5 9 19 48 44 41 15 7 1 3 7 5 0 3 6 4 0 3 6 4 0 3 6 3 0 3 6 3 0 3 6 3 0 3 6 3 0 3 5 2 1 4 5 2 1 4 5 2 1 4 5 2 2 4 5 2 2 4 4 1 2 5 4 1 2 5 4 1 2 5 4 1 2 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 6 3 1 4 5 3 1 4 5 3 1 4 5 3 2 4 4 2 2 4 4 2 2 4 4 3 3 5 5 3 3 6 6 4 5 7 6 9 11 11 15 15 27 31 37 35 20 31 34 33 52 51 63 19 14 11 8 2 4 6 4 1 4 5 3 1 4 5 3 1 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 5 3 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 1 3 4 3 1 3 5 3 1 3 5 3 1; 1HNMR: 65 64 tq 1H J 14 43 \| 48 47 p 1H J 49 \| 23 22 dqd 1H J 44 68 134 \| 21 20 dqd 1H J 44 67 126 \| 19 18 dddd 2H J 50 61 83 134 \| 17 14 m 8H \| 11 10 td 3H J 15 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(Cc2cc(Br)ccc2O)c1	ir: 9 13 13 11 10 9 6 2 5 2 10 3 3 4 3 2 1 2 1 2 3 4 2 1 2 1 1 1 1 2 4 7 1 3 3 2 2 2 8 27 3 3 2 2 2 3 5 12 5 1 2 3 5 28 41 6 3 2 3 2 2 0 2 3 2 6 8 44 14 9 2 5 2 6 3 4 4 9 16 35 3 4 27 16 9 4 6 7 25 100 35 3 7 5 1 12 12 2 0 2 3 2 7 13 2 1 1 1 1 1 0 1 2 4 0 1 1 1 1 2 4 2 1 2 1 3 3 3 2 1 2 2 1 1 0 1 1 1 1 3 21 17 17 7 2 1 2 2 1 2 2 3 5 2 3 55 4 1 2 2 2 13 3 3 2 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 5 4 8 15 17 54 23 20 3 3 3 6 43 33 7 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 72 72 t 1H J 76 \| 72 72 d 2H J 75 \| 70 69 m 1H \| 68 68 ddd 1H J 12 22 75 \| 68 68 d 1H J 79 \| 67 67 tt 1H J 9 22 \| 49 49 s 1H \| 40 39 q 2H J 9 \| 38 38 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C1COC(CCOCCN2CCOCC2)C1	ir: 4 2 2 1 0 3 15 7 1 1 1 2 6 1 3 5 3 2 7 10 1 1 2 2 0 4 54 2 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 2 2 3 3 1 1 2 1 3 5 5 9 7 5 32 10 5 6 15 25 26 21 15 11 8 7 13 13 45 69 92 15 9 27 14 2 53 20 1 3 1 5 10 33 28 5 7 3 2 6 3 3 4 6 6 9 13 14 23 11 10 7 8 2 3 4 7 6 6 5 5 2 6 8 3 6 6 7 4 7 7 5 8 4 4 4 3 2 3 3 12 5 6 3 1 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 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 1 2 3 9 10 11 5 5 6 1 4 8 3 61 100 12 4 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 39 38 tt 1H J 34 46 \| 38 37 m 1H \| 37 37 m 4H \| 37 35 m 2H \| 35 35 t 2H J 60 \| 35 34 dt 1H J 65 114 \| 27 26 t 2H J 60 \| 26 25 dd 4H J 41 51 \| 21 20 dddd 1H J 35 60 81 128 \| 20 18 m 4H \| 17 16 dtd 1H J 46 65 143	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1nc(/C=C/C#N)ccc1-n1cnc(C)c1	ir: 2 1 3 2 2 0 0 0 1 1 1 0 0 1 4 2 1 1 0 0 1 0 3 1 2 4 2 1 1 1 0 1 1 2 1 1 18 8 12 5 1 1 3 4 1 1 5 3 3 4 8 1 1 2 1 1 2 3 1 2 2 1 3 9 15 10 10 10 6 1 4 3 17 5 2 41 33 25 7 2 3 1 1 5 6 2 2 9 4 20 8 8 1 1 2 10 3 15 4 1 2 1 1 2 3 12 44 8 7 40 22 3 3 2 2 4 2 4 5 10 5 4 4 6 6 12 32 62 6 3 2 1 1 1 2 2 1 2 1 2 2 1 1 11 10 5 10 7 25 21 4 2 1 1 2 1 1 1 1 1 0 0 0 1 1 1 1 2 1 3 4 8 1 1 0 0 0 1 0 0 4 10 1 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 0 0 0 1 0 1 1 1 2 2 5 5 1 1 2 1 1 2 3 1 4 6 7 24 69 42 43 90 66 100 29 13 4 1 2 1 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 m 2H \| 76 76 q 1H J 10 \| 76 75 dd 1H J 7 79 \| 72 71 d 1H J 136 \| 65 64 d 1H J 134 \| 40 40 s 3H \| 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.
NCCc1c[nH]c2c(Cl)cccc12	ir: 0 1 1 0 0 0 0 0 0 2 2 0 0 0 2 3 0 0 0 1 1 1 3 2 0 2 8 9 2 0 1 0 0 0 1 0 4 4 0 1 0 0 1 1 2 3 5 2 2 1 1 1 1 1 1 1 1 2 7 10 14 2 1 6 3 1 1 1 2 2 8 16 11 5 2 1 1 1 3 2 2 4 2 0 1 1 1 0 0 0 1 1 1 0 0 0 0 0 6 11 1 1 0 1 1 1 3 3 1 1 1 0 1 3 3 1 1 1 1 1 3 3 1 3 1 2 2 3 10 6 2 2 3 12 25 16 3 1 1 1 10 4 6 2 1 0 0 0 0 0 0 2 7 3 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 1 1 0 1 2 5 0 2 2 5 5 2 1 1 1 1 1 2 1 7 8 5 12 4 2 2 2 2 100 54 2 5 17 4 2 1 1 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 95 95 d 1H J 70 \| 76 76 dd 1H J 14 79 \| 73 73 dd 1H J 13 77 \| 72 72 t 1H J 77 \| 70 70 dd 1H J 8 69 \| 31 30 m 4H \| 18 17 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1nc2ccncc2n1Cc1ccc(F)cc1	ir: 7 8 7 43 17 31 18 14 28 30 19 19 10 5 5 6 5 7 11 9 28 8 6 5 5 5 7 7 8 4 5 10 7 6 7 23 39 16 10 11 8 6 5 8 8 31 9 11 9 9 56 11 17 17 32 23 11 7 13 16 13 6 17 18 7 4 5 6 7 6 8 10 6 17 54 18 9 6 7 6 5 5 5 6 7 21 7 12 10 6 6 9 73 31 12 16 21 69 22 32 16 13 8 5 5 5 5 5 5 5 6 47 23 5 7 5 4 7 13 17 60 13 11 14 12 9 6 7 15 17 24 19 9 9 10 5 4 5 5 5 6 16 7 6 4 12 25 61 61 38 16 38 38 9 10 15 7 4 5 8 7 0 100 4 5 8 5 3 5 6 4 3 4 6 4 3 5 6 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 5 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 5 4 5 5 5 5 8 7 5 5 6 6 7 7 15 13 16 87 42 89 11 15 11 9 9 7 8 6 5 7 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 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 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4; 1HNMR: 89 88 d 1H J 17 \| 86 86 dd 1H J 14 39 \| 78 78 d 1H J 40 \| 73 72 ddt 2H J 9 35 76 \| 71 70 m 2H \| 57 57 t 2H J 9 \| 40 40 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1nccs1)c1cn(Cc2cccc(Cl)c2)c2ccccc12	ir: 2 1 1 1 2 1 1 1 3 4 1 1 2 1 1 4 4 3 4 2 2 3 6 11 11 3 3 3 3 4 6 4 4 2 7 8 3 5 3 2 5 3 14 83 100 49 39 21 6 6 8 5 5 1 1 3 4 2 2 2 2 0 1 2 4 4 7 7 4 1 2 3 1 3 5 3 2 1 3 3 1 1 2 4 6 5 11 7 2 6 3 3 1 2 2 2 2 3 5 3 1 2 9 6 0 1 2 2 2 2 2 1 0 1 2 1 0 2 2 2 2 2 3 3 4 5 13 5 0 2 2 1 1 2 2 1 1 3 5 13 15 5 6 18 28 24 19 5 2 6 6 13 57 6 4 1 3 8 3 2 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 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 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 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 2 1 0 1 2 2 1 1 2 1 1 3 3 3 3 28 41 17 6 7 8 6 1 2 3 1 1 1 2 1 0 1 1 1 1 2 2 1 1 3 3 6 19 34 6 3 2 2 2 1 1 1 1 0 1 1 1 1 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 84 84 dd 1H J 15 73 \| 76 76 s 1H \| 76 75 dd 1H J 13 64 \| 75 75 d 1H J 44 \| 74 72 m 4H \| 72 72 m 2H \| 72 71 td 1H J 13 71 \| 55 54 q 2H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccc(C(F)(F)F)cc1)N1CCc2c(cc(O)c(O)c2Cl)C(c2ccccc2)C1	ir: 7 4 3 3 3 3 3 3 4 4 5 11 11 11 11 4 4 5 3 3 4 3 3 3 3 3 3 3 3 4 4 6 4 4 3 3 3 3 5 5 4 3 4 4 4 3 4 3 3 3 3 3 3 3 3 3 9 4 3 3 3 3 3 3 3 3 4 4 5 6 4 3 3 3 3 3 3 4 3 4 4 3 3 3 4 6 5 4 7 12 11 4 4 3 3 4 8 4 3 7 6 3 3 4 3 3 3 3 3 3 3 4 11 3 3 4 3 3 3 5 4 5 4 4 3 4 9 3 4 3 3 3 3 3 3 5 4 4 3 4 3 3 3 5 7 5 4 5 4 3 4 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 4 3 3 3 4 3 4 9 21 5 4 4 5 4 0 11 100 59 9 3 1 4 4 2 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 dq 2H J 14 114 \| 78 78 m 2H \| 73 72 m 5H \| 71 71 s 1H \| 70 70 s 1H \| 65 64 s 1H \| 45 44 m 1H \| 41 41 dd 1H J 57 121 \| 40 39 dt 1H J 68 123 \| 39 38 dd 1H J 58 122 \| 38 37 dt 1H J 67 121 \| 32 30 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(-c2ccnn2C)c(C(F)F)cc1N	ir: 1 3 2 5 9 3 3 9 6 8 7 3 2 8 4 5 11 10 6 19 12 10 11 9 8 6 2 3 2 3 4 8 16 4 4 3 2 2 3 4 7 4 1 1 2 1 2 2 2 2 2 1 3 1 2 1 2 2 1 1 1 3 2 1 1 4 1 12 9 4 6 2 1 4 8 3 2 5 3 1 2 4 8 11 6 6 6 4 2 1 1 1 3 2 1 1 2 14 2 2 5 2 1 1 0 1 1 1 3 2 1 1 2 3 3 9 2 2 4 3 4 1 1 1 2 4 1 1 1 1 1 2 15 2 1 0 1 1 1 1 1 2 3 6 18 11 7 2 1 9 3 1 2 5 3 20 12 20 61 32 8 2 2 3 1 16 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 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 0 0 1 1 0 0 1 1 1 0 0 0 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 4 5 4 26 9 19 9 3 2 1 1 1 1 0 1 1 1 0 1 2 1 10 18 2 1 1 2 1 0 0 5 11 38 43 100 36 15 3 1 0 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 s 1H \| 75 75 d 1H J 33 \| 70 70 td 1H J 6 28 \| 68 68 s 2H \| 66 66 s 0H \| 65 64 d 1H J 33 \| 39 38 d 7H J 35	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1ncc(-c2ccc(Oc3ccnc(-c4cnn(C)c4)c3)c(C)n2)c(=O)[nH]1	ir: 2 2 2 3 4 3 5 4 4 5 3 4 5 3 2 6 8 8 4 6 6 8 8 6 6 4 5 4 4 3 2 7 11 11 7 3 6 2 7 3 2 2 2 6 10 100 15 6 3 3 2 3 6 8 4 7 4 5 2 11 3 1 2 6 7 8 10 6 6 4 4 4 2 2 3 3 2 4 3 3 1 1 2 2 2 1 3 3 4 2 5 9 13 3 2 2 3 2 2 2 1 4 2 2 1 2 2 2 2 3 3 2 1 2 2 2 3 4 3 4 6 6 11 8 4 4 4 3 2 4 2 4 13 2 3 2 3 4 3 2 6 6 5 6 4 3 8 20 12 23 33 10 20 12 5 6 4 15 5 4 2 2 7 35 9 4 2 0 2 3 2 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 3 3 1 4 53 16 6 6 8 3 4 2 2 2 2 2 2 2 1 2 2 2 2 4 3 4 6 11 24 19 27 14 6 6 3 3 3 2 2 2 2 2 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 87 87 m 2H \| 82 82 s 1H \| 76 76 s 1H \| 76 75 d 1H J 82 \| 73 73 q 1H J 42 \| 72 71 d 1H J 22 \| 70 70 d 1H J 84 \| 69 69 dd 1H J 22 48 \| 39 39 s 3H \| 29 29 d 3H J 40 \| 24 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)C(=O)N1CCc2cc(S(=O)(=O)Cl)ccc21	ir: 0 4 6 4 0 4 6 2 3 18 9 5 2 3 4 3 2 5 7 2 6 15 10 3 3 4 4 4 8 3 4 2 2 8 10 6 3 7 7 17 12 7 4 2 3 6 5 2 3 6 4 2 2 4 3 12 9 5 3 2 4 3 4 9 22 23 3 2 4 6 3 1 3 3 2 2 3 4 3 3 4 5 6 100 74 44 15 3 4 5 2 2 3 3 2 8 3 5 7 9 12 5 5 3 4 3 1 2 4 3 1 3 5 7 5 6 4 5 3 8 9 9 3 4 6 7 6 6 5 3 2 3 4 3 1 3 4 6 4 3 3 2 4 4 38 3 2 4 4 5 6 4 7 31 33 4 3 2 3 3 3 3 5 4 2 1 2 3 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 4 3 2 2 3 4 2 4 5 3 2 4 5 6 5 14 6 12 60 39 7 3 1 3 4 2 1 2 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 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 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: 79 78 m 2H \| 75 74 d 1H J 90 \| 41 40 m 2H \| 34 33 q 4H J 73 \| 31 30 m 2H \| 12 12 t 6H J 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCS(=O)(=O)N(c1cncc(-c2c(C#N)c3ccccc3n2C)c1)S(=O)(=O)CC	ir: 1 2 29 23 36 13 6 2 3 3 3 4 4 3 11 4 2 1 2 2 3 5 2 2 1 3 2 1 1 8 3 1 1 6 23 55 24 1 11 6 7 9 93 19 4 4 3 0 1 1 1 1 1 2 1 7 1 2 1 1 4 3 1 2 5 16 8 4 9 6 10 4 11 4 2 1 4 4 3 14 8 11 32 17 20 21 100 38 10 1 4 2 2 7 3 1 1 2 1 1 2 2 2 2 2 6 10 17 14 18 2 12 20 32 9 4 5 10 9 18 16 13 2 4 7 6 9 6 6 5 6 1 1 1 1 1 2 3 13 1 1 1 1 7 3 1 2 1 1 1 5 10 1 0 0 1 1 1 6 2 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 3 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 2 2 2 1 2 4 4 6 5 6 4 2 4 6 5 10 16 12 13 49 32 8 2 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 85 85 dt 2H J 17 123 \| 82 81 t 1H J 16 \| 79 79 dd 1H J 14 68 \| 75 75 dd 1H J 14 63 \| 75 74 td 1H J 14 70 \| 74 73 ddd 1H J 13 64 73 \| 38 38 s 2H \| 36 35 q 4H J 91 \| 15 14 t 6H J 91	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(O)CCN(Cc2ccc(Br)nc2)CC1	ir: 3 4 3 6 7 4 3 4 14 9 1 3 5 4 1 2 2 2 1 2 2 1 1 2 3 7 5 6 1 8 5 4 3 1 14 5 2 3 2 1 2 5 3 5 2 1 2 5 8 1 3 4 10 18 9 17 6 0 4 7 3 9 11 6 2 3 4 4 6 13 15 5 4 8 35 24 13 12 17 27 8 6 9 9 8 7 8 12 14 12 5 4 3 5 17 11 10 11 27 31 13 9 3 4 20 7 4 2 3 2 1 2 2 2 2 3 6 12 8 6 2 6 7 3 6 6 7 10 11 14 14 39 24 9 3 3 2 2 2 2 2 2 1 1 2 2 3 21 27 10 2 2 4 2 2 2 2 2 12 43 10 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 4 5 6 3 6 6 4 5 4 4 5 2 18 9 22 29 31 8 5 4 9 15 79 90 100 20 7 4 3 3 2 2 2 3 2 2 3 4 2 3 3 4 3 2 2 2 4 3 3 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; 1HNMR: 84 84 dt 1H J 9 19 \| 75 75 ddt 1H J 9 18 81 \| 73 73 d 1H J 80 \| 38 37 t 2H J 9 \| 28 28 ddd 2H J 38 66 123 \| 27 26 m 3H \| 20 19 ddd 2H J 38 66 130 \| 17 16 ddd 2H J 38 66 128 \| 12 12 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCSc1c(C(=O)O)cnn1-c1ccc(CC(=O)OC)cc1	ir: 1 3 3 5 1 2 2 1 1 2 1 1 1 2 2 6 5 10 7 10 10 41 25 7 9 8 14 16 2 5 2 2 2 1 1 1 1 3 1 1 2 2 1 1 2 1 1 1 2 1 2 1 2 2 2 11 14 1 1 1 1 2 1 1 2 2 1 1 1 1 4 0 1 1 2 1 3 100 13 3 3 2 2 1 1 2 2 4 8 2 1 1 2 2 2 1 1 1 1 2 2 2 4 1 1 2 1 1 1 1 0 1 1 1 0 1 1 2 3 11 7 2 2 3 4 4 4 3 2 2 1 2 2 1 2 4 13 1 1 1 3 3 2 4 7 5 3 2 2 5 3 49 4 3 1 1 13 2 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 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 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 2 1 1 1 1 1 1 1 6 3 3 5 6 7 4 3 0 1 2 1 1 5 59 4 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 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 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 0 0 1 0 0 0 1; 1HNMR: 84 84 s 1H \| 77 77 m 2H \| 75 74 dq 2H J 9 82 \| 37 36 s 2H \| 36 36 d 2H J 9 \| 31 31 t 2H J 49 \| 18 17 qt 2H J 48 71 \| 11 10 t 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1CCC(c2ccccc2)CC1=O	ir: 8 20 5 13 13 9 2 17 6 4 8 8 12 4 5 4 9 17 6 4 3 4 4 7 3 3 2 8 4 4 12 12 9 4 4 2 3 6 8 9 21 94 3 7 9 0 2 4 3 0 3 3 5 7 7 4 2 2 3 2 2 3 3 8 20 3 6 9 11 4 5 3 3 16 5 5 3 3 6 6 1 1 1 1 1 1 2 2 1 2 8 7 1 2 3 3 6 5 8 4 2 5 2 3 4 9 15 7 8 8 8 5 6 8 10 12 9 7 9 9 12 13 10 29 36 12 19 5 5 7 6 5 10 10 37 42 17 7 7 5 6 8 27 83 66 36 12 8 4 2 2 4 20 5 2 2 1 1 1 2 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 2 1 1 1 1 1 2 2 3 4 4 11 7 4 3 6 14 12 7 13 30 17 25 100 15 10 7 2 1 1 3 2 2 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 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 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 m 3H \| 72 72 m 2H \| 37 37 s 2H \| 35 34 t 1H J 62 \| 32 31 tt 1H J 64 72 \| 29 28 dd 1H J 70 163 \| 27 26 dd 1H J 70 163 \| 22 21 dddt 2H J 62 92 139 392 \| 20 18 dddt 2H J 63 88 139 390	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=COCCONC(=O)c1sc2ccncc2c1Nc1ccc(I)cc1F	ir: 2 3 5 5 4 2 3 1 2 2 5 2 3 1 6 10 7 2 5 24 8 9 14 8 20 6 1 6 5 5 9 15 11 3 2 6 13 14 4 5 5 2 12 10 55 54 24 4 3 4 1 1 3 3 9 31 25 7 6 7 3 1 2 3 2 2 3 2 6 7 19 8 4 4 12 15 2 6 6 3 2 7 9 5 6 3 7 4 2 1 2 3 1 1 2 2 1 11 3 4 1 16 4 3 5 1 2 1 0 1 2 2 22 29 7 4 4 2 1 1 2 4 2 2 1 7 38 2 1 3 2 2 12 5 3 1 1 3 5 7 16 7 19 2 3 2 4 7 3 30 13 29 8 8 4 4 13 100 9 18 24 7 65 6 2 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 2 1 1 1 2 1 2 20 2 1 4 6 2 15 33 20 5 4 4 12 3 2 3 2 1 2 2 1 1 4 3 1 2 2 4 26 19 18 72 83 8 4 3 3 4 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 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 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 93 92 m 2H \| 87 87 dd 1H J 13 40 \| 78 77 d 1H J 40 \| 75 74 m 2H \| 71 70 dd 1H J 47 74 \| 65 64 ddt 1H J 9 99 152 \| 42 41 dd 1H J 28 99 \| 41 40 dd 1H J 27 153 \| 40 39 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)Cc1n[nH]c2ncccc12	ir: 0 1 1 2 0 1 1 1 1 6 1 3 6 4 4 1 1 2 4 3 3 16 8 6 1 1 1 0 0 0 1 1 1 1 0 0 0 2 3 14 9 3 4 1 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 0 0 0 0 1 1 1 1 3 5 5 3 1 1 1 2 3 3 2 1 1 0 1 0 0 1 5 2 1 6 4 4 2 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 5 4 2 1 0 1 1 1 1 0 2 1 1 1 3 1 1 1 1 0 1 0 0 0 1 1 11 1 0 1 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 1 1 0 1 0 0 0 0 1 1 1 2 3 1 1 0 0 0 2 5 80 100 23 6 1 1 0 0 1 1 0 0 0 0 0 0 1 2 7 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 86 dd 1H J 21 39 \| 82 81 dd 1H J 20 84 \| 73 73 dd 1H J 38 84 \| 40 39 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)c1ccc(F)cc1F	ir: 2 2 6 2 3 1 2 1 1 1 1 2 1 1 2 2 1 2 2 2 1 3 9 24 14 5 19 10 4 18 9 18 2 3 5 3 4 3 4 4 3 12 47 37 20 4 5 3 1 1 2 3 2 0 17 6 7 1 13 4 5 1 1 1 1 1 11 48 9 1 2 2 1 1 1 2 5 9 2 2 1 1 1 1 0 1 13 2 1 1 2 3 12 6 2 1 1 1 1 1 1 1 2 5 3 1 2 1 1 1 1 1 1 1 1 1 2 3 5 2 3 2 6 6 19 25 3 2 1 2 2 1 4 2 1 8 45 12 3 4 6 4 5 38 100 22 9 3 4 4 8 9 13 26 23 3 1 2 2 1 2 59 34 1 1 1 1 1 1 1 1 0 1 1 1 1 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 0 1 1 1 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 1 1 1 1 1 2 4 4 3 12 66 78 8 3 3 3 1 1 1 1 1 2 1 1 1 1 1 1 3 7 4 4 12 33 29 22 13 6 3 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0; 1HNMR: 78 78 dt 1H J 50 80 \| 72 71 ddd 1H J 27 81 105 \| 71 71 td 1H J 28 121 \| 68 67 q 1H J 50 \| 29 28 d 3H J 51	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCC=C(c1ccccc1)C(C)C	ir: 6 8 14 5 4 3 6 9 4 15 3 9 4 3 3 3 3 2 2 1 2 1 4 6 2 6 4 3 1 4 6 4 28 83 9 2 2 5 21 4 6 22 40 22 10 4 3 3 3 0 4 7 3 4 6 3 8 6 2 5 3 4 23 7 5 4 9 10 22 12 5 3 8 16 10 9 13 5 4 11 5 3 12 7 4 1 2 2 1 2 5 9 2 3 3 3 4 5 9 21 18 26 9 4 5 4 17 4 3 3 5 7 4 15 31 11 11 11 15 8 21 29 27 14 6 10 9 9 11 18 13 17 15 10 38 50 8 2 2 3 6 7 46 30 100 17 18 8 2 2 2 36 2 7 1 3 7 3 1 0 5 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 3 6 3 4 5 2 8 6 12 6 9 7 5 18 34 60 46 85 93 51 31 12 7 2 1 2 2 2 2 2 2 1 1 1 1 1 0 1 1 1 1 1 1 0 1 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 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 1 1 0 1 1 1 0; 1HNMR: 74 72 m 5H \| 58 58 tq 1H J 10 53 \| 42 41 q 2H J 66 \| 29 28 m 1H \| 27 26 tdt 2H J 7 53 86 \| 25 24 tt 2H J 8 89 \| 13 12 t 3H J 66 \| 11 11 d 6H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nccc1C(=O)Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c1	ir: 3 4 1 9 8 5 2 5 5 6 4 2 4 3 2 3 3 2 3 4 1 2 1 3 3 3 5 9 2 5 2 4 1 2 2 6 13 5 5 3 12 7 5 1 6 7 7 19 15 2 1 2 6 22 11 3 5 8 6 24 9 7 3 6 3 0 6 3 5 13 11 8 16 3 1 1 4 2 1 1 2 5 4 15 6 4 13 7 3 3 4 4 2 2 2 1 3 6 3 4 6 14 8 11 1 2 5 3 2 2 4 2 1 0 1 3 2 6 8 3 2 1 3 3 5 2 1 5 9 2 1 1 0 1 0 7 5 4 2 5 6 7 33 32 13 2 6 4 3 7 24 11 9 4 5 38 17 2 1 1 9 9 27 0 1 1 0 0 1 7 1 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 0 0 0 1 2 2 1 1 1 2 1 2 2 3 2 5 16 7 5 29 20 47 100 41 25 15 9 5 1 2 1 1 1 1 1 1 1 1 1 1 1 3 2 2 7 17 38 14 4 4 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 97 96 s 1H \| 83 83 s 1H \| 75 75 d 1H J 90 \| 74 74 d 1H J 33 \| 73 72 m 3H \| 70 70 m 2H \| 66 66 d 1H J 33 \| 41 40 s 3H \| 24 24 p 1H J 55 \| 12 11 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.
CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@@H](CCCCN)C(=O)O	ir: 1 1 1 1 1 1 1 2 2 1 2 2 2 3 5 12 5 3 4 3 12 100 3 7 2 4 3 1 1 4 3 5 1 2 2 0 0 1 2 1 3 16 10 18 5 8 16 7 11 16 2 1 4 3 3 14 1 4 6 2 3 1 3 2 1 1 1 2 2 2 5 5 12 25 4 2 4 1 12 13 3 4 21 2 2 1 3 3 2 5 4 5 3 2 1 1 1 2 3 2 2 1 1 1 1 7 1 3 3 6 2 3 2 1 3 1 2 3 2 3 4 3 5 9 4 3 1 2 4 3 7 4 10 16 16 4 5 19 4 3 2 2 2 36 9 3 5 5 3 2 1 1 7 6 0 6 1 0 1 1 4 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 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 1 1 1 3 2 2 2 1 1 3 2 4 3 7 5 10 22 8 2 2 2 2 2 1 1 18 9 2 2 10 7 9 4 2 2 1 0 5 53 25 6 2 14 9 2 2 1 1 1 3 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 79 78 dd 1H J 13 82 \| 76 76 m 2H \| 76 75 td 1H J 15 80 \| 75 74 m 2H \| 74 73 dq 2H J 9 85 \| 47 47 dt 1H J 9 128 \| 45 44 t 1H J 74 \| 42 41 dt 1H J 9 128 \| 27 26 tt 2H J 48 65 \| 24 23 m 2H \| 20 19 m 1H \| 17 16 m 5H \| 15 13 m 7H \| 10 9 t 3H J 74	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)OCCCn1nnc2cc(C=O)ccc21	ir: 4 2 1 2 3 3 7 3 2 6 1 1 2 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 3 1 1 1 1 3 2 2 1 1 1 3 2 1 1 1 1 1 2 2 1 3 2 2 2 9 2 1 3 3 2 2 3 4 2 1 1 2 2 8 8 2 3 5 32 4 3 1 1 2 2 1 0 2 2 0 1 6 6 100 11 2 3 3 2 2 2 2 2 3 8 13 11 4 4 8 3 1 1 1 1 1 1 2 2 2 3 2 1 2 3 4 8 13 4 2 3 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 16 2 1 1 9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6 2 1 1 2 2 2 1 2 2 2 2 4 6 9 6 7 12 8 7 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; 1HNMR: 100 100 s 1H \| 85 84 m 1H \| 80 80 t 2H J 14 \| 44 43 t 2H J 67 \| 42 41 t 2H J 70 \| 30 30 s 3H \| 23 22 p 2H J 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)O[C@H](CC#N)C[C@H](CC(=O)N(c2ccccc2)c2ccccc2)O1	ir: 2 3 1 2 6 7 1 4 4 7 7 4 5 2 1 3 3 1 1 2 2 1 2 8 4 3 1 3 7 4 6 11 9 15 8 9 5 2 5 30 17 3 9 13 3 1 1 3 5 2 3 3 4 2 3 3 7 2 2 2 2 1 2 2 2 1 2 4 6 26 10 9 2 2 3 5 5 3 8 6 3 1 2 2 0 1 2 2 1 6 5 2 1 2 3 5 4 5 4 5 3 7 16 19 3 2 4 2 1 2 3 2 1 4 5 2 3 3 4 4 3 3 6 5 4 5 5 4 3 9 4 4 7 10 11 17 10 10 3 1 2 2 4 27 48 5 9 100 13 3 6 16 12 5 2 1 2 2 2 5 7 2 1 0 1 2 1 0 1 2 1 0 1 3 1 0 1 3 1 9 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 3 3 3 4 5 2 4 2 3 5 1 9 11 20 16 27 78 28 29 5 7 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 1 1 1 0; 1HNMR: 75 74 m 2H \| 74 73 m 9H \| 44 43 m 1H \| 42 41 dddd 1H J 26 45 70 86 \| 29 28 dd 1H J 62 156 \| 28 28 dd 1H J 46 108 \| 26 26 dd 1H J 62 156 \| 26 25 dd 1H J 45 107 \| 21 20 dt 1H J 42 139 \| 18 18 dt 1H J 69 137 \| 14 14 s 2H \| 13 13 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(=O)[nH]c2cnc(CCc3ccccc3)nc21	ir: 12 11 11 11 10 13 24 17 11 11 11 12 10 10 10 10 10 10 10 10 11 10 10 10 10 10 11 10 10 10 13 11 11 12 12 12 12 29 14 14 27 12 11 11 11 10 10 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 10 10 10 10 11 11 10 10 10 10 10 10 11 10 10 10 10 10 10 14 11 10 10 10 10 10 10 13 10 10 10 10 10 10 10 10 11 16 12 11 10 10 10 10 12 11 10 11 11 10 14 14 19 11 14 10 10 10 10 10 10 10 10 11 13 22 12 20 12 11 10 11 16 11 49 10 9 12 12 0 64 9 10 12 11 13 100 15 10 9 10 16 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 10 10 10 10 10 10 10 10 10 13 12 13 27 13 11 10 10 10 10 10 10 10 10 10 10 10 10 10 11 10 10 10 10 10 10 15 21 13 13 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10; 1HNMR: 85 85 s 1H \| 73 72 m 4H \| 72 71 m 2H \| 36 36 s 3H \| 30 29 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ncc(C(F)(F)F)cc1I	ir: 3 4 2 2 2 2 7 9 3 1 1 2 4 1 1 1 2 2 1 2 2 1 1 2 3 4 1 2 2 1 1 2 2 1 2 7 42 20 19 5 3 3 2 2 2 2 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 3 2 1 2 7 7 2 4 6 1 1 2 3 1 1 2 2 4 9 8 4 2 1 2 2 1 1 2 1 1 1 15 26 5 6 28 17 2 1 3 3 1 1 2 2 0 2 4 3 0 43 2 2 3 2 2 3 2 2 1 2 4 10 19 9 4 3 6 80 14 2 2 1 1 2 2 1 1 2 2 25 40 3 1 2 1 1 1 4 1 89 100 4 2 1 3 44 15 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 2 2 1 1 1 1 1 1 1 1 2 2 1 1 2 4 3 10 14 8 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 84 p 1H J 13 \| 82 82 dq 1H J 9 18 \| 40 40 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(C)C2=O)CC1	ir: 6 12 7 5 7 6 9 3 3 3 2 2 6 3 1 2 4 6 1 3 2 1 1 2 2 3 4 7 4 1 1 3 4 14 11 6 7 15 100 14 11 6 3 1 3 2 1 0 2 7 2 4 10 57 35 16 2 1 2 3 2 3 2 5 3 2 5 10 9 6 4 7 8 8 10 22 17 9 7 3 1 2 5 8 24 11 5 2 7 14 32 29 13 6 3 3 9 7 6 5 6 8 3 10 8 5 8 5 6 3 7 7 10 5 4 6 4 11 5 9 2 5 9 16 22 6 9 11 6 8 13 8 5 10 23 11 5 4 2 1 1 2 2 1 1 5 3 1 1 2 20 19 44 78 80 8 1 2 1 0 0 1 1 7 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 2 3 2 2 2 3 4 6 3 2 3 3 2 5 7 32 12 17 51 30 13 14 7 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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; 1HNMR: 72 72 m 2H \| 71 70 t 1H J 23 \| 69 68 dd 1H J 24 86 \| 44 44 p 1H J 48 \| 44 43 dd 2H J 25 32 \| 37 37 dd 2H J 25 32 \| 31 30 s 2H \| 29 28 m 3H \| 26 25 ddd 2H J 51 79 119 \| 22 21 ddt 2H J 49 79 128 \| 19 18 ddt 2H J 49 79 128 \| 11 11 d 6H J 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCOc1cccc2c1CCC2=O	ir: 0 3 11 16 14 3 2 3 3 3 6 2 3 1 2 3 2 4 3 10 4 2 4 1 3 2 2 2 4 1 1 1 1 2 3 2 2 1 1 1 1 1 5 3 4 6 16 32 9 3 2 1 1 1 2 1 1 1 1 1 1 2 8 4 4 1 2 1 2 3 6 10 5 15 9 4 2 1 1 1 1 2 2 1 1 1 0 1 3 26 2 1 5 2 1 2 11 6 4 3 3 3 3 1 1 1 1 1 2 5 24 8 2 9 24 18 31 5 11 18 23 11 5 9 7 7 5 1 2 5 7 10 15 13 10 4 3 1 1 3 32 22 2 17 85 13 9 4 2 2 11 1 1 2 2 0 2 72 13 5 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 4 4 14 11 3 4 5 5 2 5 5 36 15 15 100 43 11 3 4 2 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 76 76 dd 1H J 18 81 \| 73 72 t 1H J 81 \| 69 68 dd 1H J 18 82 \| 44 43 t 2H J 66 \| 42 41 q 2H J 66 \| 31 30 dd 2H J 62 70 \| 28 27 dt 4H J 67 177 \| 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.
COc1c(C)c(C)c2c(c1C)CCC(C)(CCN1CCN(CC=C(C)C)CC1)O2	ir: 15 5 8 9 14 8 10 8 11 4 6 7 7 8 6 9 6 4 5 7 2 2 3 1 0 4 3 5 7 53 13 5 2 3 2 1 1 6 3 1 3 4 8 15 5 2 3 8 3 7 3 1 2 3 3 3 12 6 7 5 5 6 11 10 16 18 20 15 8 7 6 2 4 9 10 8 7 8 13 41 25 21 29 21 25 6 2 6 12 13 3 1 4 3 5 8 12 6 14 22 12 11 17 8 12 6 2 5 5 7 16 4 5 4 10 9 15 10 10 34 8 8 7 10 7 5 6 12 8 14 13 11 14 9 8 6 14 6 8 8 4 5 3 3 2 1 6 5 1 0 1 1 1 0 1 4 2 1 10 4 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 2 2 1 2 4 7 4 4 8 7 13 10 9 7 5 5 11 23 100 29 31 26 14 5 2 4 2 2 2 1 2 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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: 52 52 dtq 1H J 17 32 50 \| 38 38 s 2H \| 33 33 ddq 2H J 10 20 50 \| 28 25 m 12H \| 22 22 dt 1H J 69 134 \| 21 21 m 9H \| 20 19 m 2H \| 17 17 ddd 1H J 50 77 135 \| 17 16 q 6H J 11 \| 13 13 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=O)N1[C@H](CF)[C@@H](c2ccc(S(C)(=O)=O)cc2)OC1(C)C	ir: 3 5 4 2 3 5 3 2 1 3 3 12 5 11 2 2 4 5 2 18 10 8 11 14 3 3 2 1 2 2 1 1 2 10 3 2 10 15 11 3 2 1 1 1 1 2 2 1 5 4 1 4 3 5 7 1 7 4 2 3 2 1 2 3 3 96 10 1 2 5 2 5 8 2 1 0 1 3 3 0 3 12 22 18 4 20 15 4 6 13 6 7 17 23 9 4 1 1 3 2 7 8 8 3 21 20 5 4 1 2 1 2 7 5 1 4 4 7 8 12 16 9 5 4 12 19 16 8 37 29 4 4 1 5 5 41 4 4 4 1 1 1 1 2 2 6 30 100 9 2 2 1 2 2 1 0 0 0 0 0 0 8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 5 7 1 2 1 1 1 1 2 2 3 6 14 11 26 17 71 74 6 2 5 3 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 m 2H \| 75 74 m 2H \| 52 51 m 1H \| 48 47 ddd 1H J 18 40 92 \| 47 46 ddd 1H J 18 40 92 \| 45 44 ddd 1H J 16 39 92 \| 44 44 ddd 1H J 18 40 92 \| 43 42 ddt 1H J 39 62 168 \| 33 32 s 3H \| 24 23 qd 2H J 59 72 \| 16 16 s 3H \| 15 15 s 3H \| 11 11 t 3H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1CCC(=O)N1	ir: 0 3 6 4 2 8 18 13 4 5 11 8 7 3 3 4 5 7 11 14 79 100 55 14 10 12 14 8 6 4 4 3 2 2 3 2 3 3 3 4 6 5 4 2 6 6 8 4 4 3 2 2 3 11 10 11 5 4 4 3 5 6 3 2 4 5 2 2 4 5 4 3 4 4 3 4 4 3 1 2 2 2 1 1 2 3 2 3 2 2 3 2 2 3 2 2 3 3 2 4 4 3 2 2 5 12 9 6 4 3 2 2 10 33 43 13 7 7 6 4 4 3 8 4 10 13 8 11 21 19 4 3 3 3 5 11 4 2 2 2 2 2 1 2 2 1 2 3 2 1 5 8 50 50 52 25 5 4 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 4 3 3 2 3 4 6 12 7 4 4 4 3 4 31 21 19 3 0 2 3 2 1 2 3 2 1 2 2 2 1 3 3 2 2 4 3 4 6 6 12 48 27 24 24 18 5 3 2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2; 1HNMR: 60 59 d 1H J 68 \| 37 36 dttt 1H J 15 29 55 70 \| 25 24 ddd 1H J 52 70 150 \| 23 22 ddd 1H J 53 71 148 \| 20 19 dddd 1H J 43 52 70 132 \| 17 16 dddd 1H J 44 53 71 134 \| 16 15 dqd 1H J 38 70 130 \| 14 13 dqd 1H J 38 71 130 \| 9 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.
CCOC(=O)C1CC(c2cccc(F)c2)c2cc(Cl)ccc2N1	ir: 8 16 5 14 22 15 4 7 37 7 11 7 1 4 2 1 2 1 1 3 4 5 1 1 1 2 1 2 2 2 1 2 3 0 2 1 1 2 1 1 1 1 1 1 1 1 9 11 3 1 1 3 3 50 37 5 3 1 1 4 1 1 3 4 1 2 8 9 9 3 2 2 2 2 4 4 3 4 3 2 1 1 2 1 2 9 5 2 2 4 2 1 1 1 2 14 7 3 12 2 5 18 3 3 1 2 11 7 3 4 2 3 5 5 6 10 0 3 5 4 3 3 8 4 3 4 2 3 3 4 2 5 2 3 2 1 1 2 2 15 39 9 5 4 15 14 10 4 2 1 2 36 19 11 6 8 1 2 1 1 2 2 8 1 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 2 4 2 1 2 1 3 3 2 5 4 6 13 100 10 5 3 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 6 10 44 25 4 4 3 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 74 73 td 1H J 50 76 \| 72 72 dd 1H J 6 21 \| 72 71 m 2H \| 71 69 m 2H \| 69 69 d 1H J 79 \| 58 58 d 1H J 81 \| 46 45 m 1H \| 44 44 dt 1H J 66 81 \| 43 41 m 2H \| 26 25 m 1H \| 23 22 ddd 1H J 64 71 143 \| 13 12 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC12CCC(O)(COC)CC1CCOc1cc3c(cnn3-c3ccnc(C)c3)cc12	ir: 1 3 8 2 2 2 1 1 3 2 1 1 0 1 0 0 0 0 1 2 3 0 0 1 0 0 0 0 1 1 1 1 0 1 1 0 0 0 0 1 1 0 0 0 1 1 1 0 0 0 1 0 0 1 0 1 0 9 0 0 0 0 2 1 2 1 7 2 1 15 7 7 1 1 4 1 2 8 8 1 1 0 1 0 1 1 2 0 0 1 1 4 2 2 6 5 0 1 0 0 0 3 1 1 1 3 9 3 2 1 1 1 0 6 1 1 1 0 3 1 1 1 1 1 1 2 2 1 1 5 2 1 1 1 13 2 2 4 1 0 0 0 1 2 0 0 0 2 5 1 0 1 2 0 0 0 2 0 0 0 1 2 14 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 1 1 1 3 5 2 2 9 5 4 1 1 0 1 4 100 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; 1HNMR: 85 85 d 1H J 47 \| 83 82 d 1H J 18 \| 78 78 d 1H J 17 \| 75 75 d 1H J 22 \| 74 74 dd 1H J 21 47 \| 71 71 s 1H \| 41 40 m 1H \| 40 39 m 1H \| 37 36 d 1H J 115 \| 35 35 s 1H \| 34 34 d 1H J 117 \| 33 33 s 2H \| 25 25 s 3H \| 22 17 m 11H \| 16 15 dq 1H J 77 137 \| 8 8 t 3H J 77	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN=C1c2c(O)ccc(C)c2C2CCCCC12	ir: 5 5 4 4 7 5 4 5 2 4 3 9 7 9 75 92 37 22 34 86 35 29 74 40 14 27 21 3 9 26 6 4 5 7 5 4 4 12 24 12 10 5 3 1 12 6 3 0 1 4 2 0 3 20 51 6 4 14 5 6 2 2 5 17 6 6 4 4 4 10 9 4 6 8 3 6 4 8 13 7 11 19 7 14 15 15 9 24 11 78 46 21 2 3 6 5 5 8 76 53 26 8 4 2 2 8 7 3 2 2 7 5 8 14 29 41 8 6 17 8 4 2 4 3 2 3 2 2 4 3 1 3 2 2 2 2 1 2 1 1 1 1 4 19 14 9 1 1 2 5 13 3 1 7 3 2 2 1 2 4 23 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 0 2 3 3 1 1 3 3 1 1 2 1 0 1 2 1 1 2 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 0 1 2 2 1 2 3 2 1 2 3 2 3 3 4 4 2 6 7 6 13 12 5 3 46 7 7 3 11 64 100 75 50 3 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 97 97 s 1H \| 70 70 dq 1H J 9 88 \| 68 67 d 1H J 88 \| 35 35 s 3H \| 31 30 dt 1H J 43 68 \| 30 29 dt 1H J 43 68 \| 24 23 d 3H J 11 \| 22 21 m 2H \| 19 16 m 4H \| 16 15 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(S(C)(=O)=O)cc2c1cnn2C(C)C	ir: 3 5 12 4 3 8 3 4 11 26 7 3 6 6 6 4 4 44 3 4 5 3 5 8 14 16 11 6 6 6 4 5 6 9 4 8 16 20 72 21 3 6 6 3 23 33 11 90 88 16 17 9 8 11 14 5 9 29 3 0 3 6 3 1 8 100 71 13 9 3 4 2 3 6 10 5 9 6 2 2 2 3 4 2 3 21 22 3 3 7 2 3 4 10 4 6 69 8 27 10 8 17 45 24 13 16 3 4 1 2 4 2 3 5 6 5 5 6 14 16 10 8 13 21 10 8 12 7 19 6 4 2 2 3 7 11 14 7 2 2 4 2 6 34 29 20 30 18 17 18 9 5 3 3 3 2 1 7 40 13 26 50 3 4 3 1 2 2 2 1 2 2 2 2 2 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 2 2 2 2 2 3 2 4 9 8 3 3 3 3 3 5 3 4 4 8 16 36 18 16 12 47 23 6 3 4 2 2 2 2 2 2 2 2 2 3 4 3 3 4 4 8 13 8 32 41 19 34 14 6 6 1 3 2 2 2 2 2 2 2 2 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 98 98 s 1H \| 85 85 d 1H J 21 \| 85 84 m 3H \| 58 57 dq 1H J 11 22 \| 48 48 p 1H J 45 \| 43 42 d 2H J 57 \| 32 32 s 2H \| 28 27 qd 2H J 9 81 \| 24 24 d 3H J 14 \| 15 14 d 6H J 46 \| 11 11 t 3H J 81	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)Oc1ccc2oc(-c3ccncc3)nc2c1	ir: 0 0 0 2 1 0 1 1 1 1 1 1 1 1 1 4 3 26 12 2 1 2 2 8 0 0 1 0 0 0 1 1 2 3 2 1 1 1 0 0 0 0 1 1 7 2 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 10 7 1 1 1 9 2 5 1 8 5 1 1 1 2 0 0 0 0 0 0 0 0 0 3 2 2 1 6 1 0 0 1 2 16 11 9 5 17 5 1 1 1 8 1 1 2 1 30 0 0 1 0 0 0 2 3 1 1 1 1 2 17 3 3 3 7 2 0 0 1 1 0 1 25 100 4 1 0 0 18 1 1 1 1 1 3 8 1 1 1 1 1 1 0 0 0 1 3 7 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 0 1 6 23 44 9 12 3 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 m 2H \| 79 78 m 2H \| 76 75 d 1H J 82 \| 74 74 d 1H J 22 \| 73 73 dd 1H J 22 81	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC[C@@H](CNC(=O)Nc1cccc2c1OC(C)(C)C2)c1cccc2c1OCO2	ir: 2 9 2 1 0 1 2 1 6 3 3 2 2 2 1 3 1 3 1 1 1 4 7 2 2 1 2 3 6 16 4 10 3 15 22 7 4 6 13 3 4 7 3 45 20 9 67 84 18 6 11 3 4 3 1 1 3 10 3 3 6 3 4 0 8 2 3 5 5 5 4 4 2 2 3 8 6 6 5 1 2 5 2 1 1 1 1 2 2 2 1 1 3 17 6 4 10 4 0 2 5 7 13 5 3 5 5 5 4 8 8 6 13 10 6 3 3 5 7 16 2 4 2 7 10 2 6 5 20 8 3 3 3 6 23 24 3 4 3 1 26 12 25 6 5 12 38 63 11 7 75 7 17 37 7 3 3 11 13 30 9 2 1 3 2 1 3 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 2 3 7 5 5 3 3 6 6 6 7 23 12 8 55 42 10 4 7 5 5 2 4 3 3 6 8 1 1 1 2 3 4 2 5 3 32 57 70 100 11 15 9 8 7 4 5 3 3 0 1 2 2 1 1 1 1 0 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 0 0 1 1 1 0 1 1 0 0 1 1 1 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; 1HNMR: 78 77 dd 1H J 29 64 \| 77 76 s 1H \| 71 70 m 2H \| 70 69 m 2H \| 69 68 t 1H J 56 \| 68 68 dd 1H J 18 73 \| 59 59 d 1H J 14 \| 59 59 d 1H J 14 \| 36 36 dt 1H J 56 137 \| 34 33 dt 1H J 54 136 \| 32 31 m 1H \| 30 30 d 2H J 6 \| 19 18 dtd 1H J 69 81 141 \| 16 15 m 1H \| 15 14 m 1H \| 14 14 s 6H \| 14 12 m 5H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccc(Cl)cc1C#CC(=O)OC	ir: 69 42 8 8 8 16 7 4 4 7 9 8 8 5 10 9 12 5 3 11 5 2 1 1 1 1 2 2 1 1 1 3 4 3 3 6 1 1 1 2 1 2 2 3 3 5 3 4 6 2 3 3 12 98 100 45 18 10 3 1 3 3 2 4 10 2 28 11 12 10 5 4 3 1 1 3 2 1 1 1 1 2 2 11 2 4 7 2 1 2 4 4 13 20 49 17 4 14 13 24 4 2 1 2 2 2 1 2 3 7 12 33 16 13 19 5 10 23 22 13 6 35 15 9 7 4 4 3 1 4 9 3 0 1 3 2 1 3 5 4 14 53 40 71 84 8 3 4 13 14 4 3 19 5 1 2 2 1 1 6 3 3 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 44 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 5 3 1 1 1 4 4 4 6 5 4 2 13 29 22 9 48 49 53 23 8 2 2 3 1 1 1 2 1 0 1 1 0 0 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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: 73 73 d 1H J 22 \| 73 72 dd 1H J 22 71 \| 71 71 dt 1H J 8 70 \| 38 38 s 2H \| 28 28 qd 2H J 9 65 \| 13 12 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(N(Cc2ccsc2)Cc2c(Cl)cncc2Cl)cc1OC	ir: 8 9 12 4 3 4 5 3 12 5 6 7 3 9 1 13 7 6 2 4 2 3 2 12 26 10 18 77 9 3 2 1 2 6 11 4 8 7 6 17 8 8 28 55 20 8 5 5 4 3 2 5 10 27 56 83 10 22 13 3 17 6 25 32 10 17 18 4 35 3 18 97 13 15 8 10 3 1 1 0 1 2 3 2 7 11 7 42 29 11 36 28 21 8 9 17 14 6 7 9 9 11 9 3 2 4 2 1 4 1 1 35 76 5 2 2 4 4 7 5 2 3 2 1 2 4 5 5 6 4 6 22 38 7 4 6 8 3 2 2 1 1 7 6 33 1 1 1 3 7 10 19 23 24 33 10 20 13 2 1 1 2 2 18 14 4 1 1 1 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 1 1 1 1 1 1 1 1 4 5 4 4 10 14 21 46 28 49 62 100 9 4 6 5 3 0 1 1 1 0 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 s 2H \| 72 72 dd 1H J 16 53 \| 72 71 tt 1H J 9 18 \| 71 70 ddt 1H J 9 17 53 \| 68 67 d 1H J 89 \| 67 66 dd 1H J 22 88 \| 65 64 d 1H J 22 \| 49 48 s 2H \| 46 46 d 2H J 9 \| 39 39 s 3H \| 39 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Cn1c(N2CCNCC2)nc2c(N3CCOC[C@@H]3C)nc(-c3cnc(N)nc3)nc21	ir: 9 12 7 9 8 7 7 7 7 8 8 13 10 10 8 14 8 7 7 10 9 8 11 6 8 7 8 12 14 11 16 5 8 7 8 6 6 8 6 15 7 6 9 8 6 7 8 7 8 12 10 6 10 22 32 17 18 16 13 10 14 7 9 8 13 13 8 9 9 7 8 8 9 6 7 9 13 10 7 9 9 7 7 6 8 11 8 7 8 10 9 8 7 9 12 8 11 11 9 9 8 8 10 8 7 19 10 14 30 17 17 15 8 24 41 34 28 15 32 12 13 16 13 23 12 24 17 10 9 15 10 9 8 10 6 9 7 6 6 8 6 6 6 6 5 5 6 8 8 6 5 6 10 13 19 51 6 31 8 10 8 7 6 17 14 13 10 6 5 5 5 5 12 4 5 6 5 5 5 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 5 5 5 6 6 6 6 5 6 8 16 10 9 11 13 22 22 10 14 9 16 10 13 48 100 27 27 26 25 15 8 7 7 6 5 6 5 5 6 6 5 5 6 6 5 15 17 24 6 6 7 6 4 4 7 8 0 31 22 2 8 7 3 4 7 6 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 5 6 6 5 5 5 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 89 89 s 2H \| 66 66 s 2H \| 42 41 d 2H J 70 \| 39 38 m 6H \| 37 37 m 4H \| 37 36 dd 1H J 59 102 \| 36 35 m 1H \| 29 28 m 4H \| 23 21 m 2H \| 13 13 d 3H J 84 \| 8 8 d 6H J 65	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(C1CCCCC1)N1CCN(S(=O)(=O)c2cccc3c(I)cccc23)CC1	ir: 2 2 3 3 2 4 4 4 3 3 2 1 3 7 13 11 1 4 4 5 1 1 1 1 1 1 1 1 2 2 2 1 2 3 9 2 1 1 1 1 2 5 3 6 5 5 6 100 5 0 2 4 3 1 4 1 1 1 2 2 2 0 1 3 9 2 7 2 5 2 2 1 1 1 5 1 1 11 8 8 3 8 8 12 5 23 7 1 12 1 1 1 1 1 4 2 2 2 3 4 26 7 3 3 2 2 5 4 4 4 3 2 4 7 3 5 2 4 3 3 2 4 2 1 1 2 1 2 6 3 4 6 3 1 2 2 3 15 3 2 2 1 7 10 7 5 11 3 5 1 1 2 1 2 8 1 1 2 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 2 2 2 2 2 12 3 3 15 27 15 5 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 m 1H \| 82 81 dd 1H J 12 73 \| 80 80 m 1H \| 78 78 m 1H \| 77 76 dd 1H J 73 88 \| 73 72 m 1H \| 36 36 dd 4H J 55 69 \| 35 34 dd 4H J 54 68 \| 24 24 p 1H J 64 \| 19 18 m 2H \| 17 15 m 4H \| 15 14 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCn1ccc2c(N)cccc2c1=O	ir: 36 24 21 24 13 10 5 3 4 5 7 8 13 14 11 5 3 5 8 2 1 3 5 3 4 6 7 5 2 8 8 86 40 7 7 5 4 4 2 2 4 4 8 40 34 17 4 4 5 3 4 2 4 4 4 2 3 2 3 9 11 7 2 5 5 7 4 12 13 5 4 11 3 3 4 3 2 3 3 2 3 11 9 6 7 3 2 5 2 2 1 1 2 5 3 3 3 4 9 5 2 2 9 7 3 2 1 3 3 2 2 9 15 5 2 2 2 2 2 2 3 2 2 3 11 41 36 7 5 3 6 5 7 11 4 3 2 3 3 11 29 2 2 2 2 3 3 16 20 10 3 11 9 15 46 36 47 9 3 9 22 4 10 4 2 0 1 4 2 0 1 3 1 0 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 1 1 1 2 1 1 1 2 1 1 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 2 1 2 4 2 2 3 2 3 1 2 2 2 2 2 2 2 2 2 3 2 2 2 4 2 5 5 4 18 29 19 18 18 9 3 2 4 3 2 1 2 2 1 2 2 4 0 11 100 5 6 4 1 1 3 3 1 1 7 9 52 18 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 1 1 1 2 2 1 2 2 2 1 2 3 3 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 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 76 76 dd 1H J 12 87 \| 73 73 m 1H \| 71 71 dt 1H J 9 81 \| 69 69 m 2H \| 55 55 s 2H \| 40 40 td 2H J 9 62 \| 37 36 t 2H J 62 \| 33 33 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSC(=S)NN=Cc1ncc[nH]1	ir: 1 3 3 4 1 1 1 2 1 4 7 2 2 5 16 13 11 4 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 6 5 0 1 2 1 1 1 2 2 4 6 4 8 14 2 0 2 4 11 4 2 2 1 2 4 3 1 1 1 1 1 1 1 1 3 6 2 2 1 1 1 1 1 1 2 3 2 1 9 13 0 53 17 2 4 5 4 7 5 4 25 32 3 15 100 2 6 5 3 6 35 23 6 8 11 3 3 9 10 6 6 6 2 2 1 4 3 1 0 2 9 9 3 1 1 2 1 1 1 1 1 1 1 1 1 2 9 16 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14 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 2 2 1 1 1 2 1 1 2 2 2 2 2 1 1 2 3 4 3 2 1 3 2 2 3 6 12 6 3 16 22 7 9 19 20 18 1 2 2 4 4 3 3 27 19 8 2 2 2 1 1 2 1 2 2 6 54 39 3 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 99 99 s 1H \| 82 81 s 1H \| 73 73 dd 1H J 26 44 \| 71 71 d 1H J 26 \| 27 27 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(CCN(C)C(=O)OC(C)(C)C)ccc1F	ir: 5 3 7 10 9 5 4 8 8 8 12 21 12 6 4 7 6 10 5 5 11 5 3 4 5 1 1 3 3 1 1 3 3 1 1 4 3 2 2 4 3 1 2 5 3 1 2 3 2 0 1 4 16 21 18 4 5 2 2 6 3 1 6 5 3 2 7 18 11 16 6 4 2 1 3 3 1 0 3 3 2 2 5 4 3 3 10 4 6 8 4 4 2 1 3 3 1 9 7 7 5 3 7 8 2 2 3 2 1 3 7 6 4 4 6 3 1 5 6 7 9 10 14 11 12 33 13 18 24 10 15 7 11 5 3 3 3 2 3 1 2 6 11 3 2 2 3 3 5 100 60 13 15 17 8 1 2 3 2 0 1 4 4 0 2 3 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 3 2 0 1 3 1 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 2 4 3 2 3 5 4 3 4 4 3 2 2 5 4 3 5 9 24 31 65 39 35 38 6 4 2 2 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 2 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 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; 1HNMR: 70 70 dd 1H J 82 102 \| 69 68 dddt 1H J 8 17 34 83 \| 67 67 ddt 1H J 9 18 32 \| 39 39 s 3H \| 35 35 m 2H \| 30 30 s 3H \| 29 29 tt 2H J 9 59 \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2nc(NC(=O)[C@H](CC3CCCC3)c3ccccc3)sc2n1	ir: 1 3 0 2 2 2 4 3 2 1 0 1 1 2 1 1 1 1 1 2 17 4 2 1 1 2 2 2 2 1 6 5 5 3 10 7 5 3 4 23 10 26 12 12 11 7 9 20 11 34 12 1 13 12 25 5 3 5 4 1 1 0 2 3 6 2 1 2 3 2 2 1 2 0 1 2 1 1 2 2 1 1 3 6 1 1 1 1 2 5 5 2 2 1 1 1 1 2 3 1 3 2 1 1 1 3 2 3 3 3 4 2 0 6 7 1 2 2 1 1 1 6 3 1 1 2 2 2 0 1 2 0 0 2 20 6 3 32 16 2 2 2 4 15 11 32 8 32 3 8 100 18 7 2 3 1 1 1 1 9 1 1 1 0 1 1 1 1 1 1 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 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 1 1 1 0 1 2 2 1 2 2 1 1 4 4 5 5 11 53 34 11 4 1 2 3 1 1 1 1 1 0 1 1 1 1 1 1 1 3 2 5 55 46 20 4 2 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 77 77 d 1H J 75 \| 74 73 m 5H \| 67 67 d 1H J 75 \| 39 38 s 2H \| 37 36 dd 1H J 71 80 \| 22 21 ddd 1H J 69 76 146 \| 20 19 ddd 1H J 70 77 147 \| 18 17 m 1H \| 17 15 m 4H \| 15 14 m 2H \| 14 13 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCNC(=O)n1c(NC(=O)OC)nc2ccccc21	ir: 4 5 7 14 4 8 10 3 3 2 2 2 2 2 1 2 4 2 2 5 7 7 5 4 5 4 5 6 3 2 2 2 5 1 1 2 3 3 9 3 4 3 9 38 23 3 4 8 7 3 26 44 53 47 36 100 50 12 4 3 2 1 3 4 3 1 2 12 2 1 5 4 8 2 5 3 6 2 2 2 1 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 2 1 3 1 0 1 2 2 1 1 2 1 4 3 4 2 1 2 7 5 3 2 3 6 4 12 8 3 7 5 4 6 6 2 2 1 1 2 4 1 1 8 3 1 1 3 5 7 11 8 5 6 16 31 8 14 6 45 71 14 20 8 2 1 3 4 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 0 3 3 3 1 1 2 2 1 4 4 7 3 7 31 9 4 2 2 2 1 1 2 1 1 2 2 1 1 3 3 2 3 3 2 2 3 4 34 32 24 20 13 4 4 4 3 2 2 2 1 1 1 2 1 0 1 1 1 1 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 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; 1HNMR: 99 98 s 1H \| 79 78 dd 1H J 15 65 \| 76 75 dd 1H J 16 72 \| 75 74 m 2H \| 68 67 t 1H J 47 \| 37 37 s 2H \| 33 33 q 2H J 50 \| 16 15 tt 2H J 50 62 \| 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.
COc1cc(O)c(C(=O)C(C)C)c(OC)c1OC	ir: 4 2 1 3 4 5 7 5 4 13 11 6 6 10 4 7 9 5 7 3 2 1 1 2 3 2 2 1 1 1 1 2 2 2 1 1 2 4 4 4 2 2 1 3 3 1 2 1 1 1 1 1 1 1 1 2 3 1 1 3 3 2 1 2 6 7 10 4 6 4 2 3 4 3 2 2 2 1 4 2 3 5 1 2 2 2 9 10 6 4 2 1 1 2 2 7 14 4 2 1 1 1 2 1 3 3 2 2 2 1 1 1 1 1 1 1 1 4 3 3 7 4 3 2 2 3 1 1 1 2 2 3 2 1 1 1 1 1 5 8 2 4 3 1 1 0 1 2 3 2 1 1 2 19 3 1 1 0 1 4 32 17 3 0 1 1 1 1 1 1 1 0 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 2 2 4 6 4 5 23 4 4 1 1 49 100 37 7 2 0 2 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 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 0 1 1 1 0 1 1 1 1 1 1; 1HNMR: 61 61 s 1H \| 39 39 s 3H \| 39 39 s 3H \| 38 38 s 3H \| 38 37 p 1H J 70 \| 12 12 d 7H J 69	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1cccc(C2CCNCC2)c1	ir: 3 4 3 3 5 4 4 3 3 5 4 5 8 8 7 3 3 3 5 7 7 4 3 5 3 3 3 4 4 4 6 7 6 3 3 6 4 3 3 3 3 5 3 3 3 3 7 8 10 15 13 0 7 6 4 5 5 3 3 2 3 9 5 3 4 5 8 6 8 6 4 9 12 5 4 5 4 4 5 5 8 5 7 24 18 14 4 4 6 8 4 4 3 5 3 3 3 3 3 3 3 3 3 3 3 3 4 5 3 3 4 3 4 17 11 45 11 10 10 4 3 4 3 4 3 5 7 11 20 11 8 9 7 5 3 4 4 3 3 3 5 4 3 3 3 3 3 3 3 3 3 3 5 3 4 8 3 3 3 3 3 5 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 2 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 2 3 3 3 2 2 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 2 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 4 4 3 3 4 3 3 4 3 6 4 4 5 4 4 4 4 3 3 3 4 4 6 8 12 11 7 5 4 5 10 26 100 71 7 7 6 5 3 4 5 4 13 20 71 44 7 4 3 2 3 3 3 3 4 3 6 4 4 3 3 3 3 4 4 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 3 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; 1HNMR: 80 80 s 1H \| 72 71 m 1H \| 71 70 ddt 1H J 9 19 77 \| 67 67 ddd 1H J 12 21 82 \| 67 67 td 1H J 7 21 \| 31 31 dddd 2H J 27 38 53 134 \| 28 28 dddd 2H J 27 38 55 134 \| 27 26 m 1H \| 24 23 p 1H J 38 \| 22 21 dtd 2H J 27 57 139 \| 18 17 dtd 2H J 27 57 138	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ncc(NC(=O)Oc2ccccc2)c(-c2ccccc2)n1	ir: 1 1 2 1 1 1 1 1 1 1 0 0 0 0 0 0 2 0 0 0 0 0 1 0 1 1 3 4 1 4 2 4 1 3 7 8 12 11 5 7 11 29 6 3 2 13 2 4 3 0 1 1 0 0 0 1 1 0 1 1 0 0 1 1 3 1 1 1 2 1 1 1 7 1 2 1 1 1 1 2 1 0 0 1 0 0 0 0 0 0 0 1 0 1 1 0 1 1 1 1 1 0 0 0 0 0 0 0 1 1 1 1 2 1 0 0 1 0 1 1 1 1 0 0 1 0 1 1 1 1 1 10 5 1 3 5 2 2 3 100 3 2 17 8 15 3 1 1 3 4 3 3 4 3 1 1 1 1 1 1 2 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 0 0 1 1 0 2 2 1 2 11 28 12 4 2 1 1 1 0 0 1 1 0 0 0 0 0 1 0 1 0 1 1 1 2 5 10 6 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 s 1H \| 85 85 s 1H \| 77 77 m 2H \| 76 75 m 3H \| 75 74 m 2H \| 74 74 ddt 1H J 15 70 88 \| 73 72 m 2H \| 25 25 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=Cc1nc2c(N[C@H]3CCN(C(=O)OC(C)(C)C)C3)ncnc2n1CC	ir: 2 2 4 1 3 5 4 3 4 5 2 1 3 2 2 1 1 1 2 2 1 2 2 1 1 2 2 1 3 5 10 13 19 3 6 7 10 7 7 7 9 7 6 5 5 4 4 7 4 6 2 3 2 2 2 5 5 3 3 4 4 7 13 14 4 3 3 4 13 4 5 4 16 13 11 10 6 4 2 1 1 1 1 1 2 2 2 5 4 5 4 14 2 6 5 4 2 5 8 4 8 7 9 12 6 18 28 28 100 20 20 15 20 26 14 33 13 17 8 27 21 19 31 10 6 8 2 13 18 38 19 11 12 9 8 9 6 2 2 2 2 2 1 1 3 14 23 27 8 1 1 1 1 1 1 2 8 4 1 2 1 1 7 4 1 0 1 1 1 1 1 1 6 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 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 3 3 5 10 5 5 2 5 5 16 2 12 8 44 32 26 33 49 64 20 6 10 9 4 10 6 3 1 0 5 4 1 1 2 2 1 1 3 7 12 17 4 2 3 2 1 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 83 83 s 1H \| 73 72 d 1H J 88 \| 71 70 dd 1H J 108 161 \| 58 57 dd 1H J 32 162 \| 56 56 dd 1H J 32 107 \| 44 44 ddddd 1H J 18 27 37 46 108 \| 44 43 q 2H J 57 \| 38 38 dd 1H J 18 114 \| 36 35 m 2H \| 35 34 dddd 1H J 18 53 70 127 \| 22 21 m 1H \| 20 19 m 1H \| 15 14 t 3H J 58 \| 15 14 s 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(S(=O)(=O)n2c(-c3ccccc3)cc3ccccc3c2=O)cc1OC	ir: 8 6 5 6 6 7 13 16 10 12 10 13 19 18 5 10 6 7 7 7 7 8 8 12 7 7 16 6 7 9 29 17 9 7 19 12 9 7 6 11 11 100 12 22 6 9 14 7 8 6 19 12 7 5 21 8 7 7 6 7 8 8 7 12 18 9 11 9 17 11 8 11 6 7 10 6 6 9 7 6 7 10 14 11 25 21 20 11 6 6 6 7 8 6 6 5 10 9 5 6 8 10 7 7 6 6 7 29 6 5 6 5 5 5 5 5 5 7 6 8 9 7 7 7 18 10 18 71 9 6 8 13 8 7 9 29 11 7 10 82 9 7 7 30 17 6 9 10 7 6 10 15 9 5 8 12 21 10 6 5 13 6 6 0 12 4 5 6 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 7 8 10 13 15 95 26 16 15 10 8 9 6 7 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 80 79 dd 1H J 16 83 \| 77 77 ddd 3H J 15 69 81 \| 76 75 dd 1H J 21 96 \| 75 74 m 3H \| 74 73 m 3H \| 71 71 s 1H \| 71 70 d 1H J 97 \| 39 38 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C1(Cc2ccccc2)CCC(c2[nH]c3ccccc3c2C2CC2)CC1	ir: 4 4 4 1 4 2 1 5 2 1 1 10 2 4 5 4 7 3 0 0 2 1 0 3 1 4 4 7 5 17 2 2 4 1 5 2 11 3 4 11 14 19 36 21 4 3 2 1 1 1 1 1 2 2 1 1 3 6 3 2 1 1 0 1 0 1 2 3 7 13 3 4 2 1 1 4 2 1 2 1 1 2 1 1 1 3 6 7 4 4 4 2 2 10 3 5 6 4 16 6 5 2 2 2 1 2 2 5 56 5 5 1 2 1 1 1 1 1 2 2 4 8 1 4 4 2 3 1 1 10 10 5 7 7 4 11 4 3 2 2 5 4 7 19 7 5 4 3 1 3 3 16 5 5 11 18 2 1 0 1 1 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 2 4 0 2 3 3 7 7 7 8 11 8 100 25 12 7 5 4 4 2 3 3 1 1 0 1 0 0 1 1 1 1 1 2 1 1 3 3 32 34 7 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 s 1H \| 77 76 m 1H \| 74 73 dd 1H J 22 73 \| 73 71 m 8H \| 30 30 p 1H J 57 \| 29 28 m 3H \| 23 23 s 5H \| 21 19 m 4H \| 17 16 ddt 2H J 49 79 128 \| 16 16 ddd 2H J 50 78 127 \| 15 15 m 2H \| 13 12 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2C)cnc1C1=CCC(O)CC1	ir: 3 4 3 1 2 4 0 0 1 1 1 0 0 0 1 1 3 1 2 1 2 0 1 1 0 1 1 2 2 1 1 0 0 1 0 1 1 10 7 2 1 1 1 1 1 2 3 4 2 1 1 0 1 1 1 10 1 1 0 1 1 1 1 1 2 3 1 1 2 1 1 3 1 1 1 0 1 2 0 0 0 0 1 1 0 5 55 0 2 1 1 0 1 1 0 1 2 1 2 2 2 1 2 1 1 1 1 1 1 0 0 1 11 1 2 1 2 2 1 1 3 1 2 2 1 1 4 3 4 4 2 1 1 0 1 1 4 1 0 1 1 2 0 1 1 3 4 1 1 1 1 1 1 4 1 2 2 0 1 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 4 3 2 3 7 2 2 2 1 1 2 0 100 5 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 4 10 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 d 1H J 16 \| 81 81 dd 1H J 7 17 \| 81 81 s 1H \| 79 78 dq 2H J 14 111 \| 78 77 m 2H \| 61 60 tdt 1H J 9 18 66 \| 39 38 hd 1H J 18 60 \| 34 34 d 1H J 53 \| 29 28 m 1H \| 28 27 m 1H \| 26 26 s 3H \| 25 24 m 1H \| 24 23 s 3H \| 22 21 m 2H \| 19 18 dddd 1H J 59 69 95 128	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2ccnc(N)c2c1	ir: 3 2 2 2 2 3 2 2 2 2 3 2 2 2 3 2 2 5 4 3 2 3 3 3 2 3 2 2 4 3 4 6 3 3 3 2 3 2 3 2 2 2 2 3 2 2 2 2 3 2 3 2 3 2 3 1 4 3 2 3 2 2 2 2 3 3 2 2 2 4 4 3 2 7 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 5 2 2 2 2 2 2 2 2 2 3 5 2 2 5 5 2 2 2 2 2 2 2 2 2 2 4 4 2 2 2 2 2 1 2 2 2 1 2 2 2 3 3 4 3 3 4 3 3 7 8 7 3 6 11 20 3 3 2 3 5 4 3 2 2 2 2 2 2 2 3 6 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 3 5 16 10 3 3 2 2 2 2 1 2 2 2 1 2 3 2 2 2 10 7 2 3 3 1 1 3 3 0 1 8 100 11 6 0 1 3 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 78 77 m 1H \| 77 77 d 1H J 46 \| 75 74 s 2H \| 74 74 d 1H J 27 \| 74 73 m 1H \| 70 70 dd 1H J 27 89 \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1NCC1C(=O)c1ccccc1	ir: 3 4 3 2 3 3 3 2 3 4 4 5 7 5 3 2 4 6 7 9 3 4 5 6 6 11 10 4 6 10 12 20 15 26 37 71 60 47 100 31 48 61 18 7 11 4 5 14 6 6 2 4 3 10 6 6 7 5 9 11 10 3 3 4 6 4 3 10 5 6 4 3 4 3 4 3 3 4 4 5 4 3 5 3 4 3 3 3 2 3 3 3 2 5 5 12 9 6 16 17 5 10 5 3 3 4 6 8 7 10 5 4 3 6 3 3 6 7 13 23 18 35 34 13 20 22 7 7 3 3 3 4 5 11 7 9 4 4 5 5 12 35 21 38 16 14 7 5 6 7 10 33 84 54 73 11 4 0 2 4 2 1 2 2 1 1 1 2 2 1 1 2 1 1 1 2 2 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 4 5 5 4 5 6 6 16 4 54 34 38 10 5 9 4 4 2 2 2 3 2 1 2 2 1 1 2 3 2 2 7 20 40 34 83 8 5 2 1 2 3 3 3 3 3 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 2 1 1 1 1 1 1; 1HNMR: 80 79 dq 2H J 17 83 \| 76 75 m 1H \| 75 74 m 2H \| 70 70 t 1H J 42 \| 45 44 t 1H J 37 \| 38 38 dt 1H J 39 115 \| 36 35 dt 1H J 39 115	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CC(C)(C)NC(=O)c1sccc1O	ir: 9 8 2 6 9 4 1 5 8 4 0 5 8 8 5 6 9 8 11 13 37 44 63 33 29 24 28 10 8 4 4 5 5 5 7 7 6 2 3 7 5 0 5 16 14 9 99 50 6 25 9 7 4 4 5 5 4 3 4 5 5 3 5 5 4 3 4 6 18 10 5 7 4 7 10 24 19 7 13 10 4 3 6 7 5 3 5 6 5 14 23 16 21 15 23 19 51 31 11 4 4 4 6 6 7 4 5 4 6 41 23 7 1 4 7 6 2 5 7 6 3 5 5 4 2 4 5 5 4 5 9 7 8 8 7 3 3 5 5 3 5 21 13 4 4 3 3 74 100 49 36 7 11 22 18 4 8 7 5 1 3 6 4 1 3 6 4 1 3 6 4 1 4 6 3 1 7 9 3 2 4 6 3 2 4 5 3 2 4 5 3 2 5 5 3 2 5 5 2 3 5 5 3 3 5 4 2 3 5 5 2 3 5 4 2 3 5 4 2 3 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 5 4 2 4 5 3 3 5 5 3 3 4 5 3 3 5 5 3 3 5 4 3 3 5 4 3 3 5 4 3 4 6 5 2 3 5 4 3 4 5 4 3 6 9 8 7 8 10 11 35 56 38 42 53 27 9 5 3 4 5 4 5 5 25 27 4 5 10 20 29 18 44 37 5 7 6 2 3 5 5 2 3 5 4 2 3 5 5 2 3 5 4 2 3 6 4 2 3 5 4 2 4 6 4 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 3 4 5 3 3 4 5 3 3 5 4 3 3 5 4 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2; 1HNMR: 73 72 d 1H J 59 \| 70 69 s 1H \| 66 66 d 1H J 60 \| 23 23 s 1H \| 17 17 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Oc1ccc(-c2[nH]c3ccc(Cl)cc3c2-c2ccc(S(C)(=O)=O)cc2)cc1	ir: 4 9 12 9 4 6 8 5 4 6 7 8 16 10 8 11 6 6 8 5 4 7 7 9 4 7 11 5 6 18 8 10 6 7 9 8 13 9 12 4 5 8 6 4 8 7 6 4 6 8 9 5 22 66 11 14 14 49 9 3 7 9 7 4 8 44 10 8 13 15 6 4 6 8 5 4 6 9 5 4 9 9 0 14 45 14 8 14 20 22 5 6 9 9 5 5 8 7 14 10 12 13 8 5 8 10 15 9 10 15 8 6 8 6 4 6 9 7 10 9 10 12 6 33 16 14 4 7 8 6 4 13 8 5 4 7 7 5 5 7 7 5 30 28 41 6 7 7 10 8 15 11 12 6 8 13 8 5 5 8 6 4 13 10 7 3 5 7 6 3 5 8 5 4 6 7 5 4 5 7 5 4 6 7 5 4 6 7 5 4 6 7 5 4 6 7 5 5 6 7 4 5 6 6 4 5 7 6 4 5 7 6 4 5 7 6 4 5 7 6 4 5 7 6 4 5 7 5 4 5 7 5 4 6 7 5 4 6 7 5 4 6 7 5 4 6 7 5 4 6 7 5 4 6 6 5 5 6 6 5 5 6 6 5 5 7 7 5 6 9 9 4 6 7 6 4 7 8 6 5 8 8 17 8 19 24 48 100 33 32 8 10 8 14 9 6 8 8 6 5 7 7 5 4 6 7 6 5 7 7 4 5 8 49 12 11 7 9 6 6 7 6 4 5 7 6 4 5 6 6 4 5 7 6 4 5 7 5 4 5 7 5 4 5 7 5 4 5 7 5 4 6 7 5 4 6 6 5 4 6 6 5 4 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 4 5 6 6 4 5 6 6 4 5 7 6 4 5 7 5 4 5 7; 1HNMR: 95 95 s 1H \| 80 79 m 2H \| 78 77 d 1H J 25 \| 77 77 m 2H \| 77 76 m 2H \| 73 73 d 1H J 73 \| 73 72 dd 1H J 26 71 \| 72 72 m 2H \| 33 32 s 3H \| 23 23 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cc(C2CC2)c2nnc(N)n2n1	ir: 8 7 0 3 3 6 12 13 9 11 32 10 10 11 7 8 13 8 7 7 3 6 3 5 3 5 4 2 3 2 3 2 2 3 3 4 3 6 2 2 9 5 1 1 2 2 2 2 3 2 2 3 2 1 1 2 1 3 1 1 1 2 2 1 2 2 2 1 2 1 1 1 1 12 19 7 8 7 3 1 2 1 1 3 6 1 1 1 1 1 1 1 0 0 1 0 1 1 1 1 1 1 1 1 2 8 6 1 1 1 1 1 1 2 3 3 2 2 14 16 7 2 0 1 2 1 1 2 1 2 1 6 2 1 1 2 3 12 2 33 15 3 20 6 2 3 1 2 2 3 4 8 16 38 91 58 7 3 3 4 2 2 3 9 6 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 2 1 1 2 2 2 3 3 1 3 2 9 24 14 3 3 1 1 1 1 1 1 1 1 0 1 2 0 8 19 3 1 0 1 1 0 1 1 2 1 6 100 17 2 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 70 70 d 1H J 18 \| 61 61 s 2H \| 44 43 q 2H J 57 \| 30 29 pd 1H J 18 60 \| 16 15 m 2H \| 14 14 t 3H J 58 \| 14 13 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1csc(-c2cc(OCc3ccccc3)c[nH]c2=O)n1	ir: 2 2 4 4 9 12 3 3 4 5 2 3 3 6 3 2 3 11 3 2 3 5 4 2 2 2 2 2 2 1 8 9 18 4 3 2 6 3 2 1 18 4 5 4 23 3 2 2 4 9 5 2 1 3 5 1 2 3 1 1 1 2 2 2 2 5 3 2 4 2 2 2 3 8 15 9 4 54 6 0 4 4 2 2 3 2 1 2 3 6 1 2 2 2 2 14 3 4 4 1 3 4 14 6 3 32 3 3 4 5 2 2 3 3 3 2 3 3 5 6 5 4 2 3 8 3 2 2 5 2 1 3 7 20 9 28 9 1 1 3 4 0 27 6 9 4 100 0 0 4 4 15 3 2 2 1 1 2 2 1 1 3 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 3 2 3 1 2 2 3 1 4 2 2 3 6 7 5 13 22 24 55 26 6 7 3 2 6 3 2 2 2 1 1 2 2 2 2 2 3 2 4 9 3 8 7 37 15 2 2 2 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 m 6H \| 71 71 d 1H J 13 \| 71 70 s 1H \| 70 70 dd 1H J 14 70 \| 51 51 s 2H \| 25 25 d 3H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(COCc2cc(C(=O)NCC3CCOCC3)no2)c1	ir: 4 10 5 6 13 7 3 2 3 3 4 2 5 2 6 38 7 3 2 1 2 1 2 4 10 8 25 12 94 20 25 9 6 3 4 1 11 3 13 4 5 3 3 2 21 68 30 29 19 10 6 5 4 2 3 1 4 5 1 0 3 3 4 4 3 6 9 7 28 6 4 10 16 26 21 5 5 12 5 3 3 10 1 1 2 2 2 14 16 3 0 2 5 4 3 2 3 6 7 8 28 3 2 6 9 16 7 3 8 4 3 2 2 3 1 4 3 7 5 6 12 7 13 29 11 19 14 15 6 15 24 5 7 5 3 11 4 2 2 5 40 13 2 9 19 5 80 46 33 19 9 26 49 4 6 12 2 16 1 1 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 3 3 9 7 5 5 3 2 3 2 3 7 14 19 23 55 100 23 57 9 2 8 3 4 7 3 2 2 1 1 1 1 2 3 3 3 7 21 16 20 68 34 8 13 6 3 2 2 2 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; 1HNMR: 80 80 t 1H J 65 \| 72 72 m 1H \| 71 70 m 3H \| 69 69 t 1H J 8 \| 49 48 d 2H J 7 \| 44 44 d 2H J 9 \| 37 37 ddd 2H J 29 57 110 \| 35 34 ddd 2H J 30 57 112 \| 34 33 dd 2H J 44 64 \| 23 23 m 2H \| 21 20 pt 1H J 43 60 \| 19 18 dtd 2H J 29 58 145 \| 16 15 dtd 2H J 29 59 145	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCCOc1cc(N)c(N)cc1F	ir: 4 5 8 16 8 5 11 11 5 12 26 12 10 20 11 4 7 4 7 3 3 6 1 2 2 5 5 3 3 2 2 2 3 2 2 2 2 3 2 2 1 3 2 3 2 1 2 1 2 3 2 2 2 2 2 2 1 1 2 1 1 2 2 2 4 2 4 10 6 1 3 3 2 5 13 7 5 1 2 3 2 4 5 2 1 5 5 2 1 1 2 2 4 8 4 3 2 1 1 2 3 3 2 2 2 2 1 1 1 1 1 1 1 2 1 2 3 2 2 1 1 1 1 1 1 1 1 6 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 9 9 2 4 18 6 5 3 11 33 75 3 3 3 2 0 5 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 1 3 12 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 22 30 22 2 1 1 1 1 1 3 3 20 100 19 7 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 65 65 d 1H J 121 \| 63 63 d 1H J 43 \| 42 41 s 2H \| 41 41 t 2H J 58 \| 41 40 s 2H \| 26 25 t 2H J 64 \| 23 23 s 5H \| 20 19 p 2H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1ncc(Br)c(Br)c1=O	ir: 0 4 5 3 0 2 3 1 1 2 3 1 1 20 11 5 4 6 12 63 16 100 25 9 3 4 3 1 2 6 6 1 1 2 2 1 2 3 2 1 1 3 3 1 2 4 7 52 10 5 4 1 43 4 2 0 1 3 2 2 2 3 1 0 2 5 3 0 2 4 4 5 7 11 2 1 2 3 1 1 2 3 2 2 6 5 10 23 12 7 42 8 5 3 3 5 5 11 15 3 3 5 20 2 3 2 1 2 3 2 1 5 4 18 4 5 4 5 2 5 15 18 4 5 7 26 13 4 10 68 18 4 4 3 1 3 7 39 27 1 1 2 2 1 2 1 1 2 2 1 1 3 4 11 3 8 89 4 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 3 7 5 3 2 3 2 1 3 5 4 2 4 4 7 13 38 21 4 2 3 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 81 81 s 1H \| 41 40 q 2H J 74 \| 14 13 t 3H J 74	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1(C)Cc2ccccc2CN1C(=O)OC(C)(C)C	ir: 20 10 3 7 19 11 3 5 16 24 16 37 11 5 13 51 5 6 8 3 3 5 13 3 17 4 3 3 3 2 2 5 2 2 2 6 3 3 2 4 18 84 39 2 2 4 2 4 3 2 5 10 4 3 2 0 2 3 2 0 4 10 9 24 16 4 1 2 3 4 4 2 3 7 10 2 2 2 5 5 3 4 3 16 8 32 5 2 4 39 43 12 42 9 2 1 5 6 4 3 3 9 2 5 5 27 20 4 7 4 2 6 5 11 3 9 16 16 10 28 25 13 11 5 9 7 26 82 29 21 81 56 11 98 29 9 6 10 4 6 5 18 6 3 14 41 3 3 6 21 4 75 5 1 2 2 2 0 1 4 2 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 2 4 5 6 2 5 4 4 5 5 7 3 1 5 11 7 29 56 11 6 100 44 7 4 3 4 1 2 2 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; 1HNMR: 72 71 m 4H \| 71 70 ddt 1H J 8 19 69 \| 48 47 m 2H \| 42 41 m 2H \| 34 33 dd 1H J 9 141 \| 31 31 dd 1H J 8 140 \| 15 14 s 8H \| 14 14 s 3H \| 13 12 t 3H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(c(Cl)c1Cl)C(=O)C(CCCl)=C2	ir: 4 2 2 4 4 2 0 2 3 2 1 3 3 2 1 4 3 2 1 2 3 4 1 2 4 16 1 6 6 4 4 5 4 3 9 23 7 4 2 3 3 2 2 11 7 14 8 5 5 1 2 3 2 1 3 8 8 1 2 3 2 0 2 3 3 5 8 51 20 4 3 3 2 1 3 3 1 1 2 3 1 1 2 3 1 1 2 2 1 2 2 2 2 2 3 2 1 2 3 3 3 9 56 44 9 10 8 6 4 2 4 2 1 2 7 6 9 6 7 3 3 3 8 3 4 3 4 2 2 3 3 2 1 2 3 2 6 3 3 1 1 3 3 1 9 9 4 1 1 2 3 3 2 3 3 100 1 4 2 0 2 19 7 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 2 3 1 3 5 5 5 3 3 3 3 3 11 16 4 8 18 38 21 7 8 3 1 3 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 2 3 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1; 1HNMR: 72 72 m 2H \| 39 39 s 3H \| 38 38 t 2H J 35 \| 33 32 td 2H J 13 35	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC12CCCCC1OC(O)(C(F)(F)F)C2(F)F	ir: 5 13 6 8 3 6 13 9 11 10 12 10 7 5 5 6 5 6 6 4 3 6 4 3 1 3 3 2 3 6 5 2 2 3 3 1 2 3 4 2 3 7 4 4 6 6 4 2 3 4 3 1 3 4 3 0 2 4 7 11 4 5 3 2 3 3 2 4 3 6 4 5 11 12 4 7 6 6 14 12 21 15 8 6 10 10 6 9 18 12 16 27 46 42 44 8 6 14 15 6 6 4 0 3 8 3 0 6 9 10 16 4 7 4 1 5 5 8 2 3 4 2 1 3 3 2 1 3 4 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 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 1 1 3 2 0 1 3 2 0 1 3 1 0 1 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 2 3 3 1 3 3 3 1 3 6 4 2 6 4 5 3 5 4 5 12 7 9 6 3 9 10 7 7 11 21 17 31 100 81 15 4 7 7 4 7 4 3 4 4 4 4 2 3 3 3 2 3 3 2 2 2 2 2 2 2 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 61 60 h 1H J 33 \| 50 50 t 1H J 33 \| 43 43 m 1H \| 21 20 m 1H \| 20 19 m 1H \| 19 16 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1ccc2nc(NC(=O)c3ccc(C(C)(C)C)cc3)cn2n1	ir: 0 3 6 3 1 5 7 5 5 5 5 3 2 4 7 2 1 4 6 6 8 11 9 3 3 4 5 2 4 7 7 3 5 6 6 1 2 5 6 2 4 8 6 6 8 88 49 53 10 7 6 5 6 5 8 7 15 15 10 12 28 19 15 25 41 64 37 4 6 8 5 1 5 7 2 0 9 5 1 1 4 5 1 1 4 4 1 1 5 4 1 1 6 5 4 9 17 6 1 3 6 3 2 3 8 6 28 16 7 24 16 5 8 9 4 6 7 5 7 5 6 6 4 5 8 11 14 16 15 3 2 8 30 14 4 26 6 2 4 5 45 3 2 18 55 47 15 24 13 9 29 28 19 10 5 7 7 10 100 29 5 8 29 7 11 1 2 5 3 0 3 5 3 0 3 5 3 1 3 5 2 1 3 5 2 0 3 4 2 1 3 4 1 1 3 4 1 1 4 4 1 1 4 3 1 1 4 3 1 2 4 3 1 2 4 3 0 2 4 3 0 2 5 3 0 2 5 2 0 2 4 2 0 3 5 2 1 3 4 2 0 3 4 2 1 3 4 2 1 3 4 1 1 3 4 1 1 4 3 1 1 4 3 1 2 4 3 1 3 5 6 2 2 5 3 1 2 5 4 4 5 9 8 14 24 17 16 35 63 16 24 24 22 11 5 5 6 7 3 2 7 8 4 4 5 6 2 5 10 22 39 52 49 32 13 6 6 4 2 2 4 4 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 0 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4; 1HNMR: 85 84 s 1H \| 80 80 d 1H J 90 \| 78 77 d 1H J 90 \| 77 77 m 3H \| 75 74 m 2H \| 25 25 s 3H \| 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(O)/C=C\C(=O)Nc1cccc(O)c1	ir: 9 9 8 9 9 13 9 9 9 9 9 9 10 11 11 12 11 9 8 10 12 11 18 16 9 9 9 9 9 12 9 9 10 9 10 12 11 20 16 11 9 9 9 9 9 9 13 16 18 11 10 10 9 8 9 9 9 14 34 28 12 9 10 11 9 9 16 22 13 9 9 10 8 8 9 9 9 9 11 17 15 12 18 34 16 9 11 10 8 8 9 10 10 9 11 9 8 8 9 9 8 9 11 9 9 9 9 9 9 11 17 9 8 8 9 9 8 9 9 9 8 9 9 8 8 9 9 9 10 13 9 9 8 9 9 8 8 9 10 11 13 9 9 11 16 13 17 17 14 10 9 8 9 11 9 9 14 14 9 9 9 9 14 18 9 9 9 8 9 9 8 8 8 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 8 8 8 9 8 8 8 9 9 8 8 9 8 8 8 9 8 8 8 9 8 8 8 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 9 9 9 9 9 9 9 8 9 9 9 9 9 8 9 9 9 9 9 9 9 12 10 9 21 23 12 12 9 6 9 13 9 27 100 0 12 13 8 6 10 11 8 7 9 10 8 8 10 10 8 9 15 20 13 11 10 9 8 8 9 9 8 9 9 9 8 8 9 9 8 8 9 9 8 8 9 8 8 8 9 8 8 8 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 8 8 8 9 8 8 8 9 8 8; 1HNMR: 73 73 m 1H \| 72 72 m 3H \| 67 66 m 4H \| 63 63 d 1H J 110	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCC1(CN)CCCC1	ir: 7 6 5 9 8 4 1 4 7 3 2 5 7 3 2 4 7 4 4 6 7 4 5 5 7 3 3 5 5 3 2 5 5 3 3 5 5 2 5 7 6 1 5 8 7 4 5 10 8 9 8 15 11 8 9 11 18 14 29 17 29 15 29 20 25 17 24 47 35 6 6 12 13 14 42 92 54 18 23 32 16 6 22 41 15 23 25 7 3 6 16 12 8 8 7 6 3 3 7 5 2 7 11 7 3 7 10 15 16 9 10 8 14 11 11 7 0 7 12 7 5 26 29 27 50 53 55 49 48 18 31 52 30 43 67 64 23 15 10 4 3 7 6 2 3 6 6 2 3 6 5 2 3 6 5 1 3 6 4 1 3 6 4 1 3 6 4 0 3 6 4 0 3 6 3 1 4 6 3 1 4 6 3 1 4 6 2 1 4 5 2 1 4 5 2 2 5 5 2 2 5 5 2 2 5 4 2 2 5 4 1 2 5 4 1 3 5 4 1 3 6 3 1 3 6 3 0 3 6 3 0 3 6 3 1 4 6 3 1 4 5 3 1 4 5 2 1 4 5 2 2 4 5 2 2 5 5 2 2 5 5 2 3 6 4 3 3 6 5 2 3 6 5 3 5 8 11 6 5 7 4 1 5 16 11 14 6 7 4 2 5 6 4 3 7 9 9 5 17 22 19 61 100 60 51 47 28 34 52 85 54 11 7 4 5 4 3 4 4 4 2 3 5 4 2 2 5 4 2 3 5 4 1 3 5 3 2 3 5 3 2 3 5 4 2 3 5 3 1 4 5 3 2 3 5 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 4 3 2 3 5 3 1 3 5 3 1 3 5 3 1; 1HNMR: 34 33 s 2H \| 33 33 s 3H \| 28 28 t 2H J 63 \| 18 17 m 3H \| 18 17 m 1H \| 17 16 m 4H \| 14 13 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(Br)cc(Nc2cnc(N3CCN(C4COC4)CC3)cn2)c1=O	ir: 6 10 8 11 6 8 9 38 8 9 6 7 6 10 7 6 17 15 7 6 9 9 8 14 5 5 4 7 6 6 7 17 33 35 47 100 19 25 49 16 5 7 7 5 6 6 7 3 13 0 14 27 7 7 5 4 9 8 11 7 5 5 9 23 7 6 7 6 12 8 28 15 8 23 29 7 7 7 4 4 5 13 18 8 6 6 19 7 6 6 22 46 8 6 6 13 10 6 5 9 8 6 6 10 13 10 8 20 7 6 6 5 9 6 6 6 5 10 17 13 15 11 8 9 10 11 6 24 17 25 19 8 9 20 21 21 13 6 24 18 7 6 5 14 6 7 18 13 9 10 84 5 4 6 5 5 11 9 7 5 5 4 13 5 21 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 3 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 5 5 4 4 5 6 5 4 9 8 6 4 13 10 13 17 16 8 4 4 4 5 4 5 5 5 4 3 5 5 6 7 11 18 22 83 27 21 9 7 6 5 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 84 84 s 1H \| 83 83 s 1H \| 82 81 p 1H J 11 \| 75 75 s 1H \| 74 74 d 1H J 13 \| 39 39 dd 2H J 40 92 \| 37 36 m 6H \| 36 35 p 1H J 40 \| 34 34 d 3H J 10 \| 29 28 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCc1ccc2nccn2c1)c1ccc(S(=O)(=O)c2ccccc2)cc1	ir: 16 24 35 11 3 13 3 10 6 12 33 39 82 13 19 19 18 44 96 17 10 5 10 4 4 5 8 5 6 17 30 19 19 55 17 6 9 27 14 6 51 12 18 29 7 14 8 8 13 30 12 13 12 13 7 16 16 5 2 0 4 7 24 10 94 4 13 7 3 3 6 3 9 4 6 7 4 15 38 4 13 11 4 3 12 51 94 46 100 16 27 23 9 8 14 7 7 5 16 23 26 13 21 27 9 3 5 2 0 2 3 4 1 3 4 5 0 5 7 14 23 44 32 21 11 8 8 9 12 11 4 5 7 10 21 19 4 3 6 3 10 13 29 48 17 6 5 5 3 4 8 3 3 4 3 1 2 2 14 1 1 2 2 0 1 2 2 1 1 3 5 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 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 2 1 1 2 2 1 2 11 4 1 2 3 3 2 6 26 31 32 67 85 23 14 5 3 2 2 2 3 2 1 2 2 1 1 2 2 2 2 2 3 3 3 10 11 8 8 4 3 2 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 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; 1HNMR: 90 89 h 1H J 9 \| 84 84 t 1H J 47 \| 81 80 s 4H \| 79 79 m 2H \| 79 78 d 1H J 40 \| 77 77 d 1H J 40 \| 76 75 m 3H \| 75 74 m 2H \| 44 44 dt 2H J 10 47	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C1C[C@@H]2C(=O)OC(=O)[C@@H]2C1	ir: 2 2 5 5 2 15 5 4 2 2 3 1 1 3 3 1 1 2 2 1 1 2 5 3 1 3 2 1 1 2 2 1 1 2 2 1 1 4 4 2 2 2 2 1 2 3 2 0 1 3 1 0 2 3 1 0 2 3 2 1 2 4 2 0 1 3 1 1 2 3 1 0 20 20 3 1 2 2 1 1 2 2 1 1 2 3 1 1 2 2 2 2 3 2 1 1 5 4 2 1 2 2 1 8 13 5 4 3 3 3 5 9 13 4 12 10 10 6 2 2 3 2 1 4 6 3 1 2 3 1 1 3 5 1 1 2 2 1 1 3 3 1 1 7 91 100 6 2 1 2 2 2 2 1 1 2 3 2 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 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 2 1 1 2 2 1 1 2 2 1 2 3 2 2 2 3 3 5 11 10 4 4 10 12 2 1 2 2 2 7 19 4 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 50 50 dq 1H J 10 20 \| 48 48 dp 1H J 9 20 \| 33 33 m 2H \| 25 24 m 2H \| 23 22 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OC[C@@H]1C[C@@]1(CO)c1cccc(F)c1	ir: 1 1 1 2 2 2 2 3 0 1 1 1 2 1 2 1 1 1 1 1 1 1 2 2 1 1 1 0 1 1 1 1 2 3 3 1 0 0 0 1 1 2 2 1 1 0 4 3 7 2 1 1 2 1 1 1 1 1 1 1 0 1 1 1 3 4 2 12 12 6 2 3 1 0 1 3 1 2 1 2 4 1 2 5 5 4 15 15 31 13 7 5 2 1 1 1 1 1 1 1 3 3 3 2 1 1 0 1 1 1 1 1 0 0 0 1 1 2 1 3 3 3 5 3 4 2 2 2 1 1 0 1 1 0 0 0 0 0 0 4 6 2 2 24 25 14 4 2 2 3 1 3 2 2 2 6 0 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 2 1 0 2 2 2 1 2 1 2 1 3 5 8 4 19 21 30 5 3 4 4 7 9 100 35 6 1 2 1 1 1 1 1 1 0 0 0 0 1 0 1 1 1 1 1 1 1 1 0 1 1 0 1 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 td 1H J 50 75 \| 72 71 ddd 1H J 12 22 76 \| 70 69 m 1H \| 69 68 dt 1H J 22 121 \| 43 42 dd 1H J 51 112 \| 42 42 dd 1H J 48 110 \| 41 40 dd 1H J 52 111 \| 40 39 dd 1H J 48 112 \| 24 23 t 1H J 48 \| 22 22 dq 1H J 53 62 \| 20 19 s 2H \| 19 18 dd 1H J 61 80 \| 15 14 dd 1H J 52 80	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)COc1cnc(Br)nc1N	ir: 8 5 4 2 3 4 3 3 2 5 4 2 3 4 3 2 4 2 2 1 2 2 2 2 1 2 3 2 2 2 2 1 2 1 3 5 6 11 18 33 15 3 4 3 2 1 1 2 2 1 1 1 2 1 2 2 1 2 1 2 1 1 2 1 1 1 2 2 1 1 1 1 1 2 4 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 2 2 1 1 2 2 1 1 1 2 1 1 1 2 1 24 15 3 1 1 1 2 4 1 1 1 1 0 1 2 5 16 4 2 1 1 1 1 1 1 1 2 4 5 5 5 3 10 6 7 16 11 2 5 6 23 26 28 4 9 4 14 2 1 1 1 0 0 1 1 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 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 2 2 1 1 1 1 0 1 1 3 2 1 2 1 0 0 1 1 1 1 1 1 0 1 1 0 0 1 1 3 14 12 5 1 1 1 1 0 0 1 1 2 7 100 24 4 1 1 1 1 0 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 78 78 s 1H \| 61 61 s 2H \| 49 49 s 2H \| 43 42 q 2H J 66 \| 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.
N#CCC1CCC(c2nc3c(n2O)-c2ccncc2Nc2ncccc2-3)CC1	ir: 5 5 5 2 6 5 2 4 1 1 2 2 1 1 3 2 4 5 3 4 3 3 2 1 3 1 0 1 1 2 3 3 3 3 9 13 4 3 2 11 6 7 2 1 1 3 0 1 3 2 1 2 2 4 2 1 1 3 2 2 1 1 6 5 0 1 0 1 1 2 2 1 1 1 2 2 3 1 1 3 4 11 2 3 5 21 5 2 1 1 1 9 16 3 1 2 8 23 12 3 0 1 2 2 5 4 4 3 4 3 1 9 3 0 2 5 3 1 1 2 1 2 3 2 4 8 3 2 0 1 1 1 2 1 1 1 2 9 6 3 5 11 12 8 6 5 2 15 2 1 3 1 1 2 4 3 10 1 1 1 11 0 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 1 0 0 1 1 1 2 3 1 0 1 2 1 1 2 4 4 3 4 16 14 4 2 1 1 1 2 100 19 2 0 0 0 0 0 0 0 0 0 0 0 0 2 4 3 3 5 6 3 2 0 0 0 0 0 0 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 0 0 0 0 0 0; 1HNMR: 94 94 s 1H \| 87 86 dd 1H J 14 39 \| 86 85 d 1H J 12 \| 84 84 dd 1H J 22 44 \| 82 81 dd 1H J 21 87 \| 77 76 d 1H J 39 \| 74 73 dd 1H J 44 88 \| 29 28 p 1H J 55 \| 24 24 d 2H J 46 \| 21 20 m 2H \| 19 16 m 6H \| 15 14 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCN1[C@H](C)CN(c2cccc(C(C)=O)c2)C[C@@H]1C	ir: 0 5 8 28 7 4 13 12 4 9 4 5 2 9 5 3 3 9 24 2 5 49 4 2 2 2 6 5 18 6 7 11 13 13 6 7 4 3 1 2 2 3 4 8 9 3 9 15 16 15 12 1 2 3 3 3 4 25 4 0 7 16 8 2 8 14 13 31 19 50 7 7 9 2 4 8 3 13 11 19 9 9 8 7 62 19 6 5 11 9 10 34 16 12 5 17 6 5 8 10 5 8 10 4 6 3 2 6 4 4 3 4 3 6 3 4 6 5 14 7 4 3 6 12 28 21 12 13 22 33 13 12 4 5 3 4 4 6 3 33 14 9 8 12 68 41 14 4 2 6 2 2 4 9 2 2 2 9 10 2 2 2 3 8 8 3 2 2 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 2 1 1 1 1 2 2 4 9 2 2 3 3 5 3 3 3 4 10 7 12 27 36 26 23 52 100 21 3 7 3 2 1 2 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 76 ddd 1H J 12 22 80 \| 73 72 m 1H \| 72 72 t 1H J 21 \| 68 68 ddd 1H J 12 21 75 \| 36 35 dd 2H J 24 108 \| 33 33 dd 2H J 51 108 \| 31 30 qdd 2H J 24 51 76 \| 27 26 dt 1H J 61 121 \| 26 25 s 2H \| 25 25 dt 1H J 61 121 \| 16 14 m 2H \| 12 11 d 6H J 75 \| 10 9 t 3H J 74	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC1CC2CCC1(O)C2	ir: 3 1 3 2 3 2 1 1 2 1 0 2 1 1 1 3 1 2 1 1 1 1 1 1 1 1 0 0 0 1 1 1 0 1 0 0 0 0 1 1 0 1 0 1 0 0 0 0 1 1 1 1 1 1 0 0 0 0 0 0 2 0 1 2 0 1 1 3 2 3 5 4 2 3 3 5 5 8 2 4 1 2 0 4 12 17 24 6 8 9 6 9 6 7 2 2 1 5 1 1 1 1 1 1 1 1 2 1 1 4 1 0 1 4 2 2 1 1 2 1 1 1 3 1 1 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 1 1 1 2 2 1 1 2 1 1 2 2 1 11 3 2 2 3 3 2 3 3 7 8 100 21 2 3 2 1 1 2 2 2 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 38 37 q 1H J 43 \| 36 36 d 1H J 38 \| 33 33 s 1H \| 24 23 ddq 1H J 38 62 80 \| 19 18 m 4H \| 17 16 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCN(CCC)c1nc2c(c(-c3ccc(Cl)cc3C)cn2C)c(=O)n1C	ir: 22 14 4 11 7 14 27 27 10 9 17 29 19 22 9 21 10 10 25 12 12 11 7 8 51 53 15 13 8 5 17 10 6 5 5 8 6 3 5 8 9 10 5 7 6 11 10 7 5 9 12 34 93 0 42 25 9 44 15 9 8 4 7 12 18 9 7 10 14 11 12 100 13 15 8 9 3 3 8 20 6 4 13 14 25 70 22 15 12 51 16 21 6 6 10 7 8 9 29 15 5 12 8 13 12 22 11 9 9 10 8 14 26 22 7 10 5 17 33 27 16 12 21 15 22 37 69 10 19 12 21 36 14 27 11 10 9 8 6 5 5 6 10 11 21 33 10 16 44 30 47 13 35 89 23 9 8 4 4 6 6 4 4 4 4 4 4 3 4 4 4 3 5 4 4 6 62 14 4 2 4 4 3 3 4 4 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 4 4 4 3 4 4 3 3 4 4 3 3 3 4 4 3 4 4 3 3 4 4 3 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 5 7 13 9 8 10 10 11 7 5 7 13 8 6 24 36 35 23 66 41 66 13 8 7 5 5 6 6 5 4 4 4 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 4 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 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; 1HNMR: 75 75 d 1H J 83 \| 74 73 dd 1H J 22 82 \| 72 71 m 2H \| 39 39 s 3H \| 34 34 s 2H \| 34 33 t 4H J 63 \| 24 24 s 2H \| 16 15 qt 4H J 64 79 \| 9 8 t 6H J 79	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1COc2ccc(CNC3CCN(CCN4C(=O)COc5c(F)cc(F)cc54)CC3)nc2N1	ir: 1 3 2 4 4 4 4 2 4 1 3 2 3 3 10 20 6 8 8 5 3 1 4 3 3 7 5 58 7 30 18 20 4 7 5 4 17 16 23 14 14 9 12 8 24 10 15 5 4 7 6 13 20 8 26 10 7 16 5 2 6 7 8 6 10 8 19 38 24 6 4 11 7 3 3 5 3 3 6 3 13 7 0 8 2 2 4 7 6 2 5 5 7 6 4 3 2 2 4 3 6 8 11 6 14 20 9 15 2 7 4 3 17 8 5 21 6 8 15 10 9 12 6 5 5 3 6 13 13 7 3 4 10 22 14 22 23 14 13 2 7 3 1 3 2 1 1 16 6 7 56 16 8 6 24 20 49 8 4 45 6 6 31 1 1 2 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 6 7 5 5 3 2 3 5 2 11 8 18 11 22 23 20 4 5 3 3 2 1 2 3 2 1 1 4 2 1 6 10 25 100 12 16 23 31 100 13 6 3 11 6 4 4 2 1 2 1 0 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 0; 1HNMR: 76 76 d 1H J 84 \| 73 72 dt 1H J 9 84 \| 70 69 m 2H \| 48 47 s 2H \| 47 47 s 2H \| 41 40 m 4H \| 30 30 dp 1H J 40 80 \| 29 28 m 5H \| 28 27 ddd 2H J 58 84 128 \| 19 19 dddd 2H J 40 57 82 124 \| 17 16 dddd 2H J 40 57 84 126	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

Subsets and Splits

No community queries yet

The top public SQL queries from the community will appear here once available.