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0 0 0\n 9 10 1 0 0 0 0\n 11 10 2 3 0 0 0\n 12 11 1 0 0 0 0\n 13 12 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 19 21 2 0 0 0 0\n 9 22 1 0 0 0 0\n 23 22 1 0 0 0 0\n 24 23 1 0 0 0 0\n 24 25 1 0 0 0 0\n 25 26 1 0 0 0 0\n 26 27 1 0 0 0 0\n 27 28 1 0 0 0 0\n 28 29 1 0 0 0 0\n 29 30 1 0 0 0 0\n 30 31 2 0 0 0 0\n 30 32 1 0 0 0 0\n 22 33 1 0 0 0 0\n 34 33 2 0 0 0 0\n 34 1 1 0 0 0 0\n 1 35 1 0 0 0 0\n 35 36 1 0 0 0 0\n 36 37 1 0 0 0 0\n 37 38 1 0 0 0 0\n 38 39 1 0 0 0 0\n 39 40 1 0 0 0 0\n 43 41 1 0 0 0 0\n 43 42 1 0 0 0 0\n 44 43 1 0 0 0 0\n 45 44 1 0 0 0 0\n 46 45 1 0 0 0 0\n 47 46 1 0 0 0 0\n 49 48 1 0 0 0 0\n 50 49 1 0 0 0 0\n 51 50 1 0 0 0 0\n 52 51 1 0 0 0 0\n 53 52 1 0 0 0 0\n 54 53 2 0 0 0 0\n 55 54 1 0 0 0 0\n 56 55 1 0 0 0 0\n 57 56 2 0 0 0 0\n 58 57 1 0 0 0 0\n 59 58 1 0 0 0 0\n 60 59 1 0 0 0 0\n 61 60 1 0 0 0 0\n 62 61 1 0 0 0 0\n 63 62 1 0 0 0 0\n 64 63 1 0 0 0 0\n 65 47 1 0 0 0 0\n 65 64 1 0 0 0 0\n 65 66 2 0 0 0 0\n 69 67 1 0 0 0 0\n 69 68 1 0 0 0 0\n 70 69 1 0 0 0 0\n 71 70 1 0 0 0 0\n 72 71 1 0 0 0 0\n 73 72 1 0 0 0 0\n 91 73 1 0 0 0 0\n 75 74 1 0 0 0 0\n 76 75 1 0 0 0 0\n 77 76 1 0 0 0 0\n 78 77 1 0 0 0 0\n 79 78 1 0 0 0 0\n 80 79 2 0 0 0 0\n 81 80 1 0 0 0 0\n 82 81 1 0 0 0 0\n 83 82 2 0 0 0 0\n 84 83 1 0 0 0 0\n 85 84 1 0 0 0 0\n 86 85 1 0 0 0 0\n 87 86 1 0 0 0 0\n 88 87 1 0 0 0 0\n 89 88 1 0 0 0 0\n 90 89 1 0 0 0 0\n 91 90 1 0 0 0 0\n 91 92 2 0 0 0 0\nM STY 1 1 MUL\nM SCN 1 1 HT \nM SAL 1 15 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55\nM SAL 1 15 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70\nM SAL 1 15 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85\nM SAL 1 7 86 87 88 89 90 91 92\nM SPA 1 15 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55\nM SPA 1 11 56 57 58 59 60 61 62 63 64 65 66\nM SDI 1 4 0.2517 -15.7704 0.2517 -12.8019\nM SDI 1 4 18.2279 -12.8019 18.2279 -15.7704\nM SMT 1 2\nM END", "smiles": "CCCCCCC1C=CC(CCCCCCCC(=O)O)C(C=CCCCCCCCC(=O)O)C1CCCCCC.CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)NCCCN(C)C.CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)NCCCN(C)C", "formula": "C36H64O4.2C23H44N2O", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "MIXED", "defined_stereo": 0, "ez_centers": 4, "molecular_weight": "1290.1106", "optical_activity": "UNSPECIFIED", "references": [ "5e3540e9-7ec5-4e30-928d-fa0b5c738c60", "53699be0-b93e-445d-89e4-b7c30fc0d148" ], "stereo_centers": 4 }, "unii": "HHC529E6Y8" } ] }