SMILES,name,canvasUID,MoleculeID,CERAPP_Ago_pred,AD_CERAPP_Ago,AD_index_CERAPP_Ago,Conf_index_CERAPP_Ago,CERAPP_Anta_pred,AD_CERAPP_Anta,AD_index_CERAPP_Anta,Conf_index_CERAPP_Anta,CERAPP_Bind_pred,AD_CERAPP_Bind,AD_index_CERAPP_Bind,Conf_index_CERAPP_Bind,CoMPARA_Ago_pred,AD_CoMPARA_Ago,AD_index_CoMPARA_Ago,Conf_index_CoMPARA_Ago,CoMPARA_Anta_pred,AD_CoMPARA_Anta,AD_index_CoMPARA_Anta,Conf_index_CoMPARA_Anta,CoMPARA_Bind_pred,AD_CoMPARA_Bind,AD_index_CoMPARA_Bind,Conf_index_CoMPARA_Bind,CATMoS_VT_pred,CATMoS_NT_pred,CATMoS_EPA_pred,CATMoS_GHS_pred,CATMoS_LD50_pred,CATMoS_LD50_predRange,AD_CATMoS,AD_index_CATMoS,Conf_index_CATMoS,Num aliphatic rings,Molecule cyclized degree,#stars,#amine,#amidine,#acid,#amide,#rotor,#rtvFG,CNS,mol MW,dipole,SASA,FOSA,FISA,PISA,WPSA,volume,donorHB,accptHB,dip^2/V,ACxDN^.5/SA,glob,QPpolrz,QPlogPC16,QPlogPoct,QPlogPw,QPlogPo/w,QPlogS,CIQPlogS,QPlogHERG,QPPCaco,QPlogBB,QPPMDCK,QPlogKp,IP(eV),EA(eV),#metab,QPlogKhsa,HumanOralAbsorption,PercentHumanOralAbsorption,SAfluorine,SAamideO,PSA,#NandO,RuleOfFive,RuleOfThree,#ringatoms,#in34,#in56,#noncon,#nonHatm,Jm,FUB_pred,FUB_predRange,AD_FUB,AD_index_FUB,Conf_index_FUB,Clint_pred,Clint_predRange,AD_Clint,AD_index_Clint,Conf_index_Clint,CACO2_pred,CACO2_predRange,AD_CACO2,AD_index_CACO2,Conf_index_CACO2,LogOH_pred,LogOH_predRange,AD_AOH,AD_index_AOH,Conf_index_AOH,LogBCF_pred,BCF_predRange,AD_BCF,AD_index_BCF,Conf_index_BCF,BioDeg_LogHalfLife_pred,BioDeg_predRange,AD_BioDeg,AD_index_BioDeg,Conf_index_BioDeg,ReadyBiodeg_pred,AD_ReadyBiodeg,AD_index_ReadyBiodeg,Conf_index_ReadyBiodeg,LogKM_pred,KM_predRange,AD_KM,AD_index_KM,Conf_index_KM,LogKoc_pred,Koc_predRange,AD_Koc,AD_index_Koc,Conf_index_Koc,MolWeight,nbAtoms,nbHeavyAtoms,nbC,nbO,nbN,nbAromAtom,nbRing,nbHeteroRing,Sp3Sp2HybRatio,nbRotBd,nbHBdAcc,ndHBdDon,nbLipinskiFailures,TopoPolSurfAir,MolarRefract,CombDipolPolariz,Predicted POD rat-chr,95% CI rat-chr,log_LD50,Predicted POD rat-dev,95% CI rat-dev
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O=C(O)C[C@H](CC1)CC[C@@H]1[C@@H](C)CC,"cyclohexane,Custom_38,Custom_7",6,"cyclohexane,Custom_38,Custom_7",0,1,0.362,0.659,0,1,0.597,0.746,0,1,0.386,0.667,0,1,0.453,0.712,0,1,0.418,0.688,0,1,0.345,0.656,0,1,4,5,8887,[5000:16000],1,0.521,0.652,1,0.42857143,0,0,0,1,0,4,0,-1,198.305,0,449.414,351.696,97.718,0,0,762.501,1,2,0,0.0044502,0.8981427,21.793,6.35,9.64,4.018,3.126,-3.169,-2.369,-1.373,297.056,-0.485,169.429,-2.936,0,0,1,-0.026,3,89.507,0,0,47.807,2,0,0,6,0,6,6,14,0.19163785911271,0.02,[0.01:0.03],1,0.396,0.775,0.3,[0.01:22.87],1,0.31,0.372,-4.66,[-4.88:-4.44],1,0.313,0.603,-10.88,[-11.02:-10.74],1,0.428,0.732,0.84,[0.26:1.57],1,0.338,0.527,0.57,[0.49:0.65],0,0.339,0.715,1,1,0.495186910906883,0.593084958265968,-0.45,[-0.83:-0.07],1,0.305,0.566,2.15,[1.82:2.48],1,0.536,0.654,198.161979944,36,14,12,2,0,0,1,0,0.916666666666667,4,2,1,0,37.3,49.4465,0.541,1.57,0.917826007,3.94875518016827,1.93,0.924639
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C1CCC[C@@H](CCC(=O)O)[C@@H]1C[C@@H](C)CCC,"cyclohexane,Custom_39,Custom_19",793,"cyclohexane,Custom_39,Custom_19",0,1,0.318,0.618,0,1,0.577,0.718,0,1,0.36,0.611,0,1,0.463,0.717,0,1,0.425,0.683,0,1,0.416,0.691,0,1,4,5,6700,[3800:12000],1,0.429,0.47,1,0.35294118,1,0,0,1,0,7,0,-1,240.385,0,532.366,424.209,108.156,0,0,927.005,1,2,0,0.0037568,0.8636607,26.45,7.839,11.196,3.626,4.003,-4.093,-3.219,-1.931,236.513,-0.825,132.434,-2.841,0,0,1,0.294,3,92.87,0,0,50.946,2,0,0,6,0,6,6,17,0.0280221497398191,0.02,[0:0.04],1,0.356,0.759,5.79,[0.01:27.59],1,0.258,0.383,-4.79,[-5.12:-4.46],1,0.263,0.523,-10.78,[-10.95:-10.61],1,0.335,0.673,1.86,[1.52:2.2],1,0.416,0.631,0.57,[0.49:0.65],0,0.295,0.701,1,1,0.490134165338423,0.590558585481738,0.11,[-0.21:0.43],1,0.375,0.578,2.39,[2.18:2.6],1,0.45,0.681,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,7,2,1,1,37.3,63.2155,0.541,1.609198985,0.912841894,3.82607480270083,1.951544529,0.929619454
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O=C(O)[C@@H](C)[C@H]1[C@H](C(C)C)CCCC1,"cyclohexane,,Custom_5",804,"cyclohexane,,Custom_5",0,1,0.351,0.634,0,1,0.556,0.713,0,1,0.711,0.816,0,1,0.443,0.701,0,1,0.366,0.674,0,1,0.39,0.683,0,1,4,5,8941,[5000:16000],1,0.946,0.605,1,0.42857143,0,0,0,1,0,3,0,-1,198.305,0,430.288,344.225,86.063,0,0,732.359,1,2,0,0.0046481,0.9131778,21.229,6.084,9.385,4.113,2.925,-2.873,-2.369,-1.129,383.15,-0.305,223.079,-2.818,0,0,1,-0.063,3,90.312,0,0,45.45,2,0,0,6,0,6,6,14,0.381205405462127,0.05,[0:0.11],1,0.381,0.694,1.09,[0.01:23.19],1,0.304,0.366,-4.6,[-4.86:-4.34],1,0.307,0.588,-10.88,[-11.01:-10.75],1,0.423,0.731,0.49,[0.35:0.63],1,0.364,0.697,0.55,[0.49:0.6],0,0.377,0.745,1,1,0.496410499114503,0.554492306195855,-0.3,[-0.63:0.03],1,0.338,0.59,2.21,[1.91:2.48],1,0.5,0.653,198.161979944,36,14,12,2,0,0,1,0,0.916666666666667,3,2,1,0,37.3,51.1736,0.502,1.574918909,0.917826007,3.95138609488029,1.926491984,0.924638525
C1CCC[C@@H](CCCC)[C@@H]1[C@H](C)C(=O)O,"cyclohexane,,Custom_6",805,"cyclohexane,,Custom_6",0,1,0.298,0.595,0,1,0.589,0.727,0,1,0.414,0.687,0,1,0.5,0.723,0,1,0.408,0.684,0,1,0.39,0.645,0,1,4,5,8909,[5000:16000],1,0.627,0.644,1,0.4,1,0,0,1,0,5,0,-1,212.331,0,478.01,388.735,89.275,0,0,813.684,1,2,0,0.004184,0.8817896,23.199,6.689,9.869,3.808,3.425,-3.482,-2.65,-1.637,357.194,-0.503,206.79,-2.685,0,0,1,0.068,3,92.693,0,0,45.45,2,0,0,6,0,6,6,15,0.162664312928763,0.02,[0.01:0.03],1,0.385,0.772,1.12,[0.01:23.01],1,0.3,0.366,-4.6,[-4.87:-4.33],1,0.295,0.579,-10.88,[-11.01:-10.75],1,0.41,0.727,1.95,[1.58:2.32],1,0.377,0.603,0.6,[0.53:0.67],0,0.355,0.729,1,1,0.50201046511802,0.596496735371536,-0.25,[-0.42:-0.08],1,0.413,0.676,2.26,[1.91:2.61],1,0.511,0.652,212.177630008,39,15,13,2,0,0,1,0,0.923076923076923,5,2,1,1,37.3,53.0795,0.541,1.574918909,0.917826007,3.94982895893531,1.926491984,0.924638525
O=C(O)[C@@H](C)[C@H]1[C@H]([C@@H](C)CC)CCCC1,"cyclohexane,,Custom_7",806,"cyclohexane,,Custom_7",0,1,0.281,0.596,0,1,0.588,0.753,0,1,0.397,0.679,0,1,0.443,0.717,0,1,0.469,0.73,0,1,0.399,0.69,0,1,4,5,8831,[5000:16000],1,0.536,0.616,1,0.4,1,0,0,1,0,4,0,-1,212.331,0,453.316,367.608,85.708,0,0,782.029,1,2,0,0.0044119,0.90555,22.574,6.513,9.805,3.945,3.337,-3.333,-2.65,-1.253,386.128,-0.374,224.954,-2.715,0,0,1,0.029,3,92.78,0,0,45.45,2,0,0,6,0,6,6,15,0.290668416493691,0.02,[0.01:0.03],1,0.372,0.767,1.31,[0.01:23.28],1,0.288,0.363,-4.68,[-4.92:-4.44],1,0.298,0.593,-10.88,[-11.02:-10.74],1,0.39,0.72,1.93,[1.56:2.3],1,0.373,0.604,0.55,[0.49:0.6],0,0.361,0.74,1,1,0.483541434509627,0.548057773893417,-0.22,[-0.45:0.01],1,0.329,0.607,2.32,[1.96:2.68],1,0.478,0.621,212.177630008,39,15,13,2,0,0,1,0,0.923076923076923,4,2,1,1,37.3,54.2514,0.502,1.574918909,0.917826007,3.94600988476576,1.926491984,0.924638525
O=C(O)[C@@H](C)[C@H]1[C@H](CC(C)C)CCCC1,"cyclohexane,,Custom_8",807,"cyclohexane,,Custom_8",0,1,0.297,0.638,0,1,0.468,0.693,0,1,0.415,0.687,0,1,0.452,0.711,0,1,0.476,0.734,0,1,0.365,0.67,0,1,4,5,8832,[5000:16000],1,0.545,0.621,1,0.4,1,0,0,1,0,4,0,-1,212.331,0,459.557,370.282,89.275,0,0,792.94,1,2,0,0.004352,0.901542,23.011,6.616,9.998,3.985,3.366,-3.418,-2.65,-1.318,357.194,-0.41,206.79,-2.781,0,0,1,0.058,3,92.349,0,0,45.45,2,0,0,6,0,6,6,15,0.192922739225355,0.02,[0.01:0.03],1,0.369,0.759,1.22,[0.01:23.21],1,0.295,0.364,-4.61,[-4.88:-4.34],1,0.307,0.583,-10.88,[-11.01:-10.75],1,0.39,0.72,1.92,[1.55:2.29],1,0.376,0.602,0.55,[0.49:0.6],0,0.351,0.737,1,1,0.492743510738966,0.552658812008086,-0.22,[-0.45:0.01],1,0.356,0.62,2.22,[1.84:2.6],1,0.48,0.613,212.177630008,39,15,13,2,0,0,1,0,0.923076923076923,4,2,1,1,37.3,56.039,0.502,1.574918909,0.917826007,3.94605906038512,1.926491984,0.924638525
CC(C)(C)[C@H]1[C@H]([C@H](C)C(=O)O)CCCC1,"cyclohexane,,Custom_9",808,"cyclohexane,,Custom_9",1,1,0.332,0.562,0,1,0.514,0.662,1,1,0.417,0.657,0,1,0.433,0.703,0,1,0.412,0.697,0,1,0.361,0.662,0,1,4,5,8864,[5000:16000],1,0.487,0.748,1,0.4,0,0,0,1,0,3,0,-1,212.331,0,421.312,339.589,81.723,0,0,751.703,1,2,0,0.0047471,0.9489846,22.003,6.544,9.881,4.062,3.136,-2.795,-2.65,-0.55,421.232,-0.222,247.138,-2.738,0,0,1,-0.002,3,92.284,0,0,44.91,2,0,0,6,0,6,6,15,0.70960600588067,0.05,[0:0.12],1,0.352,0.668,1.52,[0.01:23.48],1,0.276,0.36,-4.63,[-4.87:-4.39],1,0.306,0.599,-10.79,[-10.96:-10.62],1,0.364,0.686,1.81,[1.54:2.08],1,0.398,0.647,0.57,[0.49:0.65],0,0.375,0.728,1,1,0.473869021724869,0.51868867431058,-0.29,[-0.62:0.04],1,0.308,0.576,2.17,[1.85:2.48],1,0.449,0.629,212.177630008,39,15,13,2,0,0,1,0,0.923076923076923,3,2,1,1,37.3,56.8027,0.462,1.574918909,0.917826007,3.94762974738435,1.926491984,0.924638525
C1CCC[C@H]([C@@H]1[C@H](C)C(=O)O)CCCCC,"cyclohexane,,Custom_10",809,"cyclohexane,,Custom_10",0,1,0.34,0.607,0,1,0.582,0.722,0,1,0.375,0.633,0,1,0.463,0.715,0,1,0.427,0.685,0,1,0.411,0.655,0,1,4,5,5218,[2900:9300],1,0.539,0.454,1,0.375,1,0,0,1,0,6,0,-1,226.358,0,509.609,420.334,89.275,0,0,872.087,1,2,0,0.0039246,0.8662329,24.894,7.179,10.345,3.664,3.783,-3.841,-2.934,-1.889,357.194,-0.591,206.79,-2.589,0,0,1,0.184,3,94.786,0,0,45.45,2,0,0,6,0,6,6,16,0.0841448732136557,0.02,[0.01:0.03],1,0.384,0.772,1.33,[0.01:23.07],1,0.286,0.363,-4.61,[-4.88:-4.34],1,0.281,0.572,-10.88,[-11.02:-10.74],1,0.378,0.715,1.95,[1.58:2.32],1,0.393,0.608,0.64,[0.52:0.76],0,0.346,0.693,1,1,0.502662344224688,0.59682267492487,-0.26,[-0.42:-0.1],1,0.392,0.671,2.36,[2.12:2.6],1,0.524,0.701,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,6,2,1,1,37.3,55.9911,0.541,1.574918909,0.917826007,3.7175040747642,1.926491984,0.924638525
C1CCC[C@@H]([C@@H](C)CCC)[C@@H]1[C@H](C)C(=O)O,"cyclohexane,,Custom_11",810,"cyclohexane,,Custom_11",0,1,0.312,0.594,0,1,0.581,0.749,0,1,0.371,0.643,0,1,0.836,0.869,0,1,0.44,0.703,0,1,0.721,0.815,0,1,4,5,8966,[5000:16000],1,0.523,0.61,1,0.375,1,0,0,1,0,5,0,-1,226.358,0,483.592,398.969,84.622,0,0,840.2,1,2,0,0.0041357,0.8904468,24.26,6.971,10.279,3.79,3.616,-3.532,-2.934,-1.497,395.391,-0.449,230.793,-2.599,0,0,1,0.143,3,94.601,0,0,45.45,2,0,0,6,0,6,6,16,0.167452335151871,0.02,[0.01:0.03],1,0.355,0.756,1.51,[0.01:23.2],1,0.277,0.362,-4.68,[-4.92:-4.44],1,0.288,0.587,-10.79,[-10.96:-10.62],1,0.355,0.682,1.89,[1.54:2.24],1,0.397,0.618,0.55,[0.49:0.6],0,0.35,0.736,1,1,0.474150755799665,0.543362434538436,0.24,[-0.23:0.98],1,0.361,0.441,2.35,[2.11:2.59],1,0.491,0.692,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,5,2,1,1,37.3,58.7032,0.502,1.574918909,0.917826007,3.95259873452977,1.926491984,0.924638525
C1CCC[C@@H](C[C@@H](C)CC)[C@@H]1[C@H](C)C(=O)O,"cyclohexane,,Custom_12",811,"cyclohexane,,Custom_12",0,1,0.325,0.601,0,1,0.581,0.749,0,1,0.367,0.633,0,1,0.5,0.71,0,1,0.453,0.7,0,1,0.391,0.645,0,1,4,5,8967,[5000:16000],1,0.604,0.643,1,0.375,1,0,0,1,0,5,0,-1,226.358,0,483.046,393.771,89.275,0,0,842.676,1,2,0,0.0041404,0.8932027,24.359,7.046,10.417,3.821,3.6,-3.523,-2.934,-1.453,357.194,-0.484,206.79,-2.685,0,0,1,0.151,3,93.718,0,0,45.45,2,0,0,6,0,6,6,16,0.140606185685359,0.02,[0.01:0.03],1,0.368,0.771,1.44,[0.01:23.21],1,0.281,0.362,-4.61,[-4.88:-4.34],1,0.288,0.575,-10.79,[-10.96:-10.62],1,0.355,0.682,1.9,[1.54:2.26],1,0.394,0.615,0.59,[0.52:0.66],0,0.341,0.723,1,1,0.494404826409337,0.553489469843272,-0.17,[-0.36:0.02],1,0.366,0.629,2.35,[2.11:2.59],1,0.493,0.693,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,5,2,1,1,37.3,59.1168,0.502,1.574918909,0.917826007,3.95264716975894,1.926491984,0.924638525
C1CCC[C@@H](CCC(C)C)[C@@H]1[C@H](C)C(=O)O,"cyclohexane,,Custom_13",812,"cyclohexane,,Custom_13",0,1,0.322,0.61,0,1,0.541,0.729,0,1,0.367,0.629,0,1,0.459,0.708,0,1,0.427,0.675,0,1,0.776,0.861,0,1,4,5,8968,[5000:16000],1,0.594,0.649,1,0.375,1,0,0,1,0,5,0,-1,226.358,0,495.772,406.497,89.275,0,0,857.163,1,2,0,0.0040341,0.8802211,24.939,7.108,10.525,3.851,3.69,-3.753,-2.934,-1.663,357.194,-0.506,206.79,-2.685,0,0,1,0.188,3,94.244,0,0,45.45,2,0,0,6,0,6,6,16,0.0826931625560419,0.02,[0.01:0.03],1,0.348,0.754,1.42,[0.01:23.21],1,0.283,0.363,-4.61,[-4.88:-4.34],1,0.289,0.576,-10.79,[-10.96:-10.62],1,0.355,0.682,1.81,[1.54:2.08],1,0.427,0.657,0.6,[0.53:0.67],0,0.345,0.725,1,1,0.49974550674035,0.556159810008779,-0.01,[-0.37:0.42],1,0.397,0.588,2.35,[2.11:2.59],1,0.494,0.693,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,5,2,1,1,37.3,60.0772,0.502,1.574918909,0.917826007,3.95269559958692,1.926491984,0.924638525
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C1CCC[C@H]([C@@H]1[C@H](C)C(=O)O)[C@@H](C)CCCC,"cyclohexane,,Custom_18",817,"cyclohexane,,Custom_18",0,1,0.306,0.602,0,1,0.536,0.657,0,1,0.329,0.619,0,1,0.874,0.908,0,1,0.415,0.678,0,1,0.391,0.649,0,1,4,5,5374,[3000:9600],1,0.689,0.619,1,0.35294118,1,0,0,1,0,6,0,-1,240.385,0,515.189,430.566,84.622,0,0,898.6,1,2,0,0.0038821,0.8741308,25.955,7.447,10.754,3.646,3.986,-3.942,-3.219,-1.761,395.391,-0.536,230.793,-2.503,0,0,1,0.259,3,96.766,0,0,45.45,2,0,0,6,0,6,6,17,0.0861795932549999,0.02,[0:0.04],1,0.36,0.757,5.69,[0.01:27.41],1,0.265,0.386,-4.69,[-4.94:-4.44],1,0.273,0.581,-10.82,[-10.97:-10.65],1,0.327,0.678,1.88,[1.53:2.23],1,0.406,0.623,0.6,[0.53:0.67],0,0.344,0.725,1,1,0.471932690147428,0.58145784788624,0.53,[-0.04:1.22],1,0.365,0.445,2.66,[2.17:3.21],1,0.463,0.552,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,6,2,1,1,37.3,61.6148,0.502,1.609198985,0.912841894,3.73029766209715,1.951544529,0.929619454
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C1CCC[C@@H](CC(C)(C)CC)[C@@H]1[C@H](C)C(=O)O,"cyclohexane,,Custom_25",824,"cyclohexane,,Custom_25",1,1,0.311,0.558,0,1,0.511,0.658,1,1,0.417,0.528,0,1,0.493,0.706,0,1,0.45,0.7,0,1,0.386,0.658,0,1,3,5,2700,[1500:4800],1,0.684,0.622,1,0.35294118,1,0,0,1,0,5,0,-1,240.385,0,483.341,394.066,89.275,0,0,860.377,1,2,0,0.0041379,0.905116,25.068,7.292,10.797,3.821,3.716,-3.527,-3.219,-1.26,357.194,-0.464,206.79,-2.685,0,0,1,0.202,3,94.394,0,0,45.45,2,0,0,6,0,6,6,17,0.147498540834372,0.01,[0.01:0.02],1,0.338,0.745,5.96,[0.01:27.66],1,0.258,0.386,-4.65,[-4.9:-4.4],1,0.277,0.583,-10.82,[-10.97:-10.65],1,0.309,0.67,1.81,[1.54:2.08],1,0.508,0.687,0.6,[0.53:0.67],0,0.332,0.721,1,1,0.471028332078268,0.541801222677738,0.27,[-0.22:0.76],1,0.344,0.523,2.95,[2.33:3.57],1,0.448,0.527,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,5,2,1,1,37.3,65.6356,0.462,1.609198985,0.912841894,3.43136376415899,1.951544529,0.929619454
C1CCC[C@@H](CCC(C)(C)C)[C@@H]1[C@H](C)C(=O)O,"cyclohexane,,Custom_26",825,"cyclohexane,,Custom_26",0,1,0.313,0.603,0,1,0.551,0.678,1,1,0.405,0.522,0,1,0.455,0.711,0,1,0.774,0.863,0,1,0.815,0.872,0,1,3,5,2701,[1500:4800],1,0.684,0.622,1,0.35294118,1,0,0,1,0,5,0,-1,240.385,0,509.727,420.451,89.275,0,0,899.718,1,2,0,0.0039237,0.8842302,26.642,7.543,11.222,3.885,3.963,-4.006,-3.219,-1.598,357.194,-0.499,206.79,-2.685,0,0,1,0.307,3,95.841,0,0,45.45,2,0,0,6,0,6,6,17,0.0489989208076745,0.02,[0.01:0.03],1,0.325,0.737,5.89,[0.01:27.65],1,0.263,0.386,-4.65,[-4.9:-4.4],1,0.277,0.584,-10.82,[-10.97:-10.65],1,0.309,0.67,1.82,[1.55:2.09],1,0.524,0.692,0.6,[0.53:0.67],0,0.337,0.722,1,1,0.492466312949146,0.552520213113176,0.51,[-0.23:1.29],1,0.386,0.432,2.66,[2.17:3.21],1,0.445,0.545,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,5,2,1,1,37.3,65.3498,0.462,1.609198985,0.912841894,3.43152458418745,1.951544529,0.929619454
O=C(O)CCC[C@H]1[C@H](C)CCCC1,"cyclohexane,Custom_43,Custom_1",826,"cyclohexane,Custom_43,Custom_1",0,1,0.402,0.671,0,1,0.603,0.748,0,1,0.488,0.672,0,1,0.456,0.707,0,1,0.37,0.664,0,1,0.319,0.649,0,1,4,5,8974,[5000:16000],1,0.485,0.532,1,0.46153846,0,0,0,1,0,4,0,-1,184.278,0,438.395,330.239,108.156,0,0,728.921,1,2,0,0.0045621,0.8934839,20.449,6.05,9.259,4.062,2.746,-2.881,-2.09,-1.448,236.515,-0.581,132.435,-3.129,0,0,1,-0.119,3,85.513,0,0,50.947,2,0,0,6,0,6,6,13,0.180256380642239,0.07,[0.03:0.12],1,0.403,0.727,0.26,[0.01:22.3],1,0.319,0.382,-4.66,[-4.87:-4.45],1,0.281,0.594,-10.89,[-11.03:-10.75],1,0.453,0.735,0.49,[0.35:0.63],1,0.362,0.697,0.57,[0.49:0.65],0,0.319,0.709,1,1,0.494897095542612,0.747448547771306,-0.78,[-0.87:-0.66],1,0.301,0.658,1.98,[1.68:2.28],1,0.574,0.668,184.14632988,33,13,11,2,0,0,1,0,0.909090909090909,4,2,1,0,37.3,45.1968,0.58,1.574918909,0.917826007,3.95298606519706,1.926491984,0.924638525
O=C(O)CCC[C@H]1[C@H](CC)CCCC1,"cyclohexane,Custom_43,Custom_3",827,"cyclohexane,Custom_43,Custom_3",0,1,0.369,0.653,0,1,0.597,0.745,0,1,0.397,0.674,0,1,0.497,0.739,0,1,0.392,0.664,0,1,0.354,0.641,0,1,4,5,5005,[2800:8900],1,0.484,0.533,1,0.42857143,1,0,0,1,0,5,0,-1,198.305,0,461.628,353.472,108.156,0,0,777.914,1,2,0,0.0043325,0.8861236,21.768,6.493,9.667,3.897,3.058,-3.135,-2.369,-1.567,236.515,-0.656,132.435,-3.033,0,0,1,-0.029,3,87.341,0,0,50.947,2,0,0,6,0,6,6,14,0.134664527230216,0.03,[0.02:0.04],1,0.424,0.786,0.32,[0.01:23.08],1,0.294,0.365,-4.66,[-4.88:-4.44],1,0.284,0.593,-10.88,[-11.02:-10.74],1,0.437,0.732,0.86,[0.26:1.61],1,0.328,0.518,0.64,[0.52:0.76],0,0.312,0.682,1,1,0.498198883221373,0.594590944423213,-0.62,[-0.87:-0.31],1,0.297,0.619,2.08,[1.8:2.36],1,0.526,0.664,198.161979944,36,14,12,2,0,0,1,0,0.916666666666667,5,2,1,0,37.3,48.2746,0.58,1.574918909,0.917826007,3.69940408181534,1.926491984,0.924638525
O=C(O)CCC[C@H]1[C@H](CCC)CCCC1,"cyclohexane,Custom_43,Custom_4",828,"cyclohexane,Custom_43,Custom_4",0,1,0.343,0.619,0,1,0.509,0.7,0,1,0.405,0.681,0,1,0.5,0.739,0,1,0.418,0.687,0,1,0.376,0.639,0,1,4,5,5648,[3200:10000],1,0.412,0.479,1,0.4,1,0,0,1,0,6,0,-1,212.331,0,493.195,385.039,108.156,0,0,836.301,1,2,0,0.0040552,0.8704043,23.462,6.979,10.142,3.753,3.424,-3.543,-2.65,-1.821,236.515,-0.75,132.435,-2.937,0,0,1,0.086,3,89.483,0,0,50.947,2,0,0,6,0,6,6,15,0.0703485253999182,0.02,[0.01:0.03],1,0.399,0.777,1.2,[0.01:23.14],1,0.283,0.361,-4.67,[-4.9:-4.44],1,0.282,0.588,-10.88,[-11.02:-10.74],1,0.418,0.728,1.95,[1.58:2.32],1,0.38,0.604,0.64,[0.52:0.76],0,0.303,0.679,1,1,0.501834176222387,0.59640859092372,-0.48,[-0.82:-0.14],1,0.322,0.613,2.37,[2.12:2.62],1,0.543,0.703,212.177630008,39,15,13,2,0,0,1,0,0.923076923076923,6,2,1,1,37.3,52.7264,0.58,1.574918909,0.917826007,3.75189468804375,1.926491984,0.924638525
O=C(O)CCC[C@@H]([C@@H]1C(C)C)CCCC1,"cyclohexane,Custom_43,Custom_5",829,"cyclohexane,Custom_43,Custom_5",0,1,0.299,0.617,0,1,0.549,0.733,0,1,0.409,0.684,0,1,0.495,0.737,0,1,0.405,0.675,0,1,0.406,0.67,0,1,4,5,8898,[5000:16000],1,0.496,0.709,1,0.4,1,0,0,1,0,5,0,-1,212.331,0,478.6,370.445,108.156,0,0,813.892,1,2,0,0.0041789,0.8808523,23.207,6.818,10.172,3.938,3.322,-3.478,-2.65,-1.652,236.515,-0.667,132.435,-3.033,0,0,1,0.069,3,88.885,0,0,50.947,2,0,0,6,0,6,6,15,0.0712291862339287,0.02,[0.01:0.03],1,0.382,0.771,1.33,[0.01:23.34],1,0.279,0.36,-4.67,[-4.89:-4.45],1,0.273,0.586,-10.88,[-11.02:-10.74],1,0.394,0.721,1.9,[1.54:2.26],1,0.378,0.61,0.57,[0.49:0.65],0,0.304,0.704,1,1,0.506664678548504,0.598823842086778,-0.44,[-0.82:-0.06],1,0.293,0.56,2.35,[2.11:2.59],1,0.507,0.695,212.177630008,39,15,13,2,0,0,1,0,0.923076923076923,5,2,1,1,37.3,53.7321,0.541,1.574918909,0.917826007,3.94929240141203,1.926491984,0.924638525
O=C(O)CCC[C@H]1[C@H](CCCC)CCCC1,"cyclohexane,Custom_43,Custom_6",830,"cyclohexane,Custom_43,Custom_6",0,1,0.341,0.616,0,1,0.503,0.682,0,1,0.361,0.623,0,1,0.461,0.726,0,1,0.436,0.703,0,1,0.398,0.675,0,1,4,5,6706,[3800:12000],1,0.403,0.477,1,0.375,1,0,0,1,0,7,0,-1,226.358,0,524.495,416.123,108.372,0,0,894.1,1,2,0,0.0038132,0.8557517,25.133,7.482,10.613,3.609,3.789,-3.949,-2.934,-2.059,235.404,-0.845,131.763,-2.845,0,0,1,0.201,3,91.583,0,0,50.856,2,0,0,6,0,6,6,16,0.0363858558864811,0.03,[0.01:0.04],1,0.391,0.772,1.36,[0.01:23.13],1,0.272,0.359,-4.77,[-5.09:-4.45],1,0.271,0.523,-10.88,[-11.02:-10.74],1,0.392,0.72,1.95,[1.58:2.32],1,0.39,0.608,0.64,[0.52:0.76],0,0.292,0.675,1,1,0.488319753558807,0.58965137959193,-0.22,[-0.45:0.01],1,0.36,0.621,2.37,[2.13:2.61],1,0.509,0.694,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,7,2,1,1,37.3,55.638,0.58,1.574918909,0.917826007,3.8264635490928,1.926491984,0.924638525
O=C(O)CCC[C@@H]([C@@H]1[C@@H](C)CC)CCCC1,"cyclohexane,Custom_43,Custom_7",831,"cyclohexane,Custom_43,Custom_7",0,1,0.331,0.602,0,1,0.542,0.702,0,1,0.355,0.626,0,1,0.538,0.752,0,1,0.426,0.693,0,1,0.392,0.664,0,1,4,5,5652,[3200:10000],1,0.439,0.491,1,0.375,1,0,0,1,0,6,0,-1,226.358,0,502.17,394.014,108.156,0,0,863.742,1,2,0,0.0039827,0.8734486,24.56,7.268,10.592,3.774,3.6,-3.706,-2.934,-1.772,236.515,-0.743,132.435,-2.937,0,0,1,0.162,3,90.512,0,0,50.947,2,0,0,6,0,6,6,16,0.0515488289954895,0.02,[0.01:0.03],1,0.38,0.77,1.52,[0.01:23.23],1,0.266,0.359,-4.77,[-5.09:-4.45],1,0.267,0.521,-10.88,[-11.02:-10.74],1,0.362,0.709,1.93,[1.57:2.29],1,0.392,0.611,0.57,[0.49:0.65],0,0.297,0.701,1,1,0.48879747686981,0.589890241247432,-0.1,[-0.36:0.16],1,0.31,0.583,2.36,[2.12:2.6],1,0.519,0.699,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,6,2,1,1,37.3,56.8099,0.541,1.574918909,0.917826007,3.75220215317652,1.926491984,0.924638525
O=C(O)CCC[C@@H]([C@@H]1CC(C)C)CCCC1,"cyclohexane,Custom_43,Custom_8",832,"cyclohexane,Custom_43,Custom_8",0,1,0.32,0.637,0,1,0.462,0.662,0,1,0.354,0.623,0,1,0.505,0.727,0,1,0.421,0.695,0,1,0.383,0.657,0,1,4,5,5652,[3200:10000],1,0.491,0.497,1,0.375,1,0,0,1,0,6,0,-1,226.358,0,509.105,400.949,108.156,0,0,877.362,1,2,0,0.0039285,0.8705829,25.105,7.387,10.775,3.791,3.687,-3.832,-2.934,-1.819,236.515,-0.749,132.435,-2.937,0,0,1,0.2,3,91.018,0,0,50.947,2,0,0,6,0,6,6,16,0.0385665264201838,0.02,[0.01:0.03],1,0.359,0.768,1.47,[0.01:23.26],1,0.271,0.36,-4.77,[-5.1:-4.44],1,0.27,0.521,-10.88,[-11.02:-10.74],1,0.362,0.709,1.87,[1.52:2.22],1,0.403,0.623,0.57,[0.49:0.65],0,0.295,0.701,1,1,0.499301060728542,0.749650530364271,-0.22,[-0.45:0.01],1,0.338,0.612,2.36,[2.12:2.6],1,0.511,0.696,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,6,2,1,1,37.3,58.5975,0.541,1.574918909,0.917826007,3.75220215317652,1.926491984,0.924638525
O=C(O)CCC[C@@H]([C@@H]1C(C)(C)C)CCCC1,"cyclohexane,Custom_43,Custom_9",833,"cyclohexane,Custom_43,Custom_9",1,1,0.332,0.574,0,1,0.58,0.719,1,1,0.334,0.551,0,1,0.485,0.714,0,1,0.403,0.687,0,1,0.379,0.652,0,1,4,5,5110,[2900:9100],1,0.48,0.601,1,0.375,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,0.02,[0.01:0.03],1,0.332,0.745,5.91,[0.01:27.75],1,0.261,0.386,-4.78,[-5.1:-4.46],1,0.256,0.523,-10.78,[-10.95:-10.61],1,0.334,0.673,1.81,[1.54:2.08],1,0.454,0.667,0.57,[0.49:0.65],0,0.3,0.702,1,1,0.462924883425031,0.576953944525042,-0.1,[-0.36:0.16],1,0.293,0.575,2.36,[2.12:2.6],1,0.487,0.689,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,5,2,1,1,37.3,59.3612,0.501,1.574918909,0.917826007,3.70842090013471,1.926491984,0.924638525
O=C(O)CCC[C@H]1[C@@H](CCCC1)CCCCC,"cyclohexane,Custom_43,Custom_10",834,"cyclohexane,Custom_43,Custom_10",0,1,0.635,0.772,0,1,0.497,0.678,0,1,0.372,0.603,0,1,0.466,0.722,0,1,0.451,0.712,0,1,0.409,0.684,0,1,4,5,5907,[3300:11000],1,0.409,0.507,1,0.35294118,1,0,0,1,0,8,0,-1,240.385,0,547.751,451.681,96.07,0,0,943.6,1,2,0,0.0036513,0.8493897,26.472,7.858,10.83,3.361,4.19,-4.211,-3.219,-2.162,307.943,-0.806,176.151,-2.522,0,0,1,0.295,3,96.018,0,0,47.724,2,0,0,6,0,6,6,17,0.0444689526081528,0.02,[0:0.04],1,0.399,0.772,5.51,[0.01:27.37],1,0.263,0.382,-4.78,[-5.11:-4.45],1,0.256,0.512,-10.88,[-11.02:-10.74],1,0.364,0.71,2.01,[1.67:2.35],1,0.381,0.613,0.64,[0.52:0.76],0,0.286,0.673,1,1,0.476331401463768,0.738165700731884,-0.1,[-0.32:0.12],1,0.363,0.608,2.87,[2.31:3.43],1,0.426,0.577,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,8,2,1,1,37.3,58.5496,0.58,1.609198985,0.912841894,3.77136697085778,1.951544529,0.929619454
O=C(O)CCC[C@H](CCCC1)[C@@H]1[C@@H](C)CCC,"cyclohexane,Custom_43,Custom_11",835,"cyclohexane,Custom_43,Custom_11",0,1,0.622,0.758,0,1,0.537,0.698,0,1,0.362,0.612,0,1,0.458,0.709,0,1,0.43,0.654,0,1,0.401,0.686,0,1,4,5,6702,[3800:12000],1,0.435,0.47,1,0.35294118,1,0,0,1,0,7,0,-1,240.385,0,533.736,425.58,108.156,0,0,922.128,1,2,0,0.0037472,0.8584196,26.255,7.768,11.068,3.63,3.971,-4.118,-3.219,-2.015,236.515,-0.837,132.435,-2.841,0,0,1,0.279,3,92.681,0,0,50.947,2,0,0,6,0,6,6,17,0.026454823272396,0.02,[0:0.04],1,0.367,0.763,5.85,[0.01:27.56],1,0.259,0.385,-4.78,[-5.11:-4.45],1,0.255,0.512,-10.78,[-10.95:-10.61],1,0.334,0.673,1.88,[1.53:2.23],1,0.403,0.623,0.57,[0.49:0.65],0,0.288,0.698,1,1,0.473710324984464,0.582346665304758,0.11,[-0.2:0.42],1,0.341,0.569,2.39,[2.18:2.6],1,0.45,0.681,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,7,2,1,1,37.3,61.2617,0.541,1.609198985,0.912841894,3.82620442349925,1.951544529,0.929619454
O=C(O)CCC[C@H](CCCC1)[C@@H]1C[C@@H](C)CC,"cyclohexane,Custom_43,Custom_12",836,"cyclohexane,Custom_43,Custom_12",0,1,0.625,0.759,0,1,0.537,0.698,0,1,0.362,0.634,0,1,0.462,0.721,0,1,0.436,0.694,0,1,0.407,0.687,0,1,4,5,6702,[3800:12000],1,0.377,0.462,1,0.35294118,1,0,0,1,0,7,0,-1,240.385,0,532.595,424.439,108.156,0,0,927.099,1,2,0,0.0037552,0.8633472,26.454,7.838,11.195,3.627,4.003,-4.097,-3.219,-1.936,236.515,-0.826,132.435,-2.841,0,0,1,0.294,3,92.873,0,0,50.947,2,0,0,6,0,6,6,17,0.0277539822232929,0.02,[0:0.04],1,0.378,0.766,5.8,[0.01:27.58],1,0.261,0.384,-4.78,[-5.11:-4.45],1,0.259,0.514,-10.78,[-10.95:-10.61],1,0.334,0.673,1.9,[1.55:2.25],1,0.397,0.618,0.57,[0.49:0.65],0,0.287,0.698,1,1,0.486948575366181,0.743474287683091,0.1,[-0.21:0.41],1,0.355,0.574,2.39,[2.18:2.6],1,0.447,0.68,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,7,2,1,1,37.3,61.6753,0.541,1.609198985,0.912841894,3.82620442349925,1.951544529,0.929619454
O=C(O)CCC[C@H](CCCC1)[C@@H]1CCC(C)C,"cyclohexane,Custom_43,Custom_13",837,"cyclohexane,Custom_43,Custom_13",0,1,0.317,0.628,0,1,0.537,0.698,0,1,0.364,0.612,0,1,0.463,0.716,0,1,0.439,0.705,0,1,0.416,0.692,0,1,4,5,6702,[3800:12000],1,0.377,0.462,1,0.35294118,1,0,0,1,0,7,0,-1,240.385,0,542.484,434.328,108.156,0,0,937.945,1,2,0,0.0036867,0.8542064,26.888,7.906,11.269,3.651,4.071,-4.277,-3.219,-2.084,236.515,-0.847,132.435,-2.841,0,0,1,0.323,3,93.27,0,0,50.947,2,0,0,6,0,6,6,17,0.0183131365529848,0.02,[0.01:0.03],1,0.341,0.749,5.75,[0.01:27.57],1,0.263,0.384,-4.78,[-5.11:-4.45],1,0.257,0.513,-10.78,[-10.95:-10.61],1,0.334,0.673,1.81,[1.54:2.08],1,0.453,0.668,0.64,[0.52:0.76],0,0.285,0.673,1,1,0.49117777170933,0.745588885854665,-0.1,[-0.33:0.13],1,0.371,0.611,2.39,[2.18:2.6],1,0.444,0.679,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,7,2,1,1,37.3,62.6357,0.541,1.609198985,0.912841894,3.82620442349925,1.951544529,0.929619454
O=C(O)CCC[C@@H]([C@@H]1[C@@H](C)C(C)C)CCCC1,"cyclohexane,Custom_43,Custom_14",838,"cyclohexane,Custom_43,Custom_14",0,1,0.351,0.589,0,1,0.536,0.684,0,1,0.332,0.608,0,1,0.533,0.739,0,1,0.431,0.696,0,1,0.41,0.68,0,1,4,5,5390,[3000:9600],1,0.53,0.602,1,0.35294118,1,0,0,1,0,6,0,-1,240.385,0,510.928,402.772,108.156,0,0,890.707,1,2,0,0.0039144,0.8762515,25.639,7.547,11.036,3.795,3.773,-3.865,-3.219,-1.727,236.515,-0.737,132.435,-2.937,0,0,1,0.238,3,91.525,0,0,50.947,2,0,0,6,0,6,6,17,0.0379477916419371,0.02,[0.01:0.03],1,0.352,0.752,6.07,[0.01:27.73],1,0.256,0.386,-4.79,[-5.12:-4.46],1,0.256,0.521,-10.82,[-10.97:-10.65],1,0.321,0.675,1.81,[1.54:2.08],1,0.427,0.659,0.57,[0.49:0.65],0,0.291,0.699,1,1,0.475014073629608,0.58299853962733,0.26,[-0.23:0.75],1,0.318,0.516,2.65,[2.17:3.19],1,0.458,0.554,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,6,2,1,1,37.3,62.2674,0.502,1.609198985,0.912841894,3.73158876518674,1.951544529,0.929619454
O=C(O)CCC[C@@H]([C@@H]1CC(C)(C)C)CCCC1,"cyclohexane,Custom_43,Custom_15",839,"cyclohexane,Custom_43,Custom_15",0,1,0.601,0.724,0,1,0.551,0.679,1,1,0.4,0.519,0,1,0.498,0.721,0,1,0.409,0.684,0,1,0.375,0.594,0,1,4,5,5717,[3200:10000],1,0.534,0.6,1,0.35294118,0,0,0,1,0,3,0,-1,240.385,0,491.112,382.956,108.156,0,0,875.945,1,2,0,0.0040724,0.9015079,26.975,7.55,11.875,4.41,3.684,-3.994,-2.96,-1.318,236.515,-0.505,132.435,-3.225,0,0,1,0.329,3,91.002,0,0,50.947,2,0,0,11,0,6,10,17,0.0145373138885726,0.02,[0.01:0.03],1,0.317,0.738,6.2,[0.01:27.84],1,0.259,0.387,-4.79,[-5.12:-4.46],1,0.253,0.516,-10.82,[-10.97:-10.65],1,0.312,0.671,1.82,[1.55:2.09],1,0.511,0.688,0.57,[0.49:0.65],0,0.29,0.699,1,1,0.491620361882356,0.591301683753704,-0.1,[-0.32:0.12],1,0.345,0.602,2.39,[2.18:2.6],1,0.448,0.679,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,6,2,1,1,37.3,63.3457,0.501,1.609198985,0.912841894,3.75716819221427,1.951544529,0.929619454
O=C(O)CCC[C@@H]([C@@H]1C(C)(C)CC)CCCC1,"cyclohexane,Custom_43,Custom_16",840,"cyclohexane,Custom_43,Custom_16",1,1,0.6,0.651,0,1,0.591,0.699,1,1,0.412,0.525,0,1,0.565,0.71,0,1,0.426,0.689,0,1,0.399,0.679,0,1,4,5,5721,[3200:10000],1,0.462,0.58,1,0.35294118,1,0,0,1,0,6,0,-1,240.385,0,496.341,388.186,108.156,0,0,885.398,1,2,0,0.0040295,0.8984149,25.427,7.621,11.158,3.76,3.743,-3.6,-3.219,-1.368,236.515,-0.691,132.435,-2.937,0,0,1,0.227,3,91.352,0,0,50.947,2,0,0,6,0,6,6,17,0.0698388620870959,0.02,[0.01:0.03],1,0.333,0.74,19.48,[10.12:38.96],1,0.251,0.509,-4.79,[-5.12:-4.46],1,0.249,0.517,-10.82,[-10.97:-10.65],1,0.311,0.671,1.82,[1.55:2.09],1,0.486,0.68,0.57,[0.49:0.65],0,0.293,0.7,1,1,0.447713749676537,0.569348377650795,0.26,[-0.23:0.75],1,0.298,0.509,2.66,[2.17:3.21],1,0.456,0.551,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,6,2,1,1,37.3,64.2096,0.501,1.609198985,0.912841894,3.75747194776567,1.951544529,0.929619454
O=C(O)CCC[C@H]1[C@@H](CCCC1)CCCCCC,"cyclohexane,Custom_43,Custom_17",841,"cyclohexane,Custom_43,Custom_17",0,1,0.63,0.781,0,1,0.835,0.817,0,1,0.361,0.61,0,1,0.506,0.739,0,1,0.457,0.714,0,1,0.418,0.691,0,1,4,5,6211,[3500:11000],1,0.381,0.502,1,0.33333333,1,0,0,1,0,9,0,-2,254.412,0,580.886,472.663,108.223,0,0,1000.876,1,2,0,0.003443,0.8330311,28.122,8.457,11.454,3.302,4.47,-4.655,-3.506,-2.426,236.168,-1.019,132.225,-2.65,0,0,1,0.41,3,95.596,0,0,50.88,2,0,0,6,0,6,6,18,0.012601592590975,0.02,[0:0.04],1,0.408,0.774,5.95,[0.01:27.57],1,0.255,0.383,-4.8,[-5.14:-4.46],1,0.241,0.503,-10.78,[-10.95:-10.61],1,0.339,0.675,1.99,[1.66:2.32],1,0.362,0.61,0.77,[0.6:0.96],0,0.283,0.608,1,1,0.465332567072238,0.732666283536119,0.12,[-0.2:0.44],1,0.357,0.571,3.62,[3.16:4.08],1,0.394,0.563,254.2245802,48,18,16,2,0,0,1,0,0.9375,9,2,1,1,37.3,61.4612,0.58,1.65465485,0.920814116,3.79316152924555,1.974165103,0.935447087
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O=C(O)CCC[C@H](CCCC1)[C@@H]1C[C@@H](C)CCC,"cyclohexane,Custom_43,Custom_19",843,"cyclohexane,Custom_43,Custom_19",0,1,0.358,0.641,0,1,0.575,0.7,0,1,0.401,0.643,0,1,0.499,0.735,0,1,0.442,0.696,0,1,0.413,0.689,0,1,4,5,5998,[3400:11000],1,0.44,0.53,1,0.33333333,1,0,0,1,0,8,0,-1,254.412,0,564.191,456.035,108.156,0,0,985.498,1,2,0,0.0035449,0.8488734,28.149,8.35,11.67,3.482,4.375,-4.512,-3.506,-2.17,236.515,-0.919,132.435,-2.745,0,0,1,0.412,3,95.05,0,0,50.947,2,0,0,6,0,6,6,18,0.0140941746788735,0.02,[0:0.04],1,0.365,0.759,6.16,[0.01:27.7],1,0.253,0.385,-4.81,[-5.14:-4.48],1,0.244,0.511,-10.82,[-10.97:-10.65],1,0.313,0.671,1.86,[1.53:2.19],1,0.407,0.63,0.6,[0.53:0.67],0,0.282,0.704,1,1,0.475584558030281,0.73779227901514,0.12,[-0.2:0.44],1,0.36,0.572,3.5,[2.84:4.14],1,0.386,0.516,254.2245802,48,18,16,2,0,0,1,0,0.9375,8,2,1,1,37.3,66.1271,0.541,1.65465485,0.920814116,3.77800646142351,1.974165103,0.935447087
O=C(O)CCC[C@H](CCCC1)[C@@H]1CC[C@H](C)CC,"cyclohexane,Custom_43,Custom_20",844,"cyclohexane,Custom_43,Custom_20",0,1,0.62,0.764,0,1,0.495,0.66,0,1,0.4,0.642,0,1,0.467,0.724,0,1,0.447,0.709,0,1,0.419,0.693,0,1,4,5,5998,[3400:11000],1,0.413,0.524,1,0.33333333,1,0,0,1,0,8,0,-1,254.412,0,568.039,459.816,108.223,0,0,988.593,1,2,0,0.0035209,0.8448873,28.273,8.369,11.675,3.492,4.394,-4.582,-3.506,-2.234,236.168,-0.929,132.225,-2.746,0,0,1,0.42,3,95.147,0,0,50.88,2,0,0,6,0,6,6,18,0.0119475660513838,0.02,[0:0.04],1,0.361,0.758,6.16,[0.01:27.74],1,0.253,0.384,-4.8,[-5.13:-4.47],1,0.242,0.512,-10.82,[-10.97:-10.65],1,0.313,0.671,1.81,[1.55:2.07],1,0.42,0.665,0.64,[0.52:0.76],0,0.28,0.671,1,1,0.480867846329329,0.740433923164665,0.12,[-0.2:0.44],1,0.365,0.572,3.5,[2.84:4.14],1,0.385,0.515,254.2245802,48,18,16,2,0,0,1,0,0.9375,8,2,1,1,37.3,65.7135,0.541,1.65465485,0.920814116,3.77800646142351,1.974165103,0.935447087
O=C(O)CCC[C@H]1[C@@H](CCCC1)CCCC(C)C,"cyclohexane,Custom_43,Custom_21",845,"cyclohexane,Custom_43,Custom_21",0,1,0.363,0.654,0,1,0.535,0.68,0,1,0.355,0.63,0,1,0.507,0.738,0,1,0.454,0.713,0,1,0.408,0.683,0,1,4,5,5998,[3400:11000],1,0.446,0.533,1,0.33333333,1,0,0,1,0,8,0,-1,254.412,0,574.041,465.885,108.156,0,0,996.319,1,2,0,0.0034841,0.8404031,28.582,8.431,11.744,3.506,4.443,-4.692,-3.506,-2.307,236.515,-0.94,132.435,-2.745,0,0,1,0.441,3,95.447,0,0,50.947,2,0,0,6,0,6,6,18,0.00929946115074673,0.02,[0:0.04],1,0.346,0.756,6.13,[0.01:27.71],1,0.254,0.385,-4.81,[-5.14:-4.48],1,0.24,0.51,-10.82,[-10.97:-10.65],1,0.313,0.671,1.82,[1.55:2.09],1,0.45,0.668,0.64,[0.52:0.76],0,0.282,0.672,1,1,0.482660239587014,0.741330119793507,0.12,[-0.2:0.44],1,0.364,0.573,3.3,[2.72:3.88],1,0.383,0.531,254.2245802,48,18,16,2,0,0,1,0,0.9375,8,2,1,1,37.3,65.5473,0.541,1.65465485,0.920814116,3.77800646142351,1.974165103,0.935447087
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O=C(O)C(C)(C)[C@H]1[C@H](CCC)CCCC1,"cyclohexane,Custom_46,Custom_4",903,"cyclohexane,Custom_46,Custom_4",1,1,0.659,0.735,0,1,0.513,0.661,1,1,0.384,0.634,0,1,0.784,0.863,0,1,0.803,0.897,0,1,0.399,0.689,0,1,4,5,8811,[5000:16000],1,0.485,0.62,1,0.4,2,0,0,1,0,4,0,-1,212.331,0,434.426,383.607,50.819,0,0,775.472,1,2,0,0.0046038,0.9396368,22.312,6.472,9.401,3.662,3.455,-2.966,-2.65,-0.701,827.144,-0.061,512.51,-2.072,0,0,0,0.018,3,100,0,0,35.188,2,0,0,6,0,6,6,15,2.78734316615166,0.02,[0.01:0.03],1,0.365,0.757,1.38,[0.01:23.5],1,0.282,0.36,-4.55,[-4.74:-4.36],1,0.273,0.613,-10.77,[-10.95:-10.59],1,0.342,0.672,0.65,[0.3:1],1,0.34,0.624,0.64,[0.52:0.76],0,0.387,0.707,1,1,0.468876701249503,0.540725407263355,-0.18,[-0.37:0.01],1,0.37,0.633,2.33,[1.97:2.69],1,0.472,0.619,212.177630008,39,15,13,2,0,0,1,0,0.923076923076923,4,2,1,0,37.3,55.2086,0.501,1.574918909,0.917826007,3.94502520124246,1.926491984,0.924638525
O=C(O)C(C)(C)[C@H]1[C@H](C(C)C)CCCC1,"cyclohexane,Custom_46,Custom_5",904,"cyclohexane,Custom_46,Custom_5",0,1,0.608,0.741,0,1,0.554,0.682,0,1,0.412,0.653,0,1,0.435,0.703,0,1,0.711,0.846,0,1,0.775,0.868,0,1,4,5,8863,[5000:16000],1,0.447,0.745,1,0.4,2,0,0,1,0,3,0,-1,212.331,0,419.875,365.501,54.374,0,0,748.253,1,2,0,0.0047633,0.9493162,21.865,6.321,9.384,3.872,3.253,-2.713,-2.65,-0.545,765.378,-0.02,471.272,-2.234,0,0,0,-0.012,3,100,0,0,35.28,2,0,0,6,0,6,6,15,2.40252868479147,0.05,[0:0.12],1,0.36,0.672,1.5,[0.01:23.66],1,0.273,0.358,-4.55,[-4.74:-4.36],1,0.278,0.615,-10.77,[-10.95:-10.59],1,0.335,0.669,0.65,[0.31:0.99],1,0.35,0.63,0.6,[0.53:0.67],0,0.413,0.748,1,1,0.462481845329786,0.512995086113039,-0.28,[-0.61:0.04],1,0.304,0.573,2.26,[1.96:2.48],1,0.444,0.633,212.177630008,39,15,13,2,0,0,1,0,0.923076923076923,3,2,1,0,37.3,56.2143,0.462,1.574918909,0.917826007,3.94758074930432,1.926491984,0.924638525
C1CCC[C@@H](CCCC)[C@@H]1C(C)(C)C(=O)O,"cyclohexane,Custom_46,Custom_6",905,"cyclohexane,Custom_46,Custom_6",1,1,0.567,0.702,0,1,0.54,0.699,1,1,0.331,0.551,0,1,0.827,0.863,0,1,0.408,0.687,0,1,0.383,0.642,0,1,4,5,5014,[2800:8900],1,0.466,0.568,1,0.375,2,0,0,1,0,5,0,-1,226.358,0,468.025,417.205,50.819,0,0,837.597,1,2,0,0.0042733,0.9181631,24.156,6.894,9.925,3.523,3.839,-3.251,-2.934,-1.049,827.144,-0.14,512.51,-1.976,0,0,0,0.142,3,100,0,0,35.188,2,0,0,6,0,6,6,16,1.34314378038494,0.02,[0.01:0.03],1,0.355,0.757,1.54,[0.01:23.38],1,0.271,0.36,-4.62,[-4.9:-4.34],1,0.263,0.56,-10.82,[-10.97:-10.64],1,0.326,0.672,1.9,[1.54:2.26],1,0.408,0.615,0.84,[0.6:1.16],0,0.374,0.602,1,1,0.463716778524335,0.538145445900771,0.26,[-0.23:1.02],1,0.372,0.436,2.64,[2.17:3.18],1,0.486,0.565,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,5,2,1,1,37.3,58.1202,0.501,1.574918909,0.917826007,3.7001843296222,1.926491984,0.924638525
O=C(O)C(C)(C)[C@H]1[C@H]([C@@H](C)CC)CCCC1,"cyclohexane,Custom_46,Custom_7",906,"cyclohexane,Custom_46,Custom_7",0,1,0.56,0.732,0,1,0.595,0.703,1,1,0.369,0.581,0,1,0.477,0.695,0,1,0.804,0.891,0,1,0.43,0.692,0,1,4,5,8818,[5000:16000],1,0.486,0.626,1,0.375,3,0,0,1,0,4,0,-1,226.358,0,430.55,380.142,50.408,0,0,793.072,1,2,0,0.0046452,0.9623873,23.016,6.827,9.84,3.65,3.568,-2.753,-2.934,-0.333,834.606,-0.04,517.51,-2.064,0,0,0,0.071,3,100,0,0,35.28,2,0,0,6,0,6,6,16,3.5469856371417,0.02,[0.01:0.03],1,0.353,0.748,5.37,[0.01:26.1],1,0.261,0.398,-4.62,[-4.9:-4.34],1,0.265,0.561,-10.82,[-10.97:-10.64],1,0.319,0.669,1.81,[1.54:2.08],1,0.41,0.651,0.6,[0.53:0.67],0,0.383,0.738,1,1,0.444387758094852,0.503948042495572,0.46,[-0.23:1.22],1,0.334,0.425,2.66,[2.17:3.21],1,0.442,0.596,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,4,2,1,1,37.3,59.2921,0.462,1.574918909,0.917826007,3.9453700944903,1.926491984,0.924638525
O=C(O)C(C)(C)[C@H]1[C@H](CC(C)C)CCCC1,"cyclohexane,Custom_46,Custom_8",907,"cyclohexane,Custom_46,Custom_8",1,1,0.326,0.56,0,1,0.515,0.663,1,1,0.381,0.579,0,1,0.446,0.699,0,1,0.809,0.899,0,1,0.404,0.685,0,1,4,5,8818,[5000:16000],1,0.475,0.626,1,0.375,2,0,0,1,0,4,0,0,226.358,0,452.802,410.262,42.54,0,0,822.878,1,2,0,0.0044169,0.9378784,24.209,6.845,9.997,3.65,3.807,-3.139,-2.934,-0.73,991.046,0,623.111,-1.919,0,0,0,0.148,3,100,0,0,31.998,2,0,0,6,0,6,6,16,1.97698548581968,0.02,[0.01:0.03],1,0.347,0.747,1.6,[0.01:23.46],1,0.266,0.358,-4.62,[-4.9:-4.34],1,0.273,0.563,-10.82,[-10.97:-10.64],1,0.319,0.669,1.81,[1.54:2.08],1,0.44,0.661,0.77,[0.48:1.12],0,0.364,0.588,1,1,0.457740251491421,0.510624289193856,0.22,[-0.23:0.94],1,0.358,0.447,2.65,[2.17:3.19],1,0.446,0.599,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,4,2,1,1,37.3,61.0797,0.462,1.574918909,0.917826007,3.9453700944903,1.926491984,0.924638525
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C1CCC[C@H]([C@@H]1C(C)(C)C(=O)O)CCCCC,"cyclohexane,Custom_46,Custom_10",909,"cyclohexane,Custom_46,Custom_10",0,1,0.604,0.729,0,1,0.511,0.659,1,1,0.372,0.527,0,1,0.484,0.705,0,1,0.416,0.682,0,1,0.396,0.65,0,1,4,5,5714,[3200:10000],1,0.47,0.576,1,0.35294118,2,0,0,1,0,6,0,-1,240.385,0,497.62,446.801,50.819,0,0,892.273,1,2,0,0.0040191,0.9007393,25.702,7.296,10.352,3.373,4.185,-3.623,-3.219,-1.331,827.144,-0.216,512.51,-1.88,0,0,0,0.247,3,100,0,0,35.188,2,0,0,6,0,6,6,17,0.754423999671242,0.02,[0.01:0.03],1,0.356,0.754,1.68,[0.01:23.2],1,0.261,0.36,-4.63,[-4.91:-4.35],1,0.25,0.555,-10.74,[-10.92:-10.54],1,0.313,0.663,1.85,[1.51:2.19],1,0.428,0.635,0.84,[0.6:1.16],0,0.363,0.597,1,1,0.453537912675109,0.533056012976158,0.73,[0.09:1.37],1,0.376,0.46,2.66,[2.17:3.21],1,0.457,0.549,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,6,2,1,1,37.3,61.0318,0.501,1.609198985,0.912841894,3.75694023604672,1.951544529,0.929619454
C1CCC[C@@H]([C@@H](C)CCC)[C@@H]1C(C)(C)C(=O)O,"cyclohexane,Custom_46,Custom_11",910,"cyclohexane,Custom_46,Custom_11",1,1,0.556,0.697,0,1,0.551,0.678,1,1,0.404,0.523,0,1,0.484,0.675,0,1,0.399,0.668,0,1,0.498,0.719,0,1,3,5,2691,[1500:4800],1,0.682,0.619,1,0.35294118,2,0,0,1,0,5,0,-1,240.385,0,460.252,409.844,50.408,0,0,849.488,1,2,0,0.0043454,0.9424851,24.632,7.182,10.303,3.501,3.923,-3.111,-3.219,-0.655,834.606,-0.116,517.51,-1.968,0,0,0,0.179,3,100,0,0,35.28,2,0,0,6,0,6,6,17,2.0040045721308,0.02,[0.01:0.04],1,0.353,0.739,5.63,[0.01:26],1,0.254,0.4,-4.69,[-4.93:-4.45],1,0.256,0.576,-10.74,[-10.92:-10.54],1,0.305,0.659,1.81,[1.54:2.08],1,0.476,0.674,0.77,[0.48:1.12],0,0.371,0.591,1,1,0.430039636106137,0.521306874691672,0.69,[-0.01:1.39],1,0.351,0.44,2.97,[2.35:3.59],1,0.447,0.525,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,5,2,1,1,37.3,63.7439,0.462,1.609198985,0.912841894,3.42991369776375,1.951544529,0.929619454
C1CCC[C@@H](C[C@@H](C)CC)[C@@H]1C(C)(C)C(=O)O,"cyclohexane,Custom_46,Custom_12",911,"cyclohexane,Custom_46,Custom_12",1,1,0.564,0.701,0,1,0.511,0.658,1,1,0.413,0.524,0,1,0.45,0.692,0,1,0.408,0.633,0,1,0.385,0.647,0,1,3,5,2692,[1500:4800],1,0.682,0.619,1,0.35294118,2,0,0,1,0,5,0,-1,240.385,0,467.104,424.564,42.54,0,0,860.257,1,2,0,0.0042817,0.9364901,25.063,7.18,10.297,3.464,4.045,-3.234,-3.219,-0.752,991.046,-0.061,623.111,-1.823,0,0,0,0.208,3,100,0,0,31.998,2,0,0,6,0,6,6,17,2.10580922848128,0.02,[0.01:0.03],1,0.351,0.745,5.55,[0.01:25.98],1,0.256,0.399,-4.63,[-4.91:-4.35],1,0.256,0.557,-10.74,[-10.92:-10.54],1,0.305,0.659,1.81,[1.54:2.08],1,0.462,0.669,0.78,[0.48:1.14],0,0.354,0.583,1,1,0.446042506996568,0.529308310136887,0.68,[-0.02:1.38],1,0.359,0.444,2.96,[2.34:3.58],1,0.448,0.525,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,5,2,1,1,37.3,64.1575,0.462,1.609198985,0.912841894,3.43007505555194,1.951544529,0.929619454
C1CCC[C@@H](CCC(C)C)[C@@H]1C(C)(C)C(=O)O,"cyclohexane,Custom_46,Custom_13",912,"cyclohexane,Custom_46,Custom_13",1,1,0.268,0.527,0,1,0.471,0.638,1,1,0.4,0.521,0,1,0.444,0.689,0,1,0.42,0.666,0,1,0.395,0.652,0,1,3,5,2693,[1500:4800],1,0.682,0.619,1,0.35294118,2,0,0,1,0,5,0,-1,240.385,0,481.89,431.422,50.468,0,0,876.436,1,2,0,0.0041503,0.9191033,25.71,7.263,10.537,3.554,4.09,-3.501,-3.219,-1.033,833.514,-0.136,516.778,-1.97,0,0,0,0.249,3,100,0,0,35.188,2,0,0,6,0,6,6,17,0.813314396903837,0.02,[0.01:0.03],1,0.339,0.741,5.5,[0.01:25.97],1,0.257,0.399,-4.63,[-4.91:-4.35],1,0.258,0.557,-10.74,[-10.92:-10.54],1,0.305,0.659,1.81,[1.54:2.08],1,0.526,0.691,0.8,[0.6:1.14],0,0.364,0.596,1,1,0.452972159553725,0.532773136415466,0.81,[0.15:1.47],1,0.375,0.454,2.95,[2.33:3.57],1,0.447,0.526,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,5,2,1,1,37.3,65.1179,0.462,1.609198985,0.912841894,3.43023635341151,1.951544529,0.929619454
O=C(O)C(C)(C)[C@H]1[C@H]([C@@H](C)C(C)C)CCCC1,"cyclohexane,Custom_46,Custom_14",913,"cyclohexane,Custom_46,Custom_14",0,1,0.551,0.727,0,1,0.59,0.698,1,1,0.372,0.569,0,1,0.52,0.686,0,1,0.475,0.722,0,1,0.396,0.656,0,1,4,5,9001,[5100:16000],1,0.5,0.6,1,0.35294118,3,0,0,0,0,2,4,1,240.385,0,464.149,446.096,18.052,0,0,835.682,0,0.75,0,0,0.9244187,26.006,6.463,8.529,1.257,4.257,-4.295,-3.662,-2.755,6679.004,0.302,3852.705,-1.66,0,0,0,0.758,3,100,0,0,24.113,2,0,0,12,4,8,10,17,0.266815777497332,0.02,[0.01:0.04],1,0.356,0.739,5.77,[0.01:26.1],1,0.248,0.399,-4.69,[-4.93:-4.45],1,0.26,0.578,-10.74,[-10.92:-10.54],1,0.303,0.659,1.81,[1.54:2.08],1,0.503,0.683,0.77,[0.48:1.13],0,0.365,0.588,1,1,0.424701775716171,0.494105051306231,0.63,[-0.04:1.32],1,0.328,0.436,3.24,[2.52:3.96],1,0.427,0.499,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,4,2,1,1,37.3,64.7496,0.423,1.609198985,0.912841894,3.95429076170113,1.951544529,0.929619454
O=C(O)C(C)(C)[C@H]1[C@H](CC(C)(C)C)CCCC1,"cyclohexane,Custom_46,Custom_15",914,"cyclohexane,Custom_46,Custom_15",1,1,0.302,0.508,1,1,0.767,0.727,1,1,0.457,0.671,0,1,0.438,0.693,0,1,0.434,0.708,0,1,0.361,0.638,0,1,4,5,8964,[5000:16000],1,0.484,0.717,1,0.35294118,2,0,0,0,0,0,7,1,240.385,0,548.179,530.418,17.761,0,0,886.919,1,0.75,0,0.0013682,0.8143884,29.34,6.614,9.962,3.363,4.354,-5.948,-3.393,-4.535,6721.54,0.385,3879.233,-1.847,0,0,1,0.867,3,100,0,0,17.397,2,0,1,19,9,10,14,17,0.00385837832813289,0.02,[0.01:0.03],1,0.333,0.735,5.73,[0.01:26.1],1,0.246,0.398,-4.68,[-4.93:-4.43],1,0.272,0.58,-10.81,[-10.96:-10.63],1,0.296,0.65,1.82,[1.55:2.09],1,0.524,0.691,0.8,[0.6:1.14],0,0.349,0.588,1,1,0.438503319446182,0.501005823171237,0.29,[-0.23:0.98],1,0.354,0.447,2.99,[2.36:3.62],1,0.425,0.516,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,4,2,1,1,37.3,65.8279,0.422,1.609198985,0.912841894,3.95250184786302,1.951544529,0.929619454
O=C(O)C(C)(C)[C@H]1[C@H](C(C)(C)CC)CCCC1,"cyclohexane,Custom_46,Custom_16",915,"cyclohexane,Custom_46,Custom_16",0,1,0.665,0.683,1,1,0.727,0.707,1,1,0.412,0.646,0,1,0.509,0.686,0,1,0.428,0.679,0,1,0.476,0.706,0,1,4,5,8964,[5000:16000],1,0.596,0.735,1,0.35294118,2,0,0,1,0,4,0,-1,240.385,0,478.199,433.123,45.076,0,0,850.16,1,2,0,0.0041824,0.9075903,25.301,6.9,10.217,3.729,3.957,-3.597,-3.219,-1.22,937.663,-0.042,586.913,-1.966,0,0,0,0.217,3,100,0,0,29.211,2,0,0,6,0,6,6,17,0.656988808713871,0.03,[0.01:0.05],1,0.35,0.734,18.3,[10.12:36.61],1,0.241,0.522,-4.69,[-4.93:-4.45],1,0.26,0.579,-10.81,[-10.96:-10.63],1,0.296,0.65,1.82,[1.55:2.09],1,0.531,0.693,0.79,[0.6:1.13],0,0.379,0.603,0,1,0.409093475506306,0.486300901201299,0.63,[-0.04:1.32],1,0.308,0.43,3.32,[2.68:3.96],1,0.422,0.511,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,4,2,1,1,37.3,66.6918,0.422,1.609198985,0.912841894,3.95250184786302,1.951544529,0.929619454
C1CCC[C@H]([C@@H]1C(C)(C)C(=O)O)CCCCCC,"cyclohexane,Custom_46,Custom_17",916,"cyclohexane,Custom_46,Custom_17",1,1,0.301,0.547,0,1,0.546,0.675,1,1,0.405,0.52,0,1,0.526,0.704,0,1,0.419,0.654,0,1,0.402,0.655,0,1,3,5,3311,[1900:5900],1,0.44,0.599,1,0.33333333,2,0,0,1,0,7,0,-1,254.412,0,531.218,480.399,50.819,0,0,954.399,1,2,0,0.0037649,0.8824946,27.546,7.783,10.875,3.234,4.579,-4.072,-3.506,-1.626,827.144,-0.293,512.51,-1.784,0,0,0,0.374,3,100,0,0,35.188,2,0,0,6,0,6,6,18,0.354632095360857,0.02,[0:0.04],1,0.364,0.762,6.04,[0.01:27.62],1,0.252,0.385,-4.74,[-4.99:-4.49],1,0.236,0.566,-10.74,[-10.92:-10.54],1,0.301,0.658,1.81,[1.54:2.08],1,0.427,0.658,0.84,[0.6:1.16],0,0.358,0.595,1,1,0.446135180330545,0.529354646803876,0.76,[0.1:1.42],1,0.387,0.459,3.13,[2.33:3.93],1,0.398,0.511,254.2245802,48,18,16,2,0,0,1,0,0.9375,7,2,1,1,37.3,63.9434,0.501,1.65465485,0.920814116,3.51995918075207,1.974165103,0.935447087
C1CCC[C@H]([C@@H]1C(C)(C)C(=O)O)[C@@H](C)CCCC,"cyclohexane,Custom_46,Custom_18",917,"cyclohexane,Custom_46,Custom_18",0,1,0.589,0.721,0,1,0.506,0.655,1,1,0.388,0.516,0,1,0.482,0.691,0,1,0.411,0.626,0,1,0.379,0.646,0,1,4,5,5635,[3200:10000],1,0.444,0.571,1,0.33333333,2,0,0,1,0,6,0,-1,254.412,0,493.229,442.821,50.408,0,0,909.456,1,2,0,0.0040549,0.920388,26.39,7.576,10.79,3.36,4.301,-3.544,-3.506,-1.013,834.606,-0.195,517.51,-1.872,0,0,0,0.298,3,100,0,0,35.28,2,0,0,6,0,6,6,18,0.976026756687517,0.02,[0.01:0.03],1,0.357,0.748,18.02,[10.12:36.19],1,0.245,0.524,-4.73,[-4.98:-4.48],1,0.244,0.568,-10.81,[-10.96:-10.63],1,0.293,0.649,1.81,[1.54:2.08],1,0.494,0.682,0.77,[0.48:1.13],0,0.363,0.587,1,1,0.425027340877375,0.518800727077291,0.73,[0.07:1.39],1,0.362,0.45,3.33,[2.54:4.12],1,0.412,0.473,254.2245802,48,18,16,2,0,0,1,0,0.9375,6,2,1,1,37.3,66.6555,0.462,1.65465485,0.920814116,3.75089392038213,1.974165103,0.935447087
C1CCC[C@H]([C@@H]1C(C)(C)C(=O)O)C[C@@H](C)CCC,"cyclohexane,Custom_46,Custom_19",918,"cyclohexane,Custom_46,Custom_19",1,1,0.604,0.703,0,1,0.466,0.635,1,1,0.366,0.513,0,1,0.448,0.697,0,1,0.415,0.637,0,1,0.4,0.669,0,1,4,5,5637,[3200:10000],1,0.443,0.571,1,0.33333333,2,0,0,1,0,6,0,-1,254.412,0,507.835,466.539,41.296,0,0,931.483,1,2,0,0.0039383,0.908292,27.271,7.64,10.882,3.333,4.503,-3.809,-3.506,-1.208,1018.328,-0.132,641.672,-1.705,0,0,0,0.357,3,100,0,0,31.998,2,0,0,6,0,6,6,18,0.780289519526344,0.02,[0.01:0.03],1,0.35,0.745,5.26,[0.01:25.23],1,0.247,0.406,-4.73,[-4.98:-4.48],1,0.245,0.568,-10.81,[-10.96:-10.63],1,0.293,0.649,1.81,[1.54:2.08],1,0.53,0.694,0.78,[0.48:1.14],0,0.345,0.579,1,1,0.436635736920843,0.524604925099025,0.71,[0.05:1.37],1,0.371,0.454,3.33,[2.53:4.13],1,0.412,0.472,254.2245802,48,18,16,2,0,0,1,0,0.9375,6,2,1,1,37.3,68.6093,0.462,1.65465485,0.920814116,3.75104803482019,1.974165103,0.935447087
C1CCC[C@H]([C@@H]1C(C)(C)C(=O)O)CC[C@H](C)CC,"cyclohexane,Custom_46,Custom_20",919,"cyclohexane,Custom_46,Custom_20",0,1,0.597,0.724,0,1,0.546,0.675,0,1,0.352,0.511,0,1,0.785,0.821,0,1,0.426,0.63,0,1,0.397,0.649,0,1,4,5,5639,[3200:10000],1,0.434,0.561,1,0.33333333,2,0,0,1,0,6,0,-1,254.412,0,507.51,458.174,49.336,0,0,929.953,1,2,0,0.0039408,0.9078794,27.21,7.68,10.985,3.387,4.437,-3.803,-3.506,-1.215,854.379,-0.197,530.775,-1.853,0,0,0,0.353,3,100,0,0,35.188,2,0,0,6,0,6,6,18,0.562355291237251,0.02,[0.01:0.03],1,0.344,0.743,5.25,[0.01:25.25],1,0.247,0.406,-4.7,[-4.94:-4.46],1,0.239,0.571,-10.81,[-10.96:-10.63],1,0.293,0.649,1.81,[1.54:2.08],1,0.55,0.701,0.8,[0.6:1.14],0,0.355,0.592,1,1,0.445369576901754,0.52897184508948,0.77,[0.11:1.43],1,0.378,0.454,3.32,[2.52:4.12],1,0.408,0.471,254.2245802,48,18,16,2,0,0,1,0,0.9375,6,2,1,1,37.3,68.1957,0.462,1.65465485,0.920814116,3.75120209458835,1.974165103,0.935447087
C1CCC[C@H]([C@@H]1C(C)(C)C(=O)O)CCCC(C)C,"cyclohexane,Custom_46,Custom_21",920,"cyclohexane,Custom_46,Custom_21",1,1,0.308,0.554,0,1,0.466,0.635,1,1,0.407,0.515,0,1,0.487,0.678,0,1,0.425,0.667,0,1,0.408,0.658,0,1,3,5,3188,[1800:5700],1,0.439,0.573,1,0.33333333,2,0,0,1,0,6,0,-1,254.412,0,517.59,467.903,49.687,0,0,940.24,1,2,0,0.0038641,0.8967506,27.622,7.715,11.05,3.414,4.499,-3.986,-3.506,-1.395,847.85,-0.21,526.392,-1.859,0,0,0,0.379,3,100,0,0,35.188,2,0,0,6,0,6,6,18,0.363233673891008,0.02,[0.01:0.03],1,0.334,0.74,6.15,[0.01:27.73],1,0.249,0.385,-4.7,[-4.94:-4.46],1,0.243,0.572,-10.81,[-10.96:-10.63],1,0.293,0.649,1.82,[1.56:2.08],1,0.586,0.714,0.85,[0.6:1.18],0,0.355,0.593,1,1,0.449293920834252,0.53093401705573,0.77,[0.11:1.43],1,0.387,0.458,3.31,[2.51:4.11],1,0.405,0.469,254.2245802,48,18,16,2,0,0,1,0,0.9375,6,2,1,1,37.3,68.0295,0.462,1.65465485,0.920814116,3.50351831272407,1.974165103,0.935447087
C1CCC[C@@H]([C@@H](C)[C@@H](C)CC)[C@@H]1C(C)(C)C(=O)O,"cyclohexane,Custom_46,Custom_22",921,"cyclohexane,Custom_46,Custom_22",0,1,0.543,0.726,0,1,0.586,0.695,1,1,0.41,0.521,1,1,0.485,0.639,0,1,0.409,0.592,1,1,0.416,0.663,0,1,4,5,5244,[2900:9300],1,0.446,0.572,1,0.33333333,3,0,0,0,0,3,4,1,254.412,0,499.046,480.994,18.052,0,0,898.09,0,0.75,0,0,0.902064,27.861,6.901,9.038,1.12,4.664,-4.793,-3.959,-3.117,6679.004,0.235,3852.705,-1.564,0,0,0,0.897,3,100,0,0,24.113,2,0,0,12,4,8,10,18,0.111773914181506,0.02,[0.01:0.03],1,0.364,0.75,18.12,[10.12:36.24],1,0.241,0.523,-4.73,[-4.98:-4.48],1,0.245,0.568,-10.81,[-10.96:-10.63],1,0.289,0.648,1.81,[1.54:2.08],1,0.509,0.687,0.78,[0.48:1.14],0,0.356,0.583,1,1,0.412597177953852,0.488052752425072,0.7,[0.04:1.36],1,0.327,0.446,3.34,[2.71:3.97],1,0.414,0.516,254.2245802,48,18,16,2,0,0,1,0,0.9375,5,2,1,1,37.3,67.8274,0.423,1.65465485,0.920814116,3.71966268301805,1.974165103,0.935447087
C1CCC[C@@H](C[C@@H](C)C(C)C)[C@@H]1C(C)(C)C(=O)O,"cyclohexane,Custom_46,Custom_23",922,"cyclohexane,Custom_46,Custom_23",0,1,0.594,0.726,0,1,0.546,0.675,0,1,0.363,0.516,0,1,0.484,0.69,0,1,0.424,0.618,0,1,0.392,0.649,0,1,4,5,5245,[2900:9300],1,0.449,0.575,1,0.33333333,2,0,0,1,0,5,0,-1,254.412,0,549.571,498.543,51.029,0,0,969.178,1,2,0,0.0036392,0.8618073,29.422,7.836,11.459,3.721,4.668,-4.733,-3.506,-1.961,823.372,-0.196,509.985,-1.98,0,0,0,0.496,3,100,0,0,34.243,2,0,0,6,0,6,6,18,0.0493265975474671,0.02,[0.01:0.03],1,0.346,0.741,18.11,[10.12:36.33],1,0.243,0.523,-4.7,[-4.94:-4.46],1,0.246,0.573,-10.81,[-10.96:-10.63],1,0.289,0.648,1.82,[1.56:2.08],1,0.579,0.712,0.78,[0.48:1.14],0,0.347,0.579,1,1,0.437455137067179,0.525014625172193,0.72,[0.06:1.38],1,0.36,0.449,3.26,[2.54:3.98],1,0.411,0.492,254.2245802,48,18,16,2,0,0,1,0,0.9375,5,2,1,1,37.3,69.615,0.423,1.65465485,0.920814116,3.71974549252958,1.974165103,0.935447087
C1CCC[C@@H](C(C)(C)CCC)[C@@H]1C(C)(C)C(=O)O,"cyclohexane,Custom_46,Custom_24",923,"cyclohexane,Custom_46,Custom_24",0,1,0.302,0.546,1,1,0.73,0.708,1,1,0.381,0.632,0,1,0.432,0.627,0,1,0.435,0.688,0,1,0.797,0.867,0,1,4,5,5845,[3300:10000],1,0.474,0.575,1,0.33333333,2,0,0,1,0,5,0,-1,254.412,0,476.224,431.148,45.076,0,0,880.491,1,2,0,0.0041997,0.9329053,25.873,7.358,10.63,3.503,4.156,-3.399,-3.506,-0.81,937.663,-0.083,586.913,-1.87,0,0,0,0.263,3,100,0,0,29.211,2,0,0,6,0,6,6,18,1.36993584306448,0.02,[0.01:0.03],1,0.352,0.743,18.08,[10.12:36.07],1,0.234,0.522,-4.73,[-4.98:-4.48],1,0.249,0.569,-10.81,[-10.96:-10.63],1,0.283,0.645,1.82,[1.56:2.08],1,0.601,0.721,0.77,[0.48:1.13],0,0.369,0.589,0,1,0.408336882336878,0.485922604616585,0.71,[0.05:1.37],1,0.325,0.445,3.61,[3:4.14],1,0.41,0.522,254.2245802,48,18,16,2,0,0,1,0,0.9375,5,2,1,1,37.3,70.017,0.422,1.65465485,0.920814116,3.76678451549786,1.974165103,0.935447087
C1CCC[C@@H](CC(C)(C)CC)[C@@H]1C(C)(C)C(=O)O,"cyclohexane,Custom_46,Custom_25",924,"cyclohexane,Custom_46,Custom_25",0,1,0.315,0.53,1,1,0.73,0.708,1,1,0.382,0.632,0,1,0.484,0.678,0,1,0.405,0.609,0,1,0.382,0.651,0,1,4,5,5845,[3300:10000],1,0.479,0.592,1,0.33333333,2,0,0,1,0,5,0,-1,254.412,0,473.515,431.326,42.189,0,0,889.54,1,2,0,0.0042237,0.9446597,26.235,7.504,10.824,3.477,4.236,-3.35,-3.506,-0.62,998.678,-0.053,628.3,-1.817,0,0,0,0.29,3,100,0,0,31.998,2,0,0,6,0,6,6,18,1.73318714577896,0.02,[0.01:0.03],1,0.334,0.736,18.14,[10.12:36.28],1,0.237,0.522,-4.7,[-4.94:-4.46],1,0.251,0.574,-10.81,[-10.96:-10.63],1,0.283,0.645,1.83,[1.57:2.09],1,0.615,0.726,0.81,[0.6:1.16],0,0.341,0.584,1,1,0.427600067358243,0.495554197127267,0.64,[-0.04:1.33],1,0.351,0.444,3.6,[2.99:4.14],1,0.41,0.521,254.2245802,48,18,16,2,0,0,1,0,0.9375,5,2,1,1,37.3,70.6763,0.422,1.65465485,0.920814116,3.76678451549786,1.974165103,0.935447087
C1CCC[C@@H](CCC(C)(C)C)[C@@H]1C(C)(C)C(=O)O,"cyclohexane,Custom_46,Custom_26",925,"cyclohexane,Custom_46,Custom_26",1,1,0.279,0.498,1,1,0.77,0.728,1,1,0.349,0.595,1,1,0.487,0.684,0,1,0.428,0.648,1,1,0.735,0.801,0,1,4,5,5844,[3300:10000],1,0.525,0.585,1,0.33333333,2,0,0,1,0,5,0,-1,254.412,0,511.574,473.025,38.549,0,0,938.743,1,2,0,0.0039095,0.9063324,28.204,7.676,11.213,3.544,4.568,-4.04,-3.506,-1.24,1081.277,-0.051,684.652,-1.75,0,0,0,0.42,3,100,0,0,32.428,2,0,0,6,0,6,6,18,0.413140281231572,0.02,[0.01:0.03],1,0.32,0.731,19.48,[10.12:38.96],1,0.24,0.506,-4.69,[-4.93:-4.45],1,0.252,0.575,-10.81,[-10.96:-10.63],1,0.283,0.645,1.83,[1.57:2.09],1,0.604,0.722,0.85,[0.6:1.18],0,0.356,0.593,1,1,0.445621620230741,0.504564973563516,0.78,[0.12:1.44],1,0.384,0.456,3.32,[2.69:3.95],1,0.403,0.507,254.2245802,48,18,16,2,0,0,1,0,0.9375,5,2,1,1,37.3,70.3905,0.422,1.65465485,0.920814116,3.76671020726226,1.974165103,0.935447087
O=C(O)CCCC[C@H]1[C@H](C)CCCC1,"cyclohexane,Custom_47,Custom_1",926,"cyclohexane,Custom_47,Custom_1",0,1,0.676,0.807,0,1,0.597,0.745,0,1,0.73,0.826,0,1,0.461,0.705,0,1,0.429,0.715,0,1,0.406,0.679,0,1,4,5,5250,[3000:9300],1,0.531,0.543,1,0.42857143,1,0,0,1,0,5,0,-1,198.305,0,469.991,361.836,108.155,0,0,787.322,1,2,0,0.0042554,0.8773581,22.144,6.529,9.735,3.917,3.123,-3.286,-2.369,-1.709,236.517,-0.675,132.436,-3.033,0,0,1,-0.005,3,87.718,0,0,50.946,2,0,0,6,0,6,6,14,0.0951654107940024,0.05,[0.01:0.09],1,0.408,0.735,0.3,[0.01:22.85],1,0.303,0.37,-4.67,[-4.88:-4.46],1,0.302,0.604,-10.88,[-11.02:-10.74],1,0.436,0.732,0.84,[0.26:1.57],1,0.334,0.526,0.57,[0.49:0.65],0,0.312,0.706,1,1,0.49230012869329,0.746150064346645,-0.45,[-0.79:-0.11],1,0.384,0.631,2.38,[1.97:2.76],1,0.532,0.625,198.161979944,36,14,12,2,0,0,1,0,0.916666666666667,5,2,1,0,37.3,48.1084,0.58,1.574918909,0.917826007,3.72015930340596,1.926491984,0.924638525
O=C(O)CCCC[C@H]1[C@H](CC)CCCC1,"cyclohexane,Custom_47,Custom_3",927,"cyclohexane,Custom_47,Custom_3",0,1,0.357,0.634,0,1,0.589,0.74,0,1,0.406,0.69,0,1,0.462,0.697,1,1,0.441,0.582,1,1,0.4,0.672,0,1,4,5,5649,[3200:10000],1,0.412,0.466,1,0.4,1,0,0,1,0,6,0,-1,212.331,0,493.04,384.976,108.064,0,0,836.202,1,2,0,0.0040565,0.8706093,23.458,6.979,10.141,3.752,3.424,-3.54,-2.65,-1.818,236.989,-0.749,132.722,-2.935,0,0,1,0.086,3,89.499,0,0,50.878,2,0,0,6,0,6,6,15,0.0710813281278431,0.03,[0.02:0.04],1,0.416,0.783,1.2,[0.01:23.18],1,0.283,0.36,-4.67,[-4.89:-4.45],1,0.291,0.595,-10.88,[-11.02:-10.74],1,0.417,0.728,2.01,[1.63:2.39],1,0.394,0.603,0.64,[0.52:0.76],0,0.303,0.679,1,1,0.509686256454584,0.600334631039818,-0.23,[-0.46:0],1,0.37,0.628,2.36,[2.11:2.61],1,0.533,0.7,212.177630008,39,15,13,2,0,0,1,0,0.923076923076923,6,2,1,1,37.3,51.1862,0.58,1.574918909,0.917826007,3.75197157473633,1.926491984,0.924638525
O=C(O)CCCC[C@H]1[C@H](CCC)CCCC1,"cyclohexane,Custom_47,Custom_4",928,"cyclohexane,Custom_47,Custom_4",0,1,0.341,0.616,0,1,0.503,0.682,0,1,0.368,0.63,0,1,0.46,0.73,0,1,0.445,0.665,0,1,0.429,0.691,0,1,4,5,6708,[3800:12000],1,0.393,0.468,1,0.375,1,0,0,1,0,7,0,-1,226.358,0,524.608,416.544,108.064,0,0,894.589,1,2,0,0.0038124,0.8558788,25.153,7.485,10.617,3.607,3.794,-3.951,-2.934,-2.057,236.989,-0.842,132.722,-2.839,0,0,1,0.202,3,91.666,0,0,50.878,2,0,0,6,0,6,6,16,0.0366891563251038,0.03,[0.01:0.04],1,0.395,0.773,1.38,[0.01:23.17],1,0.271,0.359,-4.67,[-4.9:-4.44],1,0.276,0.584,-10.88,[-11.02:-10.74],1,0.392,0.72,1.95,[1.58:2.32],1,0.39,0.608,0.64,[0.52:0.76],0,0.294,0.676,1,1,0.490418042667531,0.745209021333765,-0.19,[-0.39:0.01],1,0.38,0.639,2.37,[2.13:2.61],1,0.498,0.692,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,7,2,1,1,37.3,55.638,0.58,1.574918909,0.917826007,3.82659305393405,1.926491984,0.924638525
O=C(O)CCCC[C@@H]([C@@H]1C(C)C)CCCC1,"cyclohexane,Custom_47,Custom_5",929,"cyclohexane,Custom_47,Custom_5",0,1,0.334,0.605,0,1,0.542,0.702,0,1,0.374,0.641,0,1,0.452,0.721,1,1,0.437,0.596,1,1,0.403,0.684,0,1,4,5,5652,[3200:10000],1,0.497,0.5,1,0.375,1,0,0,1,0,6,0,-1,226.358,0,510.013,401.949,108.064,0,0,872.18,1,2,0,0.0039215,0.8656073,24.898,7.309,10.646,3.793,3.653,-3.848,-2.934,-1.899,236.989,-0.76,132.722,-2.935,0,0,1,0.184,3,90.838,0,0,50.878,2,0,0,6,0,6,6,16,0.037273199071173,0.03,[0.02:0.04],1,0.374,0.773,6.48,[0.01:51.5],1,0.268,0.331,-4.67,[-4.9:-4.44],1,0.271,0.583,-10.88,[-11.02:-10.74],1,0.361,0.709,1.9,[1.54:2.26],1,0.396,0.617,0.57,[0.49:0.65],0,0.297,0.701,1,1,0.494751471113419,0.74737573555671,-0.1,[-0.32:0.12],1,0.354,0.608,2.36,[2.12:2.6],1,0.505,0.695,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,6,2,1,1,37.3,56.6437,0.541,1.574918909,0.917826007,3.75220215317652,1.926491984,0.924638525
O=C(O)CCCC[C@H]1[C@H](CCCC)CCCC1,"cyclohexane,Custom_47,Custom_6",930,"cyclohexane,Custom_47,Custom_6",0,1,0.633,0.771,0,1,0.497,0.678,0,1,0.333,0.597,0,1,0.466,0.723,0,1,0.454,0.703,0,1,0.444,0.698,0,1,4,5,5995,[3400:11000],1,0.378,0.506,1,0.35294118,1,0,0,1,0,8,0,-1,240.385,0,556.204,448.14,108.064,0,0,952.987,1,2,0,0.0035958,0.8420201,26.848,8.009,11.092,3.463,4.166,-4.366,-3.219,-2.281,236.989,-0.935,132.722,-2.743,0,0,1,0.32,3,93.84,0,0,50.878,2,0,0,6,0,6,6,17,0.0187226239748878,0.02,[0:0.04],1,0.401,0.772,5.59,[0.01:27.44],1,0.263,0.382,-4.78,[-5.11:-4.45],1,0.259,0.516,-10.88,[-11.02:-10.74],1,0.364,0.71,2.01,[1.67:2.35],1,0.381,0.613,0.64,[0.52:0.76],0,0.283,0.672,1,1,0.4763524869575,0.73817624347875,-0.11,[-0.34:0.12],1,0.379,0.613,2.87,[2.31:3.44],1,0.423,0.575,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,8,2,1,1,37.3,58.5496,0.58,1.609198985,0.912841894,3.77778918743487,1.951544529,0.929619454
O=C(O)CCCC[C@@H]([C@@H]1[C@@H](C)CC)CCCC1,"cyclohexane,Custom_47,Custom_7",931,"cyclohexane,Custom_47,Custom_7",0,1,0.621,0.757,0,1,0.537,0.698,0,1,0.325,0.607,0,1,0.454,0.727,1,1,0.444,0.606,1,1,0.423,0.693,0,1,4,5,6703,[3800:12000],1,0.435,0.471,1,0.35294118,1,0,0,1,0,7,0,-1,240.385,0,533.582,425.518,108.064,0,0,922.03,1,2,0,0.0037482,0.8586054,26.251,7.768,11.067,3.629,3.971,-4.115,-3.219,-2.012,236.989,-0.836,132.722,-2.839,0,0,1,0.279,3,92.697,0,0,50.878,2,0,0,6,0,6,6,17,0.0267298147831223,0.02,[0:0.04],1,0.388,0.77,5.91,[0.01:27.63],1,0.259,0.385,-4.79,[-5.11:-4.47],1,0.259,0.523,-10.78,[-10.95:-10.61],1,0.334,0.673,1.92,[1.56:2.28],1,0.387,0.611,0.57,[0.49:0.65],0,0.289,0.699,1,1,0.476501234644158,0.583742120134605,0.11,[-0.21:0.43],1,0.355,0.572,2.39,[2.18:2.6],1,0.442,0.678,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,7,2,1,1,37.3,59.7215,0.541,1.609198985,0.912841894,3.82626921939373,1.951544529,0.929619454
O=C(O)CCCC[C@@H]([C@@H]1CC(C)C)CCCC1,"cyclohexane,Custom_47,Custom_8",932,"cyclohexane,Custom_47,Custom_8",0,1,0.312,0.644,0,1,0.497,0.678,0,1,0.326,0.596,0,1,0.462,0.716,0,1,0.436,0.699,0,1,0.424,0.682,0,1,4,5,6703,[3800:12000],1,0.429,0.468,1,0.35294118,1,0,0,1,0,7,0,-1,240.385,0,540.518,432.454,108.064,0,0,935.65,1,2,0,0.0037002,0.8559148,26.796,7.89,11.25,3.645,4.057,-4.241,-3.219,-2.056,236.989,-0.842,132.722,-2.839,0,0,1,0.317,3,93.205,0,0,50.878,2,0,0,6,0,6,6,17,0.0199697086287597,0.02,[0:0.04],1,0.363,0.761,5.82,[0.01:27.61],1,0.263,0.385,-4.79,[-5.12:-4.46],1,0.26,0.522,-10.78,[-10.95:-10.61],1,0.334,0.673,1.87,[1.53:2.21],1,0.41,0.628,0.57,[0.49:0.65],0,0.287,0.698,1,1,0.487082749222302,0.743541374611151,-0.11,[-0.34:0.12],1,0.375,0.612,2.39,[2.18:2.6],1,0.438,0.677,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,7,2,1,1,37.3,61.5091,0.541,1.609198985,0.912841894,3.82626921939373,1.951544529,0.929619454
O=C(O)CCCC[C@@H]([C@@H]1C(C)(C)C)CCCC1,"cyclohexane,Custom_47,Custom_9",933,"cyclohexane,Custom_47,Custom_9",0,1,0.314,0.599,0,1,0.551,0.679,1,1,0.372,0.526,0,1,0.486,0.725,0,1,0.423,0.619,0,1,0.402,0.688,0,1,4,5,5706,[3200:10000],1,0.533,0.599,1,0.35294118,1,0,0,1,0,6,0,-1,240.385,0,511.393,403.235,108.158,0,0,904.797,1,2,0,0.0039109,0.8846632,26.203,7.728,11.335,3.797,3.865,-3.873,-3.219,-1.591,236.505,-0.719,132.429,-2.937,0,0,1,0.279,3,92.061,0,0,50.947,2,0,0,6,0,6,6,17,0.0372134173891473,0.02,[0.01:0.03],1,0.33,0.745,6.31,[0.01:27.86],1,0.255,0.388,-4.79,[-5.12:-4.46],1,0.251,0.519,-10.82,[-10.97:-10.65],1,0.311,0.671,1.82,[1.55:2.09],1,0.49,0.681,0.57,[0.49:0.65],0,0.291,0.699,1,1,0.46559672558532,0.578289865605187,0.11,[-0.2:0.42],1,0.344,0.57,2.39,[2.18:2.6],1,0.446,0.679,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,6,2,1,1,37.3,62.2728,0.501,1.609198985,0.912841894,3.75633176732106,1.951544529,0.929619454
O=C(O)CCCC[C@H]1[C@@H](CCCC1)CCCCC,"cyclohexane,Custom_47,Custom_10",934,"cyclohexane,Custom_47,Custom_10",0,1,0.627,0.78,0,1,0.835,0.817,0,1,0.357,0.609,0,1,0.508,0.749,0,1,0.464,0.702,0,1,0.449,0.706,0,1,4,5,6211,[3500:11000],1,0.379,0.503,1,0.33333333,1,0,0,1,0,9,0,-2,254.412,0,586.653,478.594,108.059,0,0,1010.001,1,2,0,0.0034092,0.8298471,28.487,8.538,11.556,3.315,4.529,-4.761,-3.506,-2.478,237.014,-1.025,132.737,-2.647,0,0,1,0.435,3,95.971,0,0,50.938,2,0,0,6,0,6,6,18,0.00994347388819371,0.02,[0:0.04],1,0.408,0.774,6.01,[0.01:27.62],1,0.255,0.383,-4.8,[-5.13:-4.47],1,0.243,0.513,-10.78,[-10.95:-10.61],1,0.338,0.675,1.99,[1.66:2.32],1,0.362,0.61,0.77,[0.6:0.96],0,0.277,0.606,1,1,0.465400962167547,0.732700481083774,0.13,[-0.2:0.46],1,0.37,0.572,3.44,[3.02:3.86],1,0.394,0.571,254.2245802,48,18,16,2,0,0,1,0,0.9375,9,2,1,1,37.3,61.4612,0.58,1.65465485,0.920814116,3.79316152924555,1.974165103,0.935447087
O=C(O)CCCC[C@H](CCCC1)[C@@H]1[C@@H](C)CCC,"cyclohexane,Custom_47,Custom_11",935,"cyclohexane,Custom_47,Custom_11",0,1,0.616,0.765,0,1,0.535,0.68,0,1,0.358,0.632,0,1,0.455,0.703,0,1,0.445,0.655,0,1,0.422,0.702,0,1,4,5,5998,[3400:11000],1,0.447,0.526,1,0.33333333,1,0,0,1,0,8,0,-1,254.412,0,565.149,457.085,108.064,0,0,980.416,1,2,0,0.0035389,0.8445189,27.945,8.287,11.542,3.484,4.342,-4.529,-3.506,-2.24,236.989,-0.929,132.722,-2.743,0,0,1,0.397,3,94.873,0,0,50.878,2,0,0,6,0,6,6,18,0.0135888575195857,0.02,[0:0.04],1,0.375,0.763,19.61,[10.12:38.97],1,0.252,0.51,-4.8,[-5.13:-4.47],1,0.245,0.513,-10.82,[-10.97:-10.65],1,0.313,0.671,1.97,[1.64:2.3],1,0.39,0.624,0.6,[0.53:0.67],0,0.28,0.704,1,1,0.461623869384503,0.576303437504778,0.13,[-0.19:0.45],1,0.36,0.569,3.5,[2.84:4.14],1,0.385,0.516,254.2245802,48,18,16,2,0,0,1,0,0.9375,8,2,1,1,37.3,64.1733,0.541,1.65465485,0.920814116,3.77800646142351,1.974165103,0.935447087
O=C(O)CCCC[C@H](CCCC1)[C@@H]1C[C@@H](C)CC,"cyclohexane,Custom_47,Custom_12",936,"cyclohexane,Custom_47,Custom_12",0,1,0.618,0.767,0,1,0.575,0.7,0,1,0.401,0.643,0,1,0.463,0.723,0,1,0.445,0.687,0,1,0.426,0.64,0,1,4,5,5998,[3400:11000],1,0.413,0.51,1,0.33333333,1,0,0,1,0,8,0,-1,254.412,0,562.858,454.799,108.059,0,0,983.997,1,2,0,0.0035533,0.8500186,28.089,8.339,11.657,3.479,4.366,-4.487,-3.506,-2.151,237.014,-0.916,132.737,-2.743,0,0,1,0.408,3,95.015,0,0,50.938,2,0,0,6,0,6,6,18,0.0149703305681064,0.02,[0:0.04],1,0.388,0.767,19.77,[10.12:39.18],1,0.253,0.511,-4.8,[-5.13:-4.47],1,0.247,0.515,-10.82,[-10.97:-10.65],1,0.313,0.671,1.97,[1.64:2.3],1,0.383,0.62,0.64,[0.52:0.76],0,0.279,0.671,1,1,0.474622848868756,0.737311424434378,0.13,[-0.2:0.46],1,0.367,0.571,3.3,[2.72:3.88],1,0.384,0.532,254.2245802,48,18,16,2,0,0,1,0,0.9375,8,2,1,1,37.3,64.5869,0.541,1.65465485,0.920814116,3.77800646142351,1.974165103,0.935447087
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O=C(O)[C@@H](C)CC[C@@H]([C@@H]1[C@@H](C)C(C)C)CCCC1,"cyclohexane,Custom_50,Custom_14",1013,"cyclohexane,Custom_50,Custom_14",0,1,0.646,0.733,0,1,0.534,0.667,0,1,0.36,0.611,0,1,0.447,0.669,0,1,0.431,0.623,0,1,0.411,0.669,0,1,3,5,3127,[1800:5600],1,0.677,0.611,1,0.33333333,1,0,0,1,0,6,0,-1,254.412,0,520.154,442.234,77.92,0,0,932.969,1,2,0,0.003845,0.8877234,27.331,7.798,11.311,3.612,4.255,-4.033,-3.506,-1.541,457.701,-0.457,270.344,-2.38,0,0,1,0.357,3,100,0,0,45.268,2,0,0,6,0,6,6,18,0.0984365342101951,0.02,[0.01:0.03],1,0.336,0.741,19.55,[10.12:38.96],1,0.248,0.509,-4.83,[-5.16:-4.5],1,0.258,0.518,-10.82,[-10.97:-10.65],1,0.296,0.664,1.82,[1.56:2.08],1,0.528,0.695,0.6,[0.53:0.67],0,0.306,0.712,1,1,0.472687070913741,0.581835038269397,0.27,[-0.22:0.76],1,0.348,0.524,2.93,[2.26:3.69],1,0.406,0.476,254.2245802,48,18,16,2,0,0,1,0,0.9375,6,2,1,1,37.3,68.6125,0.463,1.65465485,0.920814116,3.49512788124293,1.974165103,0.935447087
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O=C(O)CC(C)(C)[C@H]1[C@H]([C@@H](C)CCC)CCCC1,"cyclohexane,Custom_51,Custom_11",1035,"cyclohexane,Custom_51,Custom_11",1,1,0.206,0.501,0,1,0.506,0.655,1,1,0.391,0.519,0,1,0.434,0.685,0,1,0.406,0.692,0,1,0.36,0.634,0,1,4,5,5764,[3200:10000],1,0.457,0.571,1,0.33333333,1,0,0,1,0,6,0,-1,254.412,0,503.249,419.119,84.129,0,0,898.863,1,2,0,0.0039742,0.8950445,25.966,7.56,10.946,3.614,3.995,-3.725,-3.506,-1.423,399.669,-0.498,233.493,-2.494,0,0,1,0.264,3,96.903,0,0,44.691,2,0,0,6,0,6,6,18,0.153521411955659,0.02,[0.01:0.03],1,0.343,0.743,19.1,[10.12:38.36],1,0.244,0.507,-4.8,[-5.14:-4.46],1,0.241,0.51,-10.82,[-10.96:-10.65],1,0.283,0.649,1.82,[1.56:2.08],1,0.507,0.689,0.55,[0.49:0.6],0,0.316,0.725,1,1,0.418842584796043,0.515708349036625,0.35,[-0.04:0.79],1,0.296,0.52,3.31,[2.51:4.11],1,0.412,0.472,254.2245802,48,18,16,2,0,0,1,0,0.9375,6,2,1,1,37.3,68.2931,0.462,1.65465485,0.920814116,3.76072397214195,1.974165103,0.935447087
O=C(O)CC(C)(C)[C@H]1[C@H](C[C@@H](C)CC)CCCC1,"cyclohexane,Custom_51,Custom_12",1036,"cyclohexane,Custom_51,Custom_12",1,1,0.215,0.507,0,1,0.506,0.655,1,1,0.357,0.514,0,1,0.442,0.703,0,1,0.42,0.689,0,1,0.431,0.691,0,1,4,5,5764,[3200:10000],1,0.462,0.583,1,0.33333333,1,0,0,1,0,6,0,-1,254.412,0,504.438,422.752,81.686,0,0,907.929,1,2,0,0.0039648,0.8989279,26.329,7.651,11.084,3.6,4.071,-3.747,-3.506,-1.36,421.57,-0.472,247.353,-2.449,0,0,1,0.29,3,100,0,0,44.691,2,0,0,6,0,6,6,18,0.162029338688028,0.02,[0.01:0.03],1,0.343,0.743,19.18,[10.12:38.48],1,0.244,0.507,-4.8,[-5.13:-4.47],1,0.241,0.51,-10.82,[-10.96:-10.65],1,0.283,0.649,1.82,[1.56:2.08],1,0.49,0.683,0.75,[0.48:1.11],0,0.303,0.57,1,1,0.431634064175116,0.522104088726161,0.73,[0.07:1.39],1,0.351,0.446,3.31,[2.51:4.11],1,0.412,0.472,254.2245802,48,18,16,2,0,0,1,0,0.9375,6,2,1,1,37.3,68.7067,0.462,1.65465485,0.920814116,3.76072397214195,1.974165103,0.935447087
O=C(O)CC(C)(C)[C@H]1[C@H](CCC(C)C)CCCC1,"cyclohexane,Custom_51,Custom_13",1037,"cyclohexane,Custom_51,Custom_13",0,1,0.209,0.566,0,1,0.466,0.635,1,1,0.347,0.49,0,1,0.439,0.677,0,1,0.425,0.699,0,1,0.379,0.66,0,1,3,5,3330,[1900:5900],1,0.465,0.584,1,0.33333333,1,0,0,1,0,6,0,-1,254.412,0,515.721,431.969,83.752,0,0,923.02,1,2,0,0.0038781,0.8889788,26.933,7.752,11.262,3.641,4.151,-3.952,-3.506,-1.521,402.978,-0.505,235.583,-2.487,0,0,1,0.33,3,100,0,0,44.691,2,0,0,6,0,6,6,18,0.0925535879017687,0.02,[0.01:0.03],1,0.322,0.736,6.05,[0.01:27.43],1,0.243,0.383,-4.8,[-5.13:-4.47],1,0.242,0.51,-10.82,[-10.96:-10.65],1,0.283,0.649,1.83,[1.58:2.08],1,0.578,0.717,0.6,[0.53:0.67],0,0.312,0.714,1,1,0.438204633524425,0.564593819574739,0.64,[-0.04:1.33],1,0.357,0.446,3.03,[2.33:3.73],1,0.409,0.491,254.2245802,48,18,16,2,0,0,1,0,0.9375,6,2,1,1,37.3,69.6671,0.462,1.65465485,0.920814116,3.52244423350632,1.974165103,0.935447087
O=C(O)CC(C)(C)[C@H]1[C@H]([C@@H](C)C(C)C)CCCC1,"cyclohexane,Custom_51,Custom_14",1038,"cyclohexane,Custom_51,Custom_14",1,1,0.246,0.521,0,1,0.506,0.655,1,1,0.406,0.521,0,1,0.434,0.65,0,1,0.49,0.735,0,1,0.723,0.839,0,1,4,5,5252,[3000:9300],1,0.451,0.58,1,0.33333333,1,0,0,1,0,1,0,-1,254.412,0,538.398,455.777,82.62,0,0,933.368,1,2,0,0.0037147,0.8578877,30.557,7.696,12.494,4.791,4.219,-5.18,-3.247,-2.024,413.058,-0.245,241.958,-2.946,0,0,0,0.565,3,100,0,0,43.227,2,0,0,11,0,6,10,18,0.00190455207106905,0.02,[0.01:0.03],1,0.34,0.742,19.1,[10.12:38.33],1,0.243,0.507,-4.79,[-5.12:-4.46],1,0.243,0.512,-10.82,[-10.96:-10.65],1,0.281,0.648,1.82,[1.56:2.08],1,0.554,0.707,0.6,[0.53:0.67],0,0.311,0.714,1,1,0.408929051607656,0.510751582442432,0.63,[-0.04:1.32],1,0.304,0.429,3.25,[2.53:3.97],1,0.413,0.493,254.2245802,48,18,16,2,0,0,1,0,0.9375,5,2,1,1,37.3,69.2988,0.423,1.65465485,0.920814116,3.72032471741744,1.974165103,0.935447087
O=C(O)CC(C)(C)[C@H]1[C@H](CC(C)(C)C)CCCC1,"cyclohexane,Custom_51,Custom_15",1039,"cyclohexane,Custom_51,Custom_15",0,1,0.275,0.515,1,1,0.81,0.748,1,1,0.378,0.63,0,1,0.434,0.701,0,1,0.437,0.714,0,1,0.368,0.66,0,1,4,5,5470,[3100:9700],1,0.451,0.547,1,0.33333333,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,0.01,[0.01:0.02],1,0.309,0.733,19.35,[10.12:38.64],1,0.234,0.504,-4.8,[-5.14:-4.46],1,0.236,0.507,-10.82,[-10.96:-10.65],1,0.279,0.647,1.83,[1.58:2.08],1,0.574,0.716,0.77,[0.48:1.12],0,0.3,0.567,1,1,0.422609509968956,0.493058918432624,0.77,[0.1:1.44],1,0.363,0.448,3.32,[2.69:3.95],1,0.406,0.508,254.2245802,48,18,16,2,0,0,1,0,0.9375,5,2,1,1,37.3,70.3771,0.422,1.65465485,0.920814116,3.73798732633343,1.974165103,0.935447087
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O=C(O)CC(C)(C)[C@H]1[C@@H](CCCC1)[C@@H](C)CCCC,"cyclohexane,Custom_51,Custom_18",1042,"cyclohexane,Custom_51,Custom_18",0,1,0.239,0.537,0,1,0.543,0.672,0,1,0.328,0.515,0,1,0.474,0.72,0,1,0.412,0.672,0,1,0.372,0.616,0,1,3,5,3347,[1900:6000],1,0.444,0.601,1,0.31578947,1,0,0,1,0,7,0,-1,268.439,0,535.517,451.388,84.129,0,0,958.036,1,2,0,0.0037347,0.8776328,27.692,8.03,11.428,3.471,4.371,-4.15,-3.794,-1.705,399.669,-0.587,233.493,-2.398,0,0,1,0.383,3,100,0,0,44.691,2,0,0,6,0,6,6,19,0.0759867517641526,0.03,[0.02:0.04],1,0.342,0.745,19.21,[10.12:38.32],1,0.234,0.505,-4.81,[-5.15:-4.47],1,0.23,0.504,-10.82,[-10.96:-10.65],1,0.269,0.643,1.81,[1.56:2.06],1,0.48,0.688,0.6,[0.53:0.67],0,0.31,0.713,1,1,0.4146155177309,0.513594815504053,0.35,[-0.04:0.79],1,0.311,0.524,3.19,[2.34:4.04],1,0.373,0.432,268.240230264,51,19,17,2,0,0,1,0,0.941176470588235,7,2,1,1,37.3,71.2047,0.462,1.624709484,0.918686155,3.52465571235778,1.949404529,0.934024125
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O=C(O)CC(C)(C)[C@H]1[C@@H](CCCC1)CC[C@H](C)CC,"cyclohexane,Custom_51,Custom_20",1044,"cyclohexane,Custom_51,Custom_20",1,1,0.251,0.533,0,1,0.503,0.652,1,1,0.333,0.519,0,1,0.478,0.69,0,1,0.434,0.688,0,1,0.388,0.66,0,1,3,5,3347,[1900:6000],1,0.446,0.599,1,0.31578947,1,0,0,1,0,7,0,-1,268.439,0,539.91,456.601,83.308,0,0,972.554,1,2,0,0.0037043,0.8792648,28.273,8.168,11.658,3.476,4.47,-4.23,-3.794,-1.678,406.898,-0.577,238.061,-2.383,0,0,1,0.424,3,100,0,0,44.691,2,0,0,6,0,6,6,19,0.0654134403611128,0.02,[0.01:0.03],1,0.329,0.742,19.3,[10.12:38.45],1,0.235,0.505,-4.81,[-5.15:-4.47],1,0.229,0.504,-10.82,[-10.96:-10.65],1,0.269,0.643,1.83,[1.58:2.08],1,0.529,0.7,0.77,[0.48:1.12],0,0.305,0.57,1,1,0.430432573975745,0.521503343626476,0.69,[0.04:1.34],1,0.35,0.456,3.18,[2.33:4.03],1,0.371,0.43,268.240230264,51,19,17,2,0,0,1,0,0.941176470588235,7,2,1,1,37.3,72.7449,0.462,1.624709484,0.918686155,3.52465571235778,1.949404529,0.934024125
O=C(O)CC(C)(C)[C@H]1[C@@H](CCCC1)CCCC(C)C,"cyclohexane,Custom_51,Custom_21",1045,"cyclohexane,Custom_51,Custom_21",0,1,0.208,0.567,0,1,0.463,0.632,0,1,0.342,0.513,0,1,0.437,0.677,0,1,0.423,0.698,0,1,0.386,0.64,0,1,3,5,3347,[1900:6000],1,0.514,0.62,1,0.31578947,1,0,0,1,0,7,0,-1,268.439,0,550.691,467.324,83.367,0,0,983.36,1,2,0,0.0036318,0.8684248,28.705,8.225,11.718,3.502,4.536,-4.427,-3.794,-1.854,406.382,-0.595,237.735,-2.384,0,0,1,0.452,3,100,0,0,44.691,2,0,0,6,0,6,6,19,0.0414515070628752,0.02,[0.01:0.03],1,0.319,0.738,19.37,[10.12:38.56],1,0.233,0.504,-4.81,[-5.15:-4.47],1,0.228,0.503,-10.82,[-10.96:-10.65],1,0.269,0.643,1.83,[1.58:2.08],1,0.563,0.714,0.77,[0.48:1.12],0,0.305,0.57,1,1,0.433549328439561,0.523061720858384,0.69,[0.04:1.34],1,0.363,0.461,3.47,[2.67:4.14],1,0.368,0.429,268.240230264,51,19,17,2,0,0,1,0,0.941176470588235,7,2,1,1,37.3,72.5787,0.462,1.624709484,0.918686155,3.52465571235778,1.949404529,0.934024125
O=C(O)CC(C)(C)[C@H]1[C@H]([C@@H](C)[C@@H](C)CC)CCCC1,"cyclohexane,Custom_51,Custom_22",1046,"cyclohexane,Custom_51,Custom_22",1,1,0.28,0.536,0,1,0.543,0.672,1,1,0.341,0.511,0,1,0.436,0.688,0,1,0.454,0.671,0,1,0.419,0.68,0,1,3,5,3104,[1700:5500],1,0.48,0.578,1,0.31578947,1,0,0,1,0,6,0,-1,268.439,0,503.044,418.915,84.129,0,0,915.05,1,2,0,0.0039758,0.9061257,26.614,7.777,11.302,3.613,4.101,-3.722,-3.794,-1.243,399.669,-0.481,233.493,-2.494,0,0,1,0.311,3,100,0,0,44.691,2,0,0,6,0,6,6,19,0.163375354865377,0.03,[0.02:0.04],1,0.344,0.745,19.2,[10.12:38.28],1,0.232,0.505,-4.81,[-5.15:-4.47],1,0.232,0.505,-10.82,[-10.96:-10.65],1,0.265,0.641,1.82,[1.56:2.08],1,0.499,0.689,0.75,[0.48:1.11],0,0.305,0.571,1,1,0.398751479015603,0.505662796146405,0.69,[0.04:1.34],1,0.294,0.438,3.68,[3.19:4.14],1,0.381,0.545,268.240230264,51,19,17,2,0,0,1,0,0.941176470588235,6,2,1,1,37.3,72.3766,0.423,1.624709484,0.918686155,3.49192171258615,1.949404529,0.934024125
O=C(O)CC(C)(C)[C@H]1[C@H](C[C@@H](C)C(C)C)CCCC1,"cyclohexane,Custom_51,Custom_23",1047,"cyclohexane,Custom_51,Custom_23",1,1,0.247,0.493,0,1,0.503,0.652,1,1,0.338,0.489,0,1,0.444,0.709,0,1,0.432,0.685,0,1,0.398,0.658,0,1,3,5,3216,[1800:5700],1,0.488,0.579,1,0.31578947,1,0,0,1,0,6,0,-1,268.439,0,539.107,464.222,74.884,0,0,988.402,1,2,0,0.0037098,0.8901146,29.549,8.306,12.157,3.637,4.632,-4.379,-3.794,-1.503,489.071,-0.428,290.426,-2.324,0,0,1,0.513,3,100,0,0,42.978,2,0,0,6,0,6,6,19,0.0533064228739336,0.02,[0.01:0.03],1,0.327,0.738,19.3,[10.12:38.42],1,0.233,0.505,-4.8,[-5.14:-4.46],1,0.231,0.505,-10.82,[-10.96:-10.65],1,0.265,0.641,1.83,[1.58:2.08],1,0.569,0.717,0.75,[0.48:1.11],0,0.297,0.567,1,1,0.41772846177282,0.515151287525013,0.73,[0.07:1.39],1,0.336,0.45,3.5,[2.82:4.14],1,0.376,0.487,268.240230264,51,19,17,2,0,0,1,0,0.941176470588235,6,2,1,1,37.3,74.1642,0.423,1.624709484,0.918686155,3.50731604007641,1.949404529,0.934024125
O=C(O)CC(C)(C)[C@H]1[C@H](C(C)(C)CCC)CCCC1,"cyclohexane,Custom_51,Custom_24",1048,"cyclohexane,Custom_51,Custom_24",1,1,0.162,0.503,1,1,0.772,0.73,1,1,0.338,0.584,0,1,0.428,0.692,0,1,0.47,0.685,0,1,0.344,0.631,0,1,3,5,3652,[2100:6500],1,0.417,0.571,1,0.31578947,1,0,0,1,0,2,0,-1,268.439,0,554.693,472.28,82.413,0,0,960.405,1,2,0,0.0036056,0.8486892,30.997,7.924,12.533,4.608,4.392,-5.315,-3.534,-2.173,414.936,-0.32,243.148,-2.846,0,0,0,0.597,3,100,0,0,43.365,2,0,0,11,0,6,10,19,0.00185290106680963,0.06,[0.01:0.13],1,0.326,0.667,19.27,[10.12:38.33],1,0.225,0.503,-4.81,[-5.15:-4.47],1,0.228,0.503,-10.82,[-10.96:-10.65],1,0.264,0.641,1.83,[1.59:2.07],1,0.578,0.721,0.6,[0.53:0.67],0,0.317,0.716,0,1,0.401815515470975,0.507194814374091,0.18,[-0.04:0.46],0,0.241,0.552,3.68,[3.19:4.14],1,0.377,0.544,268.240230264,51,19,17,2,0,0,1,0,0.941176470588235,6,2,1,1,37.3,74.5662,0.422,1.624709484,0.918686155,3.56253076886226,1.949404529,0.934024125
O=C(O)CC(C)(C)[C@H]1[C@H](CC(C)(C)CC)CCCC1,"cyclohexane,Custom_51,Custom_25",1049,"cyclohexane,Custom_51,Custom_25",1,1,0.18,0.505,1,1,0.732,0.71,1,1,0.334,0.584,0,1,0.441,0.701,0,1,0.416,0.68,0,1,0.395,0.664,0,1,3,5,3652,[2100:6500],1,0.59,0.593,1,0.31578947,1,0,0,1,0,6,0,-1,268.439,0,502.57,420.942,81.628,0,0,924.681,1,2,0,0.0039795,0.9133344,26.999,7.892,11.478,3.595,4.181,-3.713,-3.794,-1.127,422.106,-0.45,247.692,-2.448,0,0,1,0.339,3,100,0,0,44.691,2,0,0,6,0,6,6,19,0.185310812715092,0.06,[0.01:0.13],1,0.312,0.659,19.38,[10.12:38.48],1,0.227,0.503,-4.81,[-5.15:-4.47],1,0.229,0.503,-10.82,[-10.96:-10.65],1,0.264,0.641,1.84,[1.6:2.08],1,0.594,0.728,0.77,[0.48:1.13],0,0.294,0.564,1,1,0.411829528755085,0.512201821016146,0.76,[0.1:1.42],1,0.336,0.449,3.44,[2.74:4.14],1,0.376,0.485,268.240230264,51,19,17,2,0,0,1,0,0.941176470588235,6,2,1,1,37.3,75.2255,0.422,1.624709484,0.918686155,3.56253076886226,1.949404529,0.934024125
O=C(O)CC(C)(C)[C@H]1[C@H](CCC(C)(C)C)CCCC1,"cyclohexane,Custom_51,Custom_26",1050,"cyclohexane,Custom_51,Custom_26",1,0,0.183,0.483,1,1,0.772,0.73,1,1,0.316,0.549,1,1,0.44,0.677,0,1,0.421,0.697,1,1,0.377,0.627,0,1,3,5,3652,[2100:6500],1,0.573,0.594,1,0.31578947,1,0,0,1,0,6,0,-1,268.439,0,512.049,436.458,75.591,0,0,955.693,1,2,0,0.0039059,0.9163598,28.24,8.151,11.899,3.577,4.422,-3.885,-3.794,-1.078,481.582,-0.398,285.622,-2.337,0,0,1,0.426,3,100,0,0,44.127,2,0,0,6,0,6,6,19,0.161029322989428,0.06,[0.01:0.13],1,0.299,0.655,19.49,[10.12:38.65],1,0.225,0.502,-4.81,[-5.15:-4.47],1,0.227,0.503,-10.82,[-10.96:-10.65],1,0.265,0.641,1.84,[1.6:2.08],1,0.58,0.722,0.77,[0.48:1.12],0,0.307,0.571,1,1,0.423545040807433,0.51805957704232,0.68,[0.04:1.33],1,0.36,0.46,3.34,[2.53:4.14],1,0.369,0.452,268.240230264,51,19,17,2,0,0,1,0,0.941176470588235,6,2,1,1,37.3,74.9397,0.422,1.624709484,0.918686155,3.56253076886226,1.949404529,0.934024125
O=C(O)C(C)(C)C[C@H]1[C@H](C)CCCC1,"cyclohexane,Custom_52,Custom_1",1051,"cyclohexane,Custom_52,Custom_1",1,1,0.675,0.701,0,1,0.513,0.663,1,1,0.815,0.778,0,1,0.485,0.726,0,1,0.371,0.676,0,1,0.343,0.658,0,1,4,5,8983,[5100:16000],1,0.591,0.546,1,0.42857143,2,0,0,1,0,3,0,-1,198.305,0,414.496,347.666,66.83,0,0,724.209,1,2,0,0.0048251,0.9409224,20.903,6.104,9.152,3.944,3.013,-2.617,-2.369,-0.68,583.112,-0.121,351.232,-2.463,0,0,0,-0.079,3,94.09,0,0,41.053,2,0,0,6,0,6,6,14,1.64880031686936,0.07,[0:0.14],1,0.362,0.679,1.31,[0.01:23.85],1,0.283,0.358,-4.52,[-4.7:-4.34],1,0.276,0.619,-10.78,[-10.96:-10.6],1,0.355,0.677,0.5,[0.36:0.64],1,0.375,0.703,0.57,[0.49:0.65],0,0.4,0.736,1,1,0.518437330728098,0.604710168176576,-0.37,[-0.67:-0.07],1,0.4,0.644,2.15,[1.82:2.48],1,0.543,0.657,198.161979944,36,14,12,2,0,0,1,0,0.916666666666667,3,2,1,0,37.3,51.6635,0.501,1.574918909,0.917826007,3.95342139968103,1.926491984,0.924638525
O=C(O)C(C)(C)C[C@H]1[C@H](CC)CCCC1,"cyclohexane,Custom_52,Custom_3",1052,"cyclohexane,Custom_52,Custom_3",0,1,0.349,0.576,0,1,0.513,0.661,0,1,0.381,0.631,0,1,0.449,0.693,0,1,0.383,0.686,0,1,0.4,0.687,0,1,4,5,8813,[5000:16000],1,0.785,0.677,1,0.4,2,0,0,1,0,4,0,-1,212.331,0,446.867,385.095,61.772,0,0,778.026,1,2,0,0.0044756,0.9154808,22.414,6.38,9.432,3.767,3.401,-3.138,-2.65,-1.092,651.201,-0.169,395.764,-2.274,0,0,0,0.02,3,100,0,0,36.055,2,0,0,6,0,6,6,15,1.04804253562921,0.05,[0:0.11],1,0.372,0.691,1.47,[0.01:23.8],1,0.272,0.357,-4.62,[-4.9:-4.34],1,0.268,0.563,-10.77,[-10.95:-10.59],1,0.34,0.671,0.81,[0.26:1.51],1,0.339,0.538,0.64,[0.52:0.76],0,0.371,0.702,1,1,0.502863895231951,0.557719004254579,-0.22,[-0.45:0.01],1,0.374,0.629,2.27,[1.91:2.63],1,0.474,0.621,212.177630008,39,15,13,2,0,0,1,0,0.923076923076923,4,2,1,0,37.3,54.7413,0.501,1.574918909,0.917826007,3.94512377012212,1.926491984,0.924638525
O=C(O)C(C)(C)C[C@H]1[C@H](CCC)CCCC1,"cyclohexane,Custom_52,Custom_4",1053,"cyclohexane,Custom_52,Custom_4",1,1,0.33,0.569,0,1,0.58,0.719,1,1,0.326,0.545,0,1,0.882,0.901,0,1,0.401,0.7,0,1,0.371,0.641,0,1,4,5,5136,[2900:9100],1,0.628,0.601,1,0.375,2,0,0,1,0,5,0,-1,226.358,0,478.435,416.663,61.772,0,0,836.413,1,2,0,0.0041803,0.8973376,24.109,6.818,9.908,3.622,3.752,-3.439,-2.934,-1.386,651.201,-0.249,395.764,-2.178,0,0,0,0.134,3,100,0,0,36.055,2,0,0,6,0,6,6,16,0.54736913008697,0.02,[0.01:0.03],1,0.35,0.755,1.6,[0.01:23.65],1,0.262,0.356,-4.72,[-4.97:-4.47],1,0.265,0.574,-10.82,[-10.97:-10.64],1,0.324,0.672,1.81,[1.54:2.08],1,0.422,0.655,0.64,[0.52:0.76],0,0.359,0.698,1,1,0.497838482901666,0.555206298089437,-0.17,[-0.36:0.02],1,0.377,0.635,2.36,[2.12:2.6],1,0.489,0.69,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,5,2,1,1,37.3,59.1931,0.501,1.574918909,0.917826007,3.7106250150608,1.926491984,0.924638525
O=C(O)C(C)(C)C[C@@H]([C@@H]1C(C)C)CCCC1,"cyclohexane,Custom_52,Custom_5",1054,"cyclohexane,Custom_52,Custom_5",1,1,0.342,0.57,0,1,0.515,0.663,1,1,0.383,0.58,0,1,0.459,0.694,0,1,0.39,0.685,0,1,0.705,0.812,0,1,4,5,8841,[5000:16000],1,0.491,0.633,1,0.375,2,0,0,1,0,4,0,-1,226.358,0,458.476,396.704,61.772,0,0,809.977,1,2,0,0.0043623,0.9165657,23.693,6.697,9.938,3.795,3.587,-3.245,-2.934,-1.075,651.201,-0.168,395.764,-2.274,0,0,0,0.108,3,100,0,0,36.055,2,0,0,6,0,6,6,16,0.69104525254352,0.02,[0.01:0.03],1,0.345,0.747,5.47,[0.01:26.36],1,0.257,0.396,-4.72,[-4.97:-4.47],1,0.27,0.577,-10.82,[-10.97:-10.64],1,0.318,0.669,1.81,[1.54:2.08],1,0.44,0.661,0.6,[0.53:0.67],0,0.35,0.727,1,1,0.488925097111542,0.550749605194374,-0.16,[-0.35:0.03],1,0.348,0.622,2.65,[2.17:3.19],1,0.447,0.6,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,4,2,1,1,37.3,60.1988,0.462,1.574918909,0.917826007,3.94650139056959,1.926491984,0.924638525
O=C(O)C(C)(C)C[C@H]1[C@H](CCCC)CCCC1,"cyclohexane,Custom_52,Custom_6",1055,"cyclohexane,Custom_52,Custom_6",1,1,0.273,0.532,0,1,0.511,0.659,1,1,0.405,0.523,0,1,0.84,0.876,0,1,0.404,0.693,0,1,0.414,0.667,0,1,4,5,5730,[3200:10000],1,0.554,0.605,1,0.35294118,2,0,0,1,0,6,0,-1,240.385,0,510.031,448.259,61.772,0,0,894.812,1,2,0,0.0039213,0.8804872,25.804,7.282,10.383,3.478,4.121,-3.849,-3.219,-1.658,651.201,-0.329,395.764,-2.082,0,0,0,0.25,3,100,0,0,36.055,2,0,0,6,0,6,6,17,0.28206384746541,0.02,[0.01:0.03],1,0.346,0.75,5.52,[0.01:26.12],1,0.253,0.397,-4.73,[-4.98:-4.48],1,0.256,0.571,-10.74,[-10.92:-10.54],1,0.312,0.662,1.81,[1.54:2.08],1,0.452,0.665,0.84,[0.6:1.16],0,0.341,0.59,1,1,0.485988533045439,0.549281323161323,0.29,[-0.23:0.99],1,0.38,0.454,2.66,[2.17:3.21],1,0.458,0.551,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,6,2,1,1,37.3,62.1047,0.501,1.609198985,0.912841894,3.75815462196739,1.951544529,0.929619454
C1CCC[C@@H](CC(C)(C)C(=O)O)[C@@H]1[C@@H](C)CC,"cyclohexane,Custom_52,Custom_7",1056,"cyclohexane,Custom_52,Custom_7",1,1,0.312,0.559,0,1,0.471,0.638,1,1,0.409,0.523,0,1,0.538,0.721,0,1,0.401,0.641,0,1,0.381,0.659,0,1,3,5,2699,[1500:4800],1,0.54,0.603,1,0.35294118,2,0,0,1,0,5,0,-1,240.385,0,480.125,418.353,61.772,0,0,859.194,1,2,0,0.0041656,0.9103422,25.02,7.122,10.376,3.626,3.9,-3.469,-3.219,-1.175,651.201,-0.235,395.764,-2.178,0,0,0,0.2,3,100,0,0,36.055,2,0,0,6,0,6,6,17,0.541795604241802,0.02,[0.01:0.03],1,0.348,0.745,5.72,[0.01:26.22],1,0.248,0.398,-4.73,[-4.98:-4.48],1,0.259,0.573,-10.74,[-10.92:-10.54],1,0.304,0.659,1.81,[1.54:2.08],1,0.461,0.669,0.77,[0.48:1.12],0,0.341,0.581,1,1,0.470077154909257,0.541325634093232,0.26,[-0.23:0.75],1,0.346,0.525,2.96,[2.34:3.58],1,0.448,0.526,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,5,2,1,1,37.3,63.2766,0.462,1.609198985,0.912841894,3.43120288455652,1.951544529,0.929619454
O=C(O)C(C)(C)C[C@H]1[C@H](CC(C)C)CCCC1,"cyclohexane,Custom_52,Custom_8",1057,"cyclohexane,Custom_52,Custom_8",0,1,0.308,0.618,0,1,0.551,0.678,1,1,0.392,0.517,0,1,0.836,0.883,0,1,0.407,0.694,0,1,0.718,0.816,0,1,3,5,2700,[1500:4800],1,0.547,0.608,1,0.35294118,2,0,0,1,0,5,0,-1,240.385,0,494.368,432.596,61.772,0,0,877.494,1,2,0,0.0040456,0.8966251,25.753,7.208,10.541,3.661,4.014,-3.727,-3.219,-1.397,651.201,-0.25,395.764,-2.178,0,0,0,0.248,3,100,0,0,36.055,2,0,0,6,0,6,6,17,0.299176740554962,0.02,[0.01:0.03],1,0.332,0.739,5.66,[0.01:26.23],1,0.25,0.398,-4.73,[-4.99:-4.47],1,0.265,0.572,-10.74,[-10.92:-10.54],1,0.304,0.659,1.81,[1.54:2.08],1,0.51,0.685,0.76,[0.48:1.11],0,0.349,0.585,1,1,0.479835837256531,0.546204975266869,-0.1,[-0.33:0.13],1,0.372,0.609,2.66,[2.17:3.22],1,0.447,0.544,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,5,2,1,1,37.3,65.0642,0.462,1.609198985,0.912841894,3.43136376415899,1.951544529,0.929619454
O=C(O)C(C)(C)C[C@@H]([C@@H]1C(C)(C)C)CCCC1,"cyclohexane,Custom_52,Custom_9",1058,"cyclohexane,Custom_52,Custom_9",0,1,0.339,0.524,1,1,0.807,0.747,1,1,0.456,0.67,0,1,0.433,0.677,0,1,0.387,0.679,0,1,0.367,0.636,0,1,4,5,8964,[5000:16000],1,0.613,0.741,1,0.35294118,1,0,0,0,0,0,4,1,240.385,0,534.66,508.188,26.472,0,0,873.446,1,3,0,0.005611,0.826503,28.801,6.575,11.082,5.606,3.298,-4.937,-2.469,-4.339,5557.275,0.305,3158.33,-2.007,0,0,0,0.41,3,100,0,0,13.857,2,0,0,16,9,6,12,17,0.0272915603086126,0.02,[0.01:0.03],1,0.331,0.734,18.41,[10.12:36.84],1,0.24,0.521,-4.69,[-4.93:-4.45],1,0.266,0.579,-10.81,[-10.96:-10.63],1,0.295,0.65,1.82,[1.55:2.09],1,0.524,0.691,0.77,[0.48:1.13],0,0.336,0.578,1,1,0.449218461797939,0.506363394347115,0.26,[-0.23:0.75],1,0.331,0.52,2.99,[2.36:3.62],1,0.425,0.516,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,4,2,1,1,37.3,65.8279,0.422,1.609198985,0.912841894,3.95250184786302,1.951544529,0.929619454
O=C(O)C(C)(C)C[C@H]1[C@@H](CCCC1)CCCCC,"cyclohexane,Custom_52,Custom_10",1059,"cyclohexane,Custom_52,Custom_10",1,1,0.301,0.552,0,1,0.506,0.655,1,1,0.351,0.49,0,1,0.877,0.908,0,1,0.415,0.639,0,1,0.384,0.645,0,1,3,5,3318,[1900:5900],1,0.528,0.616,1,0.33333333,2,0,0,1,0,7,0,-1,254.412,0,541.629,479.857,61.772,0,0,953.214,1,2,0,0.0036926,0.8648152,27.499,7.77,10.858,3.333,4.492,-4.262,-3.506,-1.912,651.201,-0.409,395.764,-1.986,0,0,0,0.367,3,100,0,0,36.055,2,0,0,6,0,6,6,18,0.143835385270538,0.02,[0:0.04],1,0.352,0.758,19.73,[10.12:39.32],1,0.246,0.508,-4.74,[-4.99:-4.49],1,0.244,0.567,-10.74,[-10.92:-10.54],1,0.3,0.657,1.81,[1.54:2.08],1,0.457,0.669,0.85,[0.6:1.18],0,0.332,0.586,1,1,0.482131253474982,0.547352683376094,0.14,[-0.19:0.47],1,0.382,0.575,3.12,[2.33:3.91],1,0.399,0.511,254.2245802,48,18,16,2,0,0,1,0,0.9375,7,2,1,1,37.3,65.0163,0.501,1.65465485,0.920814116,3.52087638168834,1.974165103,0.935447087
C1CCC[C@@H](CC(C)(C)C(=O)O)[C@@H]1[C@@H](C)CCC,"cyclohexane,Custom_52,Custom_11",1060,"cyclohexane,Custom_52,Custom_11",1,1,0.307,0.556,0,1,0.466,0.635,1,1,0.355,0.515,0,1,0.494,0.704,0,1,0.406,0.627,0,1,0.387,0.661,0,1,4,5,5650,[3200:10000],1,0.445,0.581,1,0.33333333,2,0,0,1,0,6,0,-1,254.412,0,508.539,446.767,61.772,0,0,916.213,1,2,0,0.0039328,0.8970957,26.66,7.578,10.873,3.474,4.261,-3.822,-3.506,-1.39,651.201,-0.31,395.764,-2.082,0,0,0,0.313,3,100,0,0,36.055,2,0,0,6,0,6,6,18,0.317763451426459,0.02,[0.01:0.03],1,0.346,0.744,19.66,[10.12:39.19],1,0.241,0.506,-4.74,[-4.99:-4.49],1,0.249,0.569,-10.81,[-10.96:-10.63],1,0.292,0.649,1.81,[1.54:2.08],1,0.529,0.694,0.78,[0.48:1.14],0,0.327,0.574,1,1,0.456673699710442,0.534623906493824,0.61,[-0.04:1.29],1,0.366,0.452,3.32,[2.52:4.12],1,0.412,0.472,254.2245802,48,18,16,2,0,0,1,0,0.9375,6,2,1,1,37.3,67.7284,0.462,1.65465485,0.920814116,3.75204844781944,1.974165103,0.935447087
O=C(O)C(C)(C)C[C@H]1[C@H](C[C@@H](C)CC)CCCC1,"cyclohexane,Custom_52,Custom_12",1061,"cyclohexane,Custom_52,Custom_12",0,1,0.26,0.559,0,1,0.466,0.635,0,1,0.343,0.515,0,1,0.875,0.904,0,1,0.413,0.635,0,1,0.718,0.815,0,1,3,5,3201,[1800:5700],1,0.538,0.594,1,0.33333333,2,0,0,1,0,6,0,-1,254.412,0,517.858,456.085,61.772,0,0,927.231,1,2,0,0.0038621,0.8880006,27.101,7.632,10.96,3.497,4.33,-3.991,-3.506,-1.537,651.201,-0.32,395.764,-2.082,0,0,0,0.342,3,100,0,0,36.055,2,0,0,6,0,6,6,18,0.215072659552822,0.02,[0.01:0.03],1,0.342,0.742,19.73,[10.12:39.3],1,0.242,0.506,-4.74,[-4.99:-4.49],1,0.249,0.568,-10.81,[-10.96:-10.63],1,0.292,0.649,1.81,[1.54:2.08],1,0.509,0.687,0.77,[0.48:1.13],0,0.335,0.578,1,1,0.473512749718811,0.543043431498009,0.5,[-0.04:1.17],1,0.376,0.455,3.04,[2.34:3.74],1,0.407,0.49,254.2245802,48,18,16,2,0,0,1,0,0.9375,6,2,1,1,37.3,68.142,0.462,1.65465485,0.920814116,3.50528567414413,1.974165103,0.935447087
O=C(O)C(C)(C)C[C@H]1[C@H](CCC(C)C)CCCC1,"cyclohexane,Custom_52,Custom_13",1062,"cyclohexane,Custom_52,Custom_13",0,1,0.266,0.566,0,1,0.506,0.655,0,1,0.352,0.514,0,1,0.836,0.881,0,1,0.45,0.657,0,1,0.722,0.819,0,1,3,5,3202,[1800:5700],1,0.529,0.594,1,0.33333333,2,0,0,1,0,6,0,-1,254.412,0,527.353,465.581,61.772,0,0,938.258,1,2,0,0.0037925,0.8789119,27.542,7.691,11.045,3.519,4.399,-4.164,-3.506,-1.684,651.201,-0.331,395.764,-2.082,0,0,0,0.371,3,100,0,0,36.055,2,0,0,6,0,6,6,18,0.144410774960644,0.02,[0.01:0.03],1,0.32,0.735,19.75,[10.12:39.33],1,0.243,0.507,-4.73,[-4.98:-4.48],1,0.251,0.568,-10.81,[-10.96:-10.63],1,0.292,0.649,1.82,[1.56:2.08],1,0.607,0.723,0.85,[0.6:1.18],0,0.329,0.584,1,1,0.479051111581037,0.545812612429122,0.49,[-0.22:1.2],1,0.383,0.446,3.03,[2.33:3.73],1,0.405,0.49,254.2245802,48,18,16,2,0,0,1,0,0.9375,6,2,1,1,37.3,69.1024,0.462,1.65465485,0.920814116,3.50542132758328,1.974165103,0.935447087
C1CCC[C@@H](CC(C)(C)C(=O)O)[C@@H]1[C@@H](C)C(C)C,"cyclohexane,Custom_52,Custom_14",1063,"cyclohexane,Custom_52,Custom_14",1,1,0.599,0.702,0,1,0.466,0.635,1,1,0.356,0.49,0,1,0.568,0.742,0,1,0.414,0.629,0,1,0.386,0.629,0,1,4,5,5249,[3000:9300],1,0.44,0.579,1,0.33333333,2,0,0,1,0,5,0,-1,254.412,0,487.336,422.573,64.763,0,0,898.359,1,2,0,0.0041039,0.9239243,26.588,7.599,11.158,3.664,4.132,-3.6,-3.506,-0.955,610.029,-0.244,368.789,-2.233,0,0,0,0.311,3,100,0,0,39.381,2,0,0,6,0,6,6,18,0.373985574479664,0.02,[0.01:0.03],1,0.342,0.74,18.27,[10.12:36.46],1,0.236,0.522,-4.73,[-4.98:-4.48],1,0.252,0.57,-10.81,[-10.96:-10.63],1,0.288,0.647,1.82,[1.56:2.08],1,0.578,0.712,0.77,[0.48:1.13],0,0.335,0.577,1,1,0.448075274645054,0.53032469396113,0.59,[-0.04:1.27],1,0.349,0.447,3.25,[2.53:3.97],1,0.411,0.492,254.2245802,48,18,16,2,0,0,1,0,0.9375,5,2,1,1,37.3,68.7341,0.423,1.65465485,0.920814116,3.72007657276814,1.974165103,0.935447087
O=C(O)C(C)(C)C[C@H]1[C@H](CC(C)(C)C)CCCC1,"cyclohexane,Custom_52,Custom_15",1064,"cyclohexane,Custom_52,Custom_15",1,0,0.193,0.466,1,1,0.73,0.708,1,1,0.341,0.588,1,1,0.522,0.665,0,1,0.407,0.634,1,1,0.417,0.61,0,1,4,5,5844,[3300:10000],1,0.511,0.585,1,0.33333333,2,0,0,1,0,5,0,-1,254.412,0,508.293,446.521,61.772,0,0,913.126,1,2,0,0.0039347,0.8955116,27.179,7.54,11.089,3.694,4.241,-3.98,-3.506,-1.415,651.201,-0.251,395.764,-2.178,0,0,0,0.346,3,100,0,0,36.055,2,0,0,6,0,6,6,18,0.176909618895474,0.02,[0.01:0.03],1,0.309,0.73,19.76,[10.12:39.25],1,0.236,0.505,-4.79,[-5.13:-4.45],1,0.258,0.513,-10.81,[-10.96:-10.63],1,0.283,0.645,1.83,[1.57:2.09],1,0.6,0.721,0.77,[0.48:1.12],0,0.342,0.581,1,1,0.472027493371847,0.542300803324527,0.12,[-0.2:0.44],1,0.374,0.576,3.04,[2.34:3.74],1,0.401,0.487,254.2245802,48,18,16,2,0,0,1,0,0.9375,5,2,1,1,37.3,69.8124,0.422,1.65465485,0.920814116,3.76671020726226,1.974165103,0.935447087
C1CCC[C@@H](CC(C)(C)C(=O)O)[C@@H]1C(C)(C)CC,"cyclohexane,Custom_52,Custom_16",1065,"cyclohexane,Custom_52,Custom_16",0,1,0.317,0.528,1,1,0.73,0.708,1,1,0.378,0.63,0,1,0.782,0.822,0,1,0.402,0.613,0,1,0.372,0.653,0,1,4,5,5844,[3300:10000],1,0.45,0.584,1,0.33333333,3,0,0,1,0,5,0,-1,254.412,0,457.878,400.185,57.693,0,0,866.121,1,2,0,0.004368,0.9596971,25.298,7.518,10.822,3.545,3.982,-3.068,-3.506,-0.377,711.86,-0.155,435.756,-2.103,0,0,0,0.229,3,100,0,0,35.159,2,0,0,6,0,6,6,18,1.71785140235595,0.02,[0.01:0.03],1,0.332,0.736,18.24,[10.12:36.3],1,0.231,0.521,-4.73,[-4.98:-4.48],1,0.25,0.57,-10.81,[-10.96:-10.63],1,0.283,0.645,1.83,[1.57:2.09],1,0.615,0.726,0.78,[0.48:1.14],0,0.329,0.574,1,1,0.419641362047024,0.491574844471658,0.59,[-0.04:1.27],1,0.325,0.44,3.6,[2.99:4.14],1,0.41,0.52,254.2245802,48,18,16,2,0,0,1,0,0.9375,5,2,1,1,37.3,70.6763,0.422,1.65465485,0.920814116,3.76671020726226,1.974165103,0.935447087
O=C(O)C(C)(C)C[C@H]1[C@@H](CCCC1)CCCCCC,"cyclohexane,Custom_52,Custom_17",1066,"cyclohexane,Custom_52,Custom_17",0,1,0.294,0.583,0,1,0.502,0.652,1,1,0.335,0.486,0,1,0.799,0.889,0,1,0.422,0.649,0,1,0.388,0.648,0,1,4,5,6448,[3600:11000],1,0.505,0.703,1,0.31578947,2,0,0,1,0,8,0,-1,268.439,0,573.224,511.452,61.772,0,0,1011.614,1,2,0,0.003489,0.8501915,29.194,8.279,11.334,3.189,4.864,-4.677,-3.794,-2.149,651.201,-0.488,395.764,-1.89,0,0,0,0.485,3,100,0,0,36.055,2,0,0,6,0,6,6,19,0.0727105501177512,0.02,[0:0.04],1,0.362,0.757,19.71,[10.12:39.05],1,0.24,0.507,-4.85,[-5.18:-4.52],1,0.231,0.507,-10.81,[-10.96:-10.63],1,0.289,0.648,1.81,[1.55:2.07],1,0.435,0.67,0.85,[0.6:1.18],0,0.327,0.584,1,1,0.472870176052957,0.542722144665082,0.42,[0.04:0.84],1,0.389,0.55,3.46,[2.6:4.2],1,0.378,0.402,268.240230264,51,19,17,2,0,0,1,0,0.941176470588235,8,2,1,1,37.3,67.9279,0.501,1.624709484,0.918686155,3.80942502879703,1.949404529,0.934024125
C1CCC[C@@H](CC(C)(C)C(=O)O)[C@@H]1[C@@H](C)CCCC,"cyclohexane,Custom_52,Custom_18",1067,"cyclohexane,Custom_52,Custom_18",1,1,0.294,0.575,0,1,0.503,0.652,1,1,0.291,0.525,0,1,0.533,0.733,0,1,0.416,0.592,0,1,0.391,0.63,0,1,3,5,3316,[1900:5900],1,0.446,0.597,1,0.31578947,2,0,0,1,0,7,0,-1,268.439,0,540.136,478.364,61.772,0,0,974.613,1,2,0,0.0037028,0.8801374,28.355,8.04,11.348,3.33,4.632,-4.234,-3.794,-1.664,651.201,-0.39,395.764,-1.986,0,0,0,0.43,3,100,0,0,36.055,2,0,0,6,0,6,6,19,0.16160558066843,0.02,[0.01:0.03],1,0.346,0.748,19.63,[10.12:38.91],1,0.235,0.506,-4.84,[-5.17:-4.51],1,0.237,0.508,-10.75,[-10.96:-10.54],1,0.28,0.636,1.82,[1.56:2.08],1,0.512,0.69,0.78,[0.48:1.14],0,0.32,0.57,1,1,0.44946009763141,0.570221551628231,0.63,[0.04:1.27],1,0.38,0.469,3.18,[2.33:4.03],1,0.375,0.432,268.240230264,51,19,17,2,0,0,1,0,0.941176470588235,7,2,1,1,37.3,70.64,0.462,1.624709484,0.918686155,3.52061452187824,1.949404529,0.934024125
O=C(O)C(C)(C)C[C@H]1[C@@H](CCCC1)C[C@@H](C)CCC,"cyclohexane,Custom_52,Custom_19",1068,"cyclohexane,Custom_52,Custom_19",0,1,0.253,0.558,0,1,0.503,0.652,0,1,0.329,0.523,0,1,0.574,0.748,0,1,0.422,0.606,0,1,0.391,0.613,0,1,3,5,3317,[1900:5900],1,0.446,0.597,1,0.31578947,2,0,0,1,0,7,0,-1,268.439,0,549.454,487.682,61.772,0,0,985.63,1,2,0,0.00364,0.8717194,28.796,8.108,11.436,3.352,4.701,-4.405,-3.794,-1.8,651.201,-0.4,395.764,-1.986,0,0,0,0.459,3,100,0,0,36.055,2,0,0,6,0,6,6,19,0.109183118130964,0.02,[0.01:0.03],1,0.336,0.744,19.7,[10.12:39.02],1,0.236,0.506,-4.84,[-5.17:-4.51],1,0.238,0.508,-10.75,[-10.96:-10.54],1,0.28,0.636,1.82,[1.56:2.08],1,0.553,0.706,0.78,[0.48:1.14],0,0.328,0.574,1,1,0.464152556054887,0.538363334666047,0.68,[0.04:1.33],1,0.386,0.463,3.17,[2.32:4.02],1,0.371,0.43,268.240230264,51,19,17,2,0,0,1,0,0.941176470588235,7,2,1,1,37.3,72.5938,0.462,1.624709484,0.918686155,3.52074547151948,1.949404529,0.934024125
O=C(O)C(C)(C)C[C@H]1[C@@H](CCCC1)CC[C@H](C)CC,"cyclohexane,Custom_52,Custom_20",1069,"cyclohexane,Custom_52,Custom_20",1,1,0.297,0.556,0,1,0.503,0.652,1,1,0.334,0.522,0,1,0.457,0.718,0,1,0.418,0.632,0,1,0.722,0.823,0,1,3,5,3317,[1900:5900],1,0.54,0.622,1,0.31578947,2,0,0,1,0,7,0,-1,268.439,0,552.227,490.454,61.772,0,0,987.868,1,2,0,0.0036217,0.8686544,28.886,8.116,11.439,3.359,4.715,-4.456,-3.794,-1.85,651.201,-0.404,395.764,-1.986,0,0,0,0.465,3,100,0,0,36.055,2,0,0,6,0,6,6,19,0.097148687448946,0.02,[0.01:0.03],1,0.33,0.742,19.74,[10.12:39.08],1,0.236,0.506,-4.74,[-4.99:-4.49],1,0.234,0.564,-10.75,[-10.96:-10.54],1,0.28,0.636,1.82,[1.56:2.08],1,0.577,0.715,0.85,[0.6:1.18],0,0.322,0.581,1,1,0.471690738613085,0.542132425945146,0.72,[0.07:1.37],1,0.388,0.462,3.16,[2.31:4.01],1,0.371,0.429,268.240230264,51,19,17,2,0,0,1,0,0.941176470588235,7,2,1,1,37.3,72.1802,0.462,1.624709484,0.918686155,3.52074547151948,1.949404529,0.934024125
O=C(O)C(C)(C)C[C@H]1[C@@H](CCCC1)CCCC(C)C,"cyclohexane,Custom_52,Custom_21",1070,"cyclohexane,Custom_52,Custom_21",0,1,0.214,0.54,0,1,0.463,0.632,0,1,0.333,0.519,0,1,0.498,0.732,0,1,0.427,0.644,0,1,0.391,0.642,0,1,3,5,3317,[1900:5900],1,0.514,0.614,1,0.31578947,2,0,0,1,0,7,0,-1,268.439,0,560.853,499.081,61.772,0,0,997.273,1,2,0,0.003566,0.8607144,29.262,8.176,11.503,3.38,4.774,-4.613,-3.794,-1.978,651.201,-0.414,395.764,-1.986,0,0,0,0.49,3,100,0,0,36.055,2,0,0,6,0,6,6,19,0.0675366884738363,0.02,[0.01:0.03],1,0.318,0.735,19.74,[10.12:39.07],1,0.237,0.506,-4.84,[-5.17:-4.51],1,0.237,0.508,-10.75,[-10.96:-10.54],1,0.28,0.636,1.83,[1.58:2.08],1,0.624,0.734,0.85,[0.6:1.18],0,0.325,0.582,1,1,0.474744442604106,0.543659277940656,0.7,[0.05:1.35],1,0.389,0.465,3.46,[2.65:4.14],1,0.367,0.427,268.240230264,51,19,17,2,0,0,1,0,0.941176470588235,7,2,1,1,37.3,72.014,0.462,1.624709484,0.918686155,3.52074547151948,1.949404529,0.934024125
C1CCC[C@@H](CC(C)(C)C(=O)O)[C@@H]1[C@@H](C)[C@@H](C)CC,"cyclohexane,Custom_52,Custom_22",1071,"cyclohexane,Custom_52,Custom_22",1,1,0.629,0.738,0,1,0.543,0.672,1,1,0.337,0.514,0,1,0.527,0.694,0,1,0.42,0.59,0,1,0.391,0.629,0,1,3,5,2965,[1700:5300],1,0.483,0.582,1,0.31578947,2,0,0,1,0,6,0,-1,268.439,0,520.002,458.23,61.772,0,0,941.4,1,2,0,0.0038461,0.8933245,27.668,7.793,11.233,3.502,4.422,-4.03,-3.794,-1.451,651.201,-0.314,395.764,-2.082,0,0,0,0.382,3,100,0,0,36.055,2,0,0,6,0,6,6,19,0.207415347597059,0.02,[0.01:0.03],1,0.35,0.745,23.24,[10.5:41.15],1,0.229,0.517,-4.74,[-4.99:-4.49],1,0.237,0.565,-10.75,[-10.96:-10.54],0,0.276,0.635,1.82,[1.56:2.08],1,0.535,0.699,0.78,[0.48:1.14],0,0.323,0.572,1,1,0.429571753670072,0.521072933473639,0.64,[0.04:1.29],1,0.351,0.458,3.44,[2.74:4.14],1,0.379,0.487,268.240230264,51,19,17,2,0,0,1,0,0.941176470588235,6,2,1,1,37.3,71.8119,0.423,1.624709484,0.918686155,3.47202469770028,1.949404529,0.934024125
O=C(O)C(C)(C)C[C@H]1[C@H](C[C@@H](C)C(C)C)CCCC1,"cyclohexane,Custom_52,Custom_23",1072,"cyclohexane,Custom_52,Custom_23",1,1,0.335,0.603,0,1,0.503,0.652,1,1,0.332,0.513,0,1,0.533,0.712,0,1,0.455,0.655,0,1,0.719,0.823,0,1,3,5,2966,[1700:5300],1,0.492,0.593,1,0.31578947,2,0,0,1,0,6,0,-1,268.439,0,528.644,466.872,61.772,0,0,959.689,1,2,0,0.0037833,0.8900659,28.4,7.947,11.49,3.523,4.538,-4.188,-3.794,-1.503,651.201,-0.318,395.764,-2.082,0,0,0,0.432,3,100,0,0,36.055,2,0,0,6,0,6,6,19,0.144333301147,0.02,[0.01:0.03],1,0.329,0.738,19.76,[10.12:39.09],1,0.231,0.504,-4.74,[-4.99:-4.49],1,0.238,0.565,-10.75,[-10.96:-10.54],0,0.276,0.635,1.83,[1.58:2.08],1,0.629,0.736,0.78,[0.48:1.14],0,0.326,0.573,1,1,0.460899702214323,0.536736907745765,0.7,[0.04:1.36],1,0.38,0.459,3.49,[2.81:4.14],1,0.373,0.486,268.240230264,51,19,17,2,0,0,1,0,0.941176470588235,6,2,1,1,37.3,73.5995,0.423,1.624709484,0.918686155,3.47217114669236,1.949404529,0.934024125
C1CCC[C@@H](CC(C)(C)C(=O)O)[C@@H]1C(C)(C)CCC,"cyclohexane,Custom_52,Custom_24",1073,"cyclohexane,Custom_52,Custom_24",0,1,0.185,0.535,1,1,0.732,0.71,1,1,0.339,0.587,0,1,0.448,0.69,0,1,0.405,0.589,0,1,0.369,0.61,0,1,3,5,3658,[2100:6500],1,0.476,0.575,1,0.31578947,2,0,0,1,0,6,0,-1,268.439,0,496.736,439.251,57.485,0,0,922.79,1,2,0,0.0040263,0.9228008,26.923,7.763,11.138,3.417,4.338,-3.607,-3.794,-0.974,715.1,-0.248,437.901,-2.003,0,0,0,0.336,3,100,0,0,35.159,2,0,0,6,0,6,6,19,0.658771626635332,0.02,[0.01:0.03],1,0.33,0.739,23.14,[10.5:40.98],1,0.225,0.516,-4.84,[-5.18:-4.5],1,0.242,0.508,-10.76,[-10.96:-10.55],0,0.271,0.633,1.83,[1.59:2.07],1,0.648,0.745,0.78,[0.48:1.14],0,0.317,0.568,1,1,0.413027723871786,0.488268025384039,0.63,[0.04:1.27],1,0.341,0.455,3.44,[2.74:4.14],1,0.38,0.487,268.240230264,51,19,17,2,0,0,1,0,0.941176470588235,6,2,1,1,37.3,74.0015,0.422,1.624709484,0.918686155,3.5632437011404,1.949404529,0.934024125
O=C(O)C(C)(C)C[C@H]1[C@H](CC(C)(C)CC)CCCC1,"cyclohexane,Custom_52,Custom_25",1074,"cyclohexane,Custom_52,Custom_25",0,1,0.188,0.537,1,1,0.732,0.71,1,1,0.321,0.55,0,1,0.828,0.876,0,1,0.417,0.592,0,1,0.722,0.757,0,1,3,5,3658,[2100:6500],1,0.475,0.575,1,0.31578947,2,0,0,1,0,6,0,-1,268.439,0,517.712,455.94,61.772,0,0,944.9,1,2,0,0.0038632,0.8994986,27.808,7.859,11.347,3.496,4.445,-3.988,-3.794,-1.351,651.201,-0.307,395.764,-2.082,0,0,0,0.393,3,100,0,0,36.055,2,0,0,6,0,6,6,19,0.228317992345326,0.02,[0.01:0.03],1,0.312,0.733,23.39,[10.5:41.28],1,0.227,0.517,-4.82,[-5.16:-4.48],1,0.241,0.506,-10.76,[-10.96:-10.55],0,0.271,0.633,1.84,[1.6:2.08],1,0.672,0.755,0.78,[0.48:1.14],0,0.33,0.575,1,1,0.457582916583408,0.535078514930307,0.67,[0.04:1.32],1,0.378,0.459,3.36,[2.56:4.14],1,0.371,0.454,268.240230264,51,19,17,2,0,0,1,0,0.941176470588235,6,2,1,1,37.3,74.6608,0.422,1.624709484,0.918686155,3.5632437011404,1.949404529,0.934024125
O=C(O)C(C)(C)C[C@H]1[C@H](CCC(C)(C)C)CCCC1,"cyclohexane,Custom_52,Custom_26",1075,"cyclohexane,Custom_52,Custom_26",1,0,0.194,0.49,1,1,0.772,0.73,1,1,0.327,0.556,0,1,0.575,0.75,0,1,0.753,0.814,0,1,0.73,0.805,0,1,3,5,3659,[2100:6500],1,0.479,0.576,1,0.31578947,2,0,0,1,0,6,0,-1,268.439,0,543.688,481.916,61.772,0,0,981.568,1,2,0,0.0036786,0.8785422,29.276,8.098,11.72,3.559,4.676,-4.462,-3.794,-1.69,651.201,-0.332,395.764,-2.082,0,0,0,0.491,3,100,0,0,36.055,2,0,0,6,0,6,6,19,0.0766927758500995,0.02,[0.01:0.03],1,0.297,0.725,23.43,[10.5:41.36],1,0.229,0.517,-4.84,[-5.18:-4.5],1,0.242,0.508,-10.76,[-10.96:-10.55],0,0.271,0.633,1.84,[1.6:2.08],1,0.649,0.745,0.85,[0.6:1.18],0,0.32,0.58,1,1,0.473289237763393,0.5429316755203,0.74,[0.09:1.39],1,0.392,0.464,3.48,[2.8:4.14],1,0.366,0.483,268.240230264,51,19,17,2,0,0,1,0,0.941176470588235,6,2,1,1,37.3,74.375,0.422,1.624709484,0.918686155,3.56336240948661,1.949404529,0.934024125
O=C(O)[C@@H](C)[C@@H](C)[C@H]1[C@H](C)CCCC1,"cyclohexane,Custom_53,Custom_1",1076,"cyclohexane,Custom_53,Custom_1",0,1,0.304,0.618,0,1,0.596,0.733,0,1,0.77,0.813,0,1,0.447,0.703,0,1,0.374,0.681,0,1,0.343,0.662,0,1,4,5,8853,[5000:16000],1,0.536,0.49,1,0.42857143,0,0,0,1,0,3,0,-1,198.305,0,432.851,345.776,87.075,0,0,740.086,1,2,0,0.0046205,0.9141441,21.538,6.175,9.528,4.126,2.968,-2.922,-2.369,-1.114,374.772,-0.312,217.812,-2.836,0,0,1,-0.041,3,90.387,0,0,45.659,2,0,0,6,0,6,6,14,0.328603947851456,0.04,[0.01:0.07],1,0.373,0.747,1.07,[0.01:23.24],1,0.309,0.367,-4.61,[-4.77:-4.45],1,0.297,0.632,-10.88,[-11.02:-10.74],1,0.42,0.729,0.49,[0.35:0.63],1,0.364,0.697,0.55,[0.49:0.6],0,0.378,0.746,1,1,0.49763677333269,0.555105443304948,-0.32,[-0.65:0.01],1,0.324,0.584,2.01,[1.68:2.34],1,0.551,0.657,198.161979944,36,14,12,2,0,0,1,0,0.916666666666667,3,2,1,0,37.3,51.1736,0.502,1.574918909,0.917826007,3.94709046421962,1.926491984,0.924638525
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CC[C@@](C)(C(=O)O)[C@H]1[C@H](CCC(C)C)CCCC1,"cyclohexane,Custom_54,Custom_13",1112,"cyclohexane,Custom_54,Custom_13",1,1,0.297,0.545,0,1,0.546,0.675,1,1,0.348,0.513,0,1,0.785,0.819,0,1,0.423,0.7,0,1,0.773,0.854,0,1,4,5,5310,[3000:9400],1,0.447,0.572,1,0.33333333,2,0,0,1,0,6,0,-1,254.412,0,501.196,458.151,43.045,0,0,918.293,1,2,0,0.0039905,0.9116157,26.744,7.55,10.732,3.329,4.407,-3.688,-3.506,-1.155,980.174,-0.143,615.726,-1.737,0,0,0,0.321,3,100,0,0,32.546,2,0,0,6,0,6,6,18,0.956370874800133,0.02,[0.01:0.03],1,0.344,0.743,4.77,[0.01:24.93],1,0.242,0.402,-4.7,[-4.94:-4.46],1,0.242,0.573,-10.81,[-10.96:-10.63],1,0.294,0.649,1.82,[1.56:2.08],1,0.581,0.713,0.75,[0.35:1.15],0,0.362,0.565,1,1,0.419283079001928,0.515928596139567,0.79,[0.12:1.46],1,0.368,0.449,3.25,[2.53:3.97],1,0.401,0.488,254.2245802,48,18,16,2,0,0,1,0,0.9375,6,2,1,1,37.3,69.9663,0.462,1.65465485,0.920814116,3.72509452108147,1.974165103,0.935447087
CC[C@@](C)(C(=O)O)[C@H]1[C@H]([C@@H](C)C(C)C)CCCC1,"cyclohexane,Custom_54,Custom_14",1113,"cyclohexane,Custom_54,Custom_14",0,1,0.251,0.546,0,1,0.586,0.695,1,1,0.404,0.519,0,1,0.481,0.665,0,1,0.492,0.725,0,1,0.492,0.713,0,1,4,5,5147,[2900:9200],1,0.462,0.566,1,0.33333333,3,0,0,0,0,3,1,1,254.412,0,506.516,472.818,33.698,0,0,901.579,1,1.5,0,0.0029614,0.8910617,28.001,7.207,10.733,3.448,4.045,-4.436,-3.67,-3.295,4746.197,0.1,2663.175,-1.853,0,0,0,0.65,3,100,0,0,22.137,2,0,0,10,0,10,10,18,0.130834540795267,0.02,[0.01:0.03],1,0.364,0.747,17.19,[10.12:35.69],1,0.237,0.515,-4.7,[-4.94:-4.46],1,0.245,0.574,-10.81,[-10.96:-10.63],1,0.29,0.648,1.81,[1.54:2.08],1,0.543,0.699,0.73,[0.32:1.14],0,0.36,0.557,0,1,0.408505451935059,0.486006889415676,0.72,[0.06:1.38],1,0.317,0.442,3.41,[2.87:3.95],1,0.4,0.537,254.2245802,48,18,16,2,0,0,1,0,0.9375,5,2,1,1,37.3,69.598,0.423,1.65465485,0.920814116,3.71155416825017,1.974165103,0.935447087
CC[C@@](C)(C(=O)O)[C@H]1[C@H](CC(C)(C)C)CCCC1,"cyclohexane,Custom_54,Custom_15",1114,"cyclohexane,Custom_54,Custom_15",1,1,0.235,0.493,1,1,0.81,0.748,1,1,0.364,0.604,0,1,0.441,0.686,0,1,0.41,0.685,0,1,0.371,0.638,0,1,4,5,5141,[2900:9100],1,0.518,0.6,1,0.33333333,2,0,0,0,0,1,7,1,254.412,0,548.145,537.729,10.416,0,0,905.002,1,0.75,0,0.0013683,0.825473,29.422,6.784,9.957,3.092,4.523,-5.784,-3.686,-4.356,7890.876,0.401,4613.56,-1.615,0,0,1,0.877,3,100,0,0,14.262,2,0,1,19,9,10,14,18,0.0101359781149337,0.02,[0.01:0.03],1,0.335,0.737,11.54,[2.52:31.27],1,0.232,0.443,-4.69,[-4.93:-4.45],1,0.253,0.575,-10.75,[-10.96:-10.54],1,0.284,0.638,1.83,[1.57:2.09],1,0.615,0.726,0.75,[0.35:1.15],0,0.353,0.56,0,1,0.406324469598061,0.484916398247176,0.63,[-0.04:1.32],1,0.349,0.444,3.34,[2.71:3.97],1,0.394,0.51,254.2245802,48,18,16,2,0,0,1,0,0.9375,5,2,1,1,37.3,70.6763,0.422,1.65465485,0.920814116,3.71104760386703,1.974165103,0.935447087
CC[C@@](C)(C(=O)O)[C@H]1[C@H](C(C)(C)CC)CCCC1,"cyclohexane,Custom_54,Custom_16",1115,"cyclohexane,Custom_54,Custom_16",0,1,0.616,0.691,1,1,0.73,0.708,1,1,0.379,0.631,1,1,0.472,0.618,0,1,0.784,0.861,1,1,0.726,0.821,0,1,4,5,5141,[2900:9100],1,0.505,0.599,1,0.33333333,2,0,0,1,0,5,0,0,254.412,0,468.573,437.084,31.489,0,0,869.414,1,2,0,0.0042683,0.9401688,25.429,7.213,10.292,3.393,4.18,-3.261,-3.506,-0.693,1261.507,0.025,808.794,-1.62,0,0,0,0.234,3,100,0,0,25.253,2,0,0,6,0,6,6,18,3.35145478315314,0.02,[0.01:0.03],1,0.356,0.744,17.18,[10.12:35.59],1,0.231,0.514,-4.7,[-4.94:-4.46],1,0.245,0.574,-10.75,[-10.96:-10.54],1,0.284,0.638,1.82,[1.56:2.08],1,0.609,0.724,0.75,[0.35:1.15],0,0.367,0.566,1,1,0.404928684444167,0.484218505670229,0.77,[0.11:1.43],0,0.307,0.438,3.41,[2.87:3.95],1,0.396,0.535,254.2245802,48,18,16,2,0,0,1,0,0.9375,5,2,1,1,37.3,71.5402,0.422,1.65465485,0.920814116,3.71104760386703,1.974165103,0.935447087
CC[C@@](C)(C(=O)O)[C@H]1[C@@H](CCCC1)CCCCCC,"cyclohexane,Custom_54,Custom_17",1116,"cyclohexane,Custom_54,Custom_17",0,1,0.337,0.571,0,1,0.582,0.692,1,1,0.341,0.487,0,1,0.786,0.82,0,1,0.423,0.655,0,1,0.396,0.62,0,1,4,5,6731,[3800:12000],1,0.468,0.715,1,0.31578947,2,0,0,1,0,8,0,-1,268.439,0,550.525,507.128,43.396,0,0,996.257,1,2,0,0.0036329,0.8762656,28.579,8.096,11.07,3.009,4.897,-4.262,-3.794,-1.727,972.684,-0.295,610.642,-1.551,0,0,0,0.447,3,100,0,0,32.546,2,0,0,6,0,6,6,19,0.413086305983987,0.02,[0:0.04],1,0.373,0.761,15.55,[10.12:33.92],1,0.234,0.519,-4.74,[-4.99:-4.49],1,0.223,0.563,-10.81,[-10.96:-10.63],1,0.291,0.648,1.81,[1.55:2.07],1,0.405,0.659,0.86,[0.6:1.19],0,0.356,0.59,1,1,0.413289119312097,0.552136062468575,0.75,[0.1:1.4],1,0.366,0.46,3.31,[2.4:4.14],1,0.371,0.402,268.240230264,51,19,17,2,0,0,1,0,0.941176470588235,8,2,1,1,37.3,68.7918,0.501,1.624709484,0.918686155,3.82807959055675,1.949404529,0.934024125
CC[C@@](C)(C(=O)O)[C@H]1[C@@H](CCCC1)[C@@H](C)CCCC,"cyclohexane,Custom_54,Custom_18",1117,"cyclohexane,Custom_54,Custom_18",1,1,0.247,0.488,0,1,0.543,0.672,1,1,0.329,0.517,0,1,0.441,0.693,0,1,0.41,0.586,0,1,0.768,0.852,0,1,3,5,3208,[1800:5700],1,0.499,0.602,1,0.31578947,2,0,0,1,0,7,0,-1,268.439,0,513.528,469.55,43.978,0,0,952.473,1,2,0,0.0038946,0.9116668,27.469,7.871,11.01,3.145,4.619,-3.749,-3.794,-1.154,960.418,-0.211,602.323,-1.658,0,0,0,0.374,3,100,0,0,32.637,2,0,0,6,0,6,6,19,1.05062925142849,0.03,[0.02:0.04],1,0.361,0.751,15.51,[10.12:33.79],1,0.231,0.518,-4.74,[-4.99:-4.49],1,0.23,0.565,-10.75,[-10.96:-10.54],1,0.282,0.637,1.81,[1.54:2.08],1,0.47,0.675,0.75,[0.35:1.15],0,0.355,0.561,1,1,0.400426652249827,0.54570482893744,0.76,[0.1:1.42],1,0.334,0.448,3.43,[2.73:4.13],1,0.376,0.485,268.240230264,51,19,17,2,0,0,1,0,0.941176470588235,7,2,1,1,37.3,71.5039,0.462,1.624709484,0.918686155,3.50623435961213,1.949404529,0.934024125
CC[C@@](C)(C(=O)O)[C@H]1[C@@H](CCCC1)C[C@@H](C)CCC,"cyclohexane,Custom_54,Custom_19",1118,"cyclohexane,Custom_54,Custom_19",0,1,0.294,0.516,0,1,0.543,0.672,0,1,0.335,0.522,0,1,0.445,0.697,0,1,0.419,0.649,0,1,0.398,0.588,0,1,3,5,3210,[1800:5700],1,0.499,0.603,1,0.31578947,2,0,0,1,0,7,0,-1,268.439,0,527.726,493.268,34.458,0,0,974.023,1,2,0,0.0037898,0.9004701,28.332,7.94,11.092,3.114,4.821,-4.008,-3.794,-1.335,1182.321,-0.142,754.06,-1.482,0,0,0,0.432,3,100,0,0,29.355,2,0,0,6,0,6,6,19,0.867582049395761,0.03,[0.02:0.04],1,0.355,0.749,15.53,[10.12:33.87],1,0.232,0.518,-4.74,[-4.99:-4.49],1,0.23,0.565,-10.75,[-10.96:-10.54],1,0.282,0.637,1.82,[1.56:2.08],1,0.507,0.689,0.73,[0.32:1.14],0,0.347,0.551,1,1,0.408364406387933,0.51046925983257,0.71,[0.06:1.36],1,0.349,0.455,3.43,[2.73:4.13],1,0.374,0.485,268.240230264,51,19,17,2,0,0,1,0,0.941176470588235,7,2,1,1,37.3,73.4577,0.462,1.624709484,0.918686155,3.50650503240487,1.949404529,0.934024125
CC[C@@](C)(C(=O)O)[C@H]1[C@@H](CCCC1)CC[C@H](C)CC,"cyclohexane,Custom_54,Custom_20",1119,"cyclohexane,Custom_54,Custom_20",0,1,0.295,0.568,0,1,0.543,0.672,0,1,0.333,0.521,1,1,0.826,0.784,0,1,0.428,0.641,1,1,0.471,0.692,0,1,3,5,3211,[1800:5700],1,0.463,0.6,1,0.31578947,2,0,0,1,0,7,0,-1,268.439,0,526.854,484.903,41.951,0,0,971.855,1,2,0,0.0037961,0.9006219,28.245,7.974,11.181,3.163,4.755,-3.992,-3.794,-1.333,1003.883,-0.203,631.84,-1.621,0,0,0,0.426,3,100,0,0,32.546,2,0,0,6,0,6,6,19,0.654827138398479,0.02,[0.01:0.03],1,0.351,0.746,15.55,[10.12:33.91],1,0.233,0.518,-4.74,[-4.99:-4.49],1,0.226,0.563,-10.75,[-10.96:-10.54],1,0.282,0.637,1.82,[1.56:2.08],1,0.53,0.697,0.75,[0.35:1.15],0,0.353,0.561,1,1,0.409569674901901,0.511071894089554,0.77,[0.11:1.43],1,0.351,0.454,3.43,[2.73:4.13],1,0.371,0.483,268.240230264,51,19,17,2,0,0,1,0,0.941176470588235,7,2,1,1,37.3,73.0441,0.462,1.624709484,0.918686155,3.5066403055665,1.949404529,0.934024125
CC[C@@](C)(C(=O)O)[C@H]1[C@@H](CCCC1)CCCC(C)C,"cyclohexane,Custom_54,Custom_21",1120,"cyclohexane,Custom_54,Custom_21",1,1,0.298,0.545,0,1,0.583,0.692,1,1,0.339,0.518,0,1,0.786,0.793,0,1,0.429,0.659,0,1,0.409,0.658,0,1,3,5,3212,[1800:5700],1,0.458,0.6,1,0.31578947,2,0,0,1,0,7,0,-1,268.439,0,536.934,494.632,42.302,0,0,982.141,1,2,0,0.0037249,0.8899387,28.657,8.018,11.246,3.19,4.817,-4.176,-3.794,-1.505,996.211,-0.214,626.622,-1.627,0,0,0,0.453,3,100,0,0,32.546,2,0,0,6,0,6,6,19,0.422429326855284,0.02,[0.01:0.03],1,0.342,0.743,15.55,[10.12:33.92],1,0.232,0.518,-4.74,[-4.99:-4.49],1,0.228,0.564,-10.75,[-10.96:-10.54],1,0.282,0.637,1.82,[1.56:2.08],1,0.577,0.715,0.75,[0.35:1.15],0,0.353,0.561,1,1,0.413241746121792,0.512907929699499,0.76,[0.1:1.42],1,0.365,0.459,3.34,[2.54:4.14],1,0.368,0.453,268.240230264,51,19,17,2,0,0,1,0,0.941176470588235,7,2,1,1,37.3,72.8779,0.462,1.624709484,0.918686155,3.50677553660664,1.949404529,0.934024125
CC[C@@](C)(C(=O)O)[C@H]1[C@H]([C@@H](C)[C@@H](C)CC)CCCC1,"cyclohexane,Custom_54,Custom_22",1121,"cyclohexane,Custom_54,Custom_22",0,1,0.249,0.54,0,1,0.543,0.672,0,1,0.339,0.512,0,1,0.479,0.658,0,1,0.453,0.623,0,1,0.722,0.813,0,1,3,5,2824,[1600:5000],1,0.496,0.584,1,0.31578947,3,0,0,0,0,4,4,1,268.439,0,521.181,505.324,15.858,0,0,943.923,0,0.75,0,0,0.8928956,29.053,7.264,9.359,0.938,4.978,-5.05,-4.257,-3.265,7006.84,0.19,4057.508,-1.428,0,0,0,0.988,3,100,0,0,24.082,2,0,0,12,4,8,10,19,0.0894222895906906,0.03,[0.02:0.04],1,0.365,0.749,18.37,[10.5:36.11],1,0.228,0.52,-4.74,[-4.99:-4.49],1,0.231,0.565,-10.75,[-10.96:-10.54],0,0.278,0.635,1.81,[1.55:2.07],1,0.49,0.682,0.73,[0.32:1.14],0,0.351,0.553,1,1,0.401702524812982,0.507138319045094,0.73,[0.07:1.39],0,0.3,0.438,3.67,[3.18:4.14],1,0.378,0.544,268.240230264,51,19,17,2,0,0,1,0,0.941176470588235,6,2,1,1,37.3,72.6758,0.423,1.624709484,0.918686155,3.45086469237977,1.949404529,0.934024125
CC[C@@](C)(C(=O)O)[C@H]1[C@H](C[C@@H](C)C(C)C)CCCC1,"cyclohexane,Custom_54,Custom_23",1122,"cyclohexane,Custom_54,Custom_23",0,1,0.25,0.544,0,1,0.543,0.672,1,1,0.334,0.489,0,1,0.525,0.69,0,1,0.426,0.585,0,1,0.428,0.671,0,1,3,5,2826,[1600:5000],1,0.437,0.571,1,0.31578947,2,0,0,1,0,6,0,-1,268.439,0,558.166,510.522,47.644,0,0,998.794,1,2,0,0.0035832,0.8657354,29.965,8.109,11.628,3.498,4.882,-4.727,-3.794,-1.897,886.524,-0.222,552.392,-1.822,0,0,0,0.537,3,100,0,0,30.904,2,0,0,6,0,6,6,19,0.0759093030720754,0.02,[0.01:0.03],1,0.352,0.746,15.55,[10.12:33.88],1,0.229,0.517,-4.7,[-4.94:-4.46],1,0.231,0.569,-10.75,[-10.96:-10.54],0,0.278,0.635,1.82,[1.56:2.08],1,0.58,0.716,0.73,[0.32:1.14],0,0.347,0.552,1,1,0.404001636535729,0.483754981716011,0.72,[0.06:1.38],1,0.333,0.449,3.67,[3.18:4.14],1,0.374,0.543,268.240230264,51,19,17,2,0,0,1,0,0.941176470588235,6,2,1,1,37.3,74.4634,0.423,1.624709484,0.918686155,3.45117215751254,1.949404529,0.934024125
CC[C@@](C)(C(=O)O)[C@H]1[C@H](C(C)(C)CCC)CCCC1,"cyclohexane,Custom_54,Custom_24",1123,"cyclohexane,Custom_54,Custom_24",0,1,0.301,0.535,1,1,0.732,0.71,1,1,0.342,0.587,0,1,0.437,0.658,0,1,0.746,0.843,0,1,0.77,0.849,0,1,3,5,3567,[2000:6300],1,0.451,0.572,1,0.31578947,2,0,0,1,0,6,0,-1,268.439,0,495.485,457.834,37.652,0,0,922.408,1,2,0,0.0040364,0.9248748,26.908,7.633,10.827,3.279,4.473,-3.585,-3.794,-0.94,1102.681,-0.092,699.312,-1.637,0,0,0,0.335,3,100,0,0,26.568,2,0,0,6,0,6,6,19,1.61047799550044,0.03,[0.02:0.04],1,0.351,0.744,18.33,[10.5:35.98],1,0.223,0.519,-4.78,[-5.09:-4.47],1,0.234,0.521,-10.76,[-10.96:-10.55],0,0.273,0.633,1.83,[1.58:2.08],1,0.604,0.727,0.75,[0.35:1.15],0,0.357,0.561,0,1,0.394034954214079,0.503304533745643,0.76,[0.1:1.42],0,0.301,0.437,3.68,[3.19:4.14],1,0.376,0.544,268.240230264,51,19,17,2,0,0,1,0,0.941176470588235,6,2,1,1,37.3,74.8654,0.422,1.624709484,0.918686155,3.55230310933835,1.949404529,0.934024125
CC[C@@](C)(C(=O)O)[C@H]1[C@H](CC(C)(C)CC)CCCC1,"cyclohexane,Custom_54,Custom_25",1124,"cyclohexane,Custom_54,Custom_25",0,1,0.273,0.53,1,1,0.732,0.71,1,1,0.326,0.555,0,1,0.483,0.701,1,1,0.413,0.567,1,1,0.387,0.647,0,1,3,5,3568,[2000:6300],1,0.44,0.572,1,0.31578947,2,0,0,1,0,6,0,-1,268.439,0,493.405,458.055,35.35,0,0,932.08,1,2,0,0.0040535,0.9352549,27.295,7.773,11.034,3.258,4.553,-3.547,-3.794,-0.772,1159.507,-0.068,738.345,-1.595,0,0,0,0.364,3,100,0,0,29.355,2,0,0,6,0,6,6,19,1.93679053176471,0.02,[0.01:0.03],1,0.337,0.738,18.36,[10.5:36.11],1,0.224,0.519,-4.7,[-4.94:-4.46],1,0.234,0.569,-10.76,[-10.96:-10.55],0,0.273,0.633,1.84,[1.6:2.08],1,0.661,0.751,0.76,[0.36:1.16],0,0.344,0.556,0,1,0.408023239068674,0.485765782982483,0.69,[0.04:1.34],1,0.327,0.448,3.68,[3.19:4.14],1,0.374,0.543,268.240230264,51,19,17,2,0,0,1,0,0.941176470588235,6,2,1,1,37.3,75.5247,0.422,1.624709484,0.918686155,3.55242484570409,1.949404529,0.934024125
CC[C@@](C)(C(=O)O)[C@H]1[C@H](CCC(C)(C)C)CCCC1,"cyclohexane,Custom_54,Custom_26",1125,"cyclohexane,Custom_54,Custom_26",0,1,0.19,0.538,1,1,0.732,0.71,1,1,0.319,0.55,1,1,0.829,0.795,0,1,0.428,0.649,1,1,0.477,0.688,0,1,3,5,3569,[2000:6300],1,0.511,0.581,1,0.31578947,2,0,0,1,0,6,0,-1,268.439,0,533.508,499.754,33.753,0,0,983.669,1,2,0,0.0037488,0.8965831,29.36,8.004,11.475,3.344,4.887,-4.276,-3.794,-1.398,1200.65,-0.078,766.703,-1.566,0,0,0,0.5,3,100,0,0,29.786,2,0,0,6,0,6,6,19,0.386396496775005,0.02,[0.01:0.03],1,0.323,0.732,19.81,[10.5:38.95],1,0.224,0.502,-4.7,[-4.94:-4.46],1,0.234,0.569,-10.76,[-10.96:-10.55],0,0.273,0.633,1.84,[1.6:2.08],1,0.673,0.756,0.75,[0.35:1.15],0,0.354,0.561,0,1,0.411283141050268,0.48739573397328,0.78,[0.12:1.44],1,0.363,0.457,3.67,[3.18:4.14],1,0.367,0.54,268.240230264,51,19,17,2,0,0,1,0,0.941176470588235,6,2,1,1,37.3,75.2389,0.422,1.624709484,0.918686155,3.55254654795566,1.949404529,0.934024125
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O=C(O)[C@@H](C)[C@@H]1C[C@@H](CC1)CCC,"cyclopentane,,Custom_4",1178,"cyclopentane,,Custom_4",0,1,0.338,0.641,0,1,0.541,0.722,0,1,0.763,0.823,0,1,0.504,0.736,0,1,0.388,0.689,0,1,0.679,0.825,0,1,4,5,8943,[5000:16000],1,0.428,0.51,1,0.38461538,1,0,0,1,0,4,0,-1,184.278,0,436.319,349.966,86.353,0,0,727.199,1,2,0,0.0045838,0.8963204,20.38,5.901,8.9,3.909,2.887,-2.844,-2.095,-1.402,380.728,-0.394,221.555,-2.727,0,0,1,-0.123,3,90.037,0,0,45.735,2,0,0,5,0,5,5,13,0.495322248964641,0.06,[0.01:0.11],1,0.413,0.724,0.2,[0.01:21.39],1,0.357,0.406,-4.47,[-4.64:-4.32],1,0.302,0.639,-10.88,[-11.02:-10.74],1,0.452,0.736,0.49,[0.35:0.63],1,0.379,0.703,0.57,[0.49:0.65],0,0.361,0.723,1,1,0.516874741851321,0.603928873738187,-0.48,[-0.82:-0.14],1,0.369,0.628,1.93,[1.47:2.39],1,0.59,0.627,184.14632988,33,13,11,2,0,0,1,0,0.909090909090909,4,2,1,0,37.3,47.2563,0.541,1.51144473,0.911254172,3.95148323075229,1.900006411,0.927141668
O=C(O)[C@@H](C)[C@@H]1C[C@H](C(C)C)CC1,"cyclopentane,,Custom_5",1179,"cyclopentane,,Custom_5",0,1,0.34,0.649,0,1,0.501,0.71,0,1,0.436,0.663,0,1,0.452,0.704,0,1,0.356,0.664,0,1,0.342,0.655,0,1,4,5,8953,[5000:16000],1,0.46,0.505,1,0.38461538,0,0,0,1,0,3,0,-1,184.278,0,427.428,339.493,87.935,0,0,718.039,1,2,0,0.0046792,0.9072654,20.656,5.906,9.151,4.119,2.82,-2.844,-2.095,-1.225,367.803,-0.33,213.437,-2.852,0,0,1,-0.103,3,89.379,0,0,46.388,2,0,0,5,0,5,5,13,0.368028687632628,0.06,[0.01:0.11],1,0.398,0.717,0.26,[0.01:22.25],1,0.338,0.389,-4.55,[-4.74:-4.36],1,0.305,0.627,-10.88,[-11.02:-10.74],1,0.446,0.735,0.49,[0.35:0.63],1,0.405,0.714,0.55,[0.49:0.6],0,0.369,0.742,1,1,0.51141936037345,0.561996736825329,-0.4,[-0.7:-0.1],1,0.371,0.635,1.89,[1.48:2.3],1,0.535,0.621,184.14632988,33,13,11,2,0,0,1,0,0.909090909090909,3,2,1,0,37.3,48.262,0.502,1.51144473,0.911254172,3.95196858449291,1.900006411,0.927141668
O=C(O)[C@@H](C)[C@@H]1C[C@@H](CC1)CCCC,"cyclopentane,,Custom_6",1180,"cyclopentane,,Custom_6",0,1,0.322,0.65,0,1,0.491,0.707,0,1,0.43,0.666,0,1,0.459,0.714,0,1,0.401,0.686,0,1,0.381,0.651,0,1,4,5,8914,[5000:16000],1,0.533,0.488,1,0.35714286,1,0,0,1,0,5,0,-1,198.305,0,467.917,381.367,86.551,0,0,784.678,1,2,0,0.0042743,0.8792725,22.038,6.363,9.359,3.766,3.247,-3.249,-2.374,-1.678,379.089,-0.484,220.524,-2.635,0,0,1,-0.012,3,92.11,0,0,45.22,2,0,0,5,0,5,5,14,0.25945760134192,0.03,[0.02:0.04],1,0.407,0.779,0.25,[0.01:22.25],1,0.333,0.387,-4.59,[-4.86:-4.32],1,0.298,0.581,-10.88,[-11.02:-10.74],1,0.434,0.734,0.81,[0.26:1.52],1,0.346,0.537,0.57,[0.49:0.65],0,0.353,0.72,1,1,0.511380598716881,0.601181802170967,-0.24,[-0.41:-0.07],1,0.44,0.683,2.07,[1.78:2.36],1,0.563,0.673,198.161979944,36,14,12,2,0,0,1,0,0.916666666666667,5,2,1,0,37.3,50.1679,0.541,1.51144473,0.911254172,3.95007262975016,1.900006411,0.927141668
O=C(O)[C@@H](C)[C@@H]1C[C@@H](CC1)[C@H](C)CC,"cyclopentane,,Custom_7",1181,"cyclopentane,,Custom_7",0,1,0.312,0.624,0,1,0.531,0.727,0,1,0.726,0.805,0,1,0.448,0.714,0,1,0.388,0.689,0,1,0.389,0.688,0,1,4,5,8883,[5000:16000],1,0.563,0.492,1,0.35714286,1,0,0,1,0,4,0,-1,198.305,0,452.673,364.738,87.935,0,0,768.691,1,2,0,0.0044182,0.8964964,22.041,6.331,9.561,3.959,3.172,-3.152,-2.374,-1.399,367.803,-0.407,213.437,-2.756,0,0,1,-0.01,3,91.438,0,0,46.388,2,0,0,5,0,5,5,14,0.253655684098536,0.03,[0.02:0.04],1,0.392,0.773,0.32,[0.01:23.02],1,0.31,0.371,-4.55,[-4.74:-4.36],1,0.304,0.626,-10.88,[-11.01:-10.75],1,0.424,0.731,0.49,[0.35:0.63],1,0.357,0.694,0.55,[0.49:0.6],0,0.357,0.739,1,1,0.498738858765652,0.555656486021429,-0.32,[-0.65:0.01],1,0.322,0.584,2.15,[1.82:2.48],1,0.553,0.659,198.161979944,36,14,12,2,0,0,1,0,0.916666666666667,4,2,1,0,37.3,51.3398,0.502,1.51144473,0.911254172,3.94855966210896,1.900006411,0.927141668
O=C(O)[C@@H](C)[C@@H]1C[C@@H](CC1)CC(C)C,"cyclopentane,,Custom_8",1182,"cyclopentane,,Custom_8",0,1,0.278,0.609,0,1,0.531,0.727,0,1,0.469,0.683,0,1,0.459,0.719,0,1,0.384,0.692,0,1,0.383,0.672,0,1,4,5,8883,[5000:16000],1,0.54,0.486,1,0.35714286,1,0,0,1,0,4,0,-1,198.305,0,455.924,368.155,87.769,0,0,770.979,1,2,0,0.0043867,0.8918699,22.132,6.319,9.555,3.966,3.187,-3.212,-2.374,-1.474,369.138,-0.413,214.275,-2.753,0,0,1,-0.004,3,91.554,0,0,46.163,2,0,0,5,0,5,5,14,0.223279698659033,0.05,[0:0.11],1,0.391,0.695,0.28,[0.01:22.7],1,0.323,0.379,-4.59,[-4.86:-4.32],1,0.312,0.587,-10.88,[-11.01:-10.75],1,0.424,0.731,0.49,[0.35:0.63],1,0.369,0.7,0.55,[0.49:0.6],0,0.349,0.736,1,1,0.510441400534772,0.561507756905989,-0.48,[-0.82:-0.14],1,0.341,0.619,2.02,[1.69:2.35],1,0.555,0.658,198.161979944,36,14,12,2,0,0,1,0,0.916666666666667,4,2,1,0,37.3,53.1274,0.502,1.51144473,0.911254172,3.94855966210896,1.900006411,0.927141668
O=C(O)[C@@H](C)[C@@H](CC1)C[C@@H]1C(C)(C)C,"cyclopentane,,Custom_9",1183,"cyclopentane,,Custom_9",1,1,0.316,0.513,0,1,0.495,0.73,1,1,0.298,0.623,0,1,0.436,0.7,0,1,0.403,0.686,0,1,0.354,0.662,0,1,4,5,8833,[5000:16000],1,0.724,0.819,1,0.35714286,0,0,0,1,0,3,0,-1,198.305,0,438.024,350.089,87.935,0,0,754.525,1,2,0,0.004566,0.9150601,22.116,6.331,9.771,4.144,3.053,-3.037,-2.374,-1.099,367.803,-0.317,213.437,-2.852,0,0,1,-0.002,3,90.743,0,0,46.388,2,0,0,5,0,5,5,14,0.256013059834871,0.06,[0:0.13],1,0.366,0.672,1.25,[0.01:23.47],1,0.294,0.363,-4.52,[-4.68:-4.36],1,0.315,0.651,-10.88,[-11.01:-10.75],1,0.404,0.725,0.5,[0.36:0.64],1,0.373,0.7,0.57,[0.49:0.65],0,0.371,0.726,1,1,0.491988711066271,0.552281412171739,-0.3,[-0.63:0.03],1,0.336,0.589,2.21,[1.91:2.48],1,0.508,0.655,198.161979944,36,14,12,2,0,0,1,0,0.916666666666667,3,2,1,0,37.3,53.8911,0.462,1.51144473,0.911254172,3.94610823043691,1.900006411,0.927141668
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O=C(O)[C@@H](C)[C@@H]1C[C@@H](CC1)[C@@H](C)CCC,"cyclopentane,,Custom_11",1185,"cyclopentane,,Custom_11",0,1,0.277,0.628,0,1,0.482,0.705,0,1,0.428,0.678,0,1,0.834,0.863,0,1,0.402,0.695,0,1,0.419,0.684,0,1,4,5,8838,[5000:16000],1,0.517,0.71,1,0.33333333,1,0,0,1,0,5,0,-1,212.331,0,479.478,394.186,85.292,0,0,819.878,1,2,0,0.0041712,0.8835452,23.447,6.733,9.915,3.785,3.481,-3.468,-2.655,-1.609,389.651,-0.466,227.173,-2.611,0,0,1,0.086,3,93.693,0,0,44.864,2,0,0,5,0,5,5,15,0.181201405220887,0.02,[0.01:0.03],1,0.372,0.767,1.22,[0.01:23.22],1,0.297,0.365,-4.67,[-4.91:-4.43],1,0.299,0.594,-10.88,[-11.02:-10.74],1,0.39,0.72,1.93,[1.56:2.3],1,0.374,0.6,0.55,[0.49:0.6],0,0.35,0.736,1,1,0.491278465947149,0.551926289612178,-0.18,[-0.37:0.01],1,0.38,0.638,2.21,[1.86:2.56],1,0.517,0.657,212.177630008,39,15,13,2,0,0,1,0,0.923076923076923,5,2,1,1,37.3,55.7916,0.502,1.51144473,0.911254172,3.94635399722627,1.900006411,0.927141668
O=C(O)[C@@H](C)[C@@H]1C[C@@H](CC1)C[C@@H](C)CC,"cyclopentane,,Custom_12",1186,"cyclopentane,,Custom_12",0,1,0.293,0.637,0,1,0.482,0.705,0,1,0.395,0.669,0,1,0.501,0.715,0,1,0.402,0.696,0,1,0.385,0.68,0,1,4,5,8840,[5000:16000],1,0.608,0.739,1,0.33333333,1,0,0,1,0,5,0,-1,212.331,0,479.183,392.83,86.353,0,0,819.153,1,2,0,0.0041738,0.883569,23.418,6.734,9.921,3.791,3.469,-3.461,-2.655,-1.608,380.728,-0.475,221.555,-2.631,0,0,1,0.084,3,93.443,0,0,45.735,2,0,0,5,0,5,5,15,0.175370743497905,0.02,[0.01:0.03],1,0.385,0.772,1.13,[0.01:23.12],1,0.302,0.366,-4.6,[-4.87:-4.33],1,0.298,0.581,-10.88,[-11.02:-10.74],1,0.39,0.72,1.94,[1.57:2.31],1,0.373,0.599,0.55,[0.49:0.6],0,0.34,0.733,1,1,0.504900358542637,0.597941682083845,-0.19,[-0.39:0.01],1,0.375,0.637,2.22,[1.87:2.57],1,0.519,0.656,212.177630008,39,15,13,2,0,0,1,0,0.923076923076923,5,2,1,1,37.3,56.2052,0.502,1.51144473,0.911254172,3.94645226501307,1.900006411,0.927141668
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O=C(O)[C@@H](C)[C@@H]1C[C@@H](CC1)[C@@H](C)C(C)C,"cyclopentane,,Custom_14",1188,"cyclopentane,,Custom_14",0,1,0.294,0.615,0,1,0.522,0.725,0,1,0.455,0.659,0,1,0.526,0.726,0,1,0.393,0.691,0,1,0.342,0.654,0,1,4,5,8818,[5000:16000],1,0.483,0.627,1,0.33333333,1,0,0,1,0,4,0,-1,212.331,0,466.997,379.062,87.935,0,0,803.462,1,2,0,0.0042827,0.8950101,23.432,6.665,10.084,3.993,3.39,-3.467,-2.655,-1.423,367.803,-0.409,213.437,-2.756,0,0,1,0.085,3,92.715,0,0,46.388,2,0,0,5,0,5,5,15,0.149978264359973,0.02,[0.01:0.03],1,0.362,0.756,1.34,[0.01:23.39],1,0.289,0.363,-4.6,[-4.86:-4.34],1,0.302,0.586,-10.88,[-11.02:-10.74],1,0.387,0.719,1.91,[1.55:2.27],1,0.375,0.604,0.55,[0.49:0.6],0,0.351,0.736,1,1,0.4870343702616,0.525271348578946,-0.3,[-0.63:0.03],1,0.292,0.569,2.21,[1.91:2.48],1,0.488,0.652,212.177630008,39,15,13,2,0,0,1,0,0.923076923076923,4,2,1,1,37.3,56.7973,0.463,1.51144473,0.911254172,3.9453700944903,1.900006411,0.927141668
O=C(O)[C@@H](C)[C@@H]1C[C@@H](CC1)CC(C)(C)C,"cyclopentane,,Custom_15",1189,"cyclopentane,,Custom_15",0,1,0.28,0.628,0,1,0.495,0.728,0,1,0.292,0.614,0,1,0.451,0.715,0,1,0.38,0.69,0,1,0.377,0.666,0,1,4,5,8856,[5000:16000],1,0.489,0.708,1,0.33333333,1,0,0,1,0,4,0,-1,212.331,0,446.991,359.057,87.935,0,0,788.91,1,2,0,0.0044744,0.9237418,22.85,6.733,10.094,3.945,3.327,-3.159,-2.655,-0.958,367.803,-0.365,213.437,-2.756,0,0,1,0.052,3,92.348,0,0,46.388,2,0,0,5,0,5,5,15,0.343535863265239,0.06,[0.01:0.13],1,0.35,0.67,1.3,[0.01:23.4],1,0.29,0.362,-4.63,[-4.88:-4.38],1,0.314,0.598,-10.79,[-10.96:-10.62],1,0.365,0.686,1.81,[1.54:2.08],1,0.401,0.648,0.6,[0.53:0.67],0,0.343,0.724,1,1,0.511678955407732,0.562126534342469,-0.44,[-0.82:-0.06],1,0.312,0.567,2.22,[1.84:2.6],1,0.486,0.616,212.177630008,39,15,13,2,0,0,1,0,0.923076923076923,4,2,1,1,37.3,57.8756,0.462,1.51144473,0.911254172,3.94723760787067,1.900006411,0.927141668
O=C(O)[C@@H](C)[C@@H](CC1)C[C@@H]1C(C)(C)CC,"cyclopentane,,Custom_16",1190,"cyclopentane,,Custom_16",0,1,0.3,0.533,0,1,0.535,0.748,0,1,0.289,0.613,0,1,0.475,0.714,0,1,0.421,0.696,0,1,0.357,0.648,0,1,4,5,8856,[5000:16000],1,0.491,0.704,1,0.33333333,1,0,0,1,0,4,0,-1,212.331,0,453.855,367.502,86.353,0,0,790.375,1,2,0,0.0044067,0.9108979,22.908,6.639,9.988,3.951,3.34,-3.265,-2.655,-1.166,380.728,-0.371,221.555,-2.727,0,0,1,0.053,3,92.692,0,0,45.735,2,0,0,5,0,5,5,15,0.27657842658552,0.05,[0:0.12],1,0.35,0.667,1.48,[0.01:23.45],1,0.277,0.361,-4.67,[-4.9:-4.44],1,0.296,0.596,-10.79,[-10.96:-10.62],1,0.365,0.686,1.81,[1.54:2.08],1,0.397,0.647,0.57,[0.49:0.65],0,0.359,0.722,1,1,0.474391270525693,0.54348269190145,-0.29,[-0.62:0.04],1,0.287,0.567,2.32,[1.96:2.68],1,0.481,0.622,212.177630008,39,15,13,2,0,0,1,0,0.923076923076923,4,2,1,1,37.3,58.7395,0.462,1.51144473,0.911254172,3.94723760787067,1.900006411,0.927141668
O=C(O)[C@@H](C)[C@@H]1C[C@@H](CC1)CCCCCC,"cyclopentane,,Custom_17",1191,"cyclopentane,,Custom_17",0,1,0.294,0.647,0,1,0.476,0.703,0,1,0.4,0.674,0,1,0.465,0.717,0,1,0.428,0.685,0,1,0.412,0.655,0,1,4,5,6232,[3500:11000],1,0.777,0.545,1,0.3125,1,0,0,1,0,7,0,-1,226.358,0,533.668,445.733,87.935,0,0,905.914,1,2,0,0.0037477,0.8484355,25.606,7.424,10.387,3.492,4.005,-4.116,-2.939,-2.177,367.803,-0.673,213.437,-2.468,0,0,1,0.232,3,96.314,0,0,46.388,2,0,0,5,0,5,5,16,0.0589269109930052,0.02,[0.01:0.03],1,0.396,0.776,1.2,[0.01:23],1,0.293,0.364,-4.62,[-4.9:-4.34],1,0.275,0.565,-10.88,[-11.02:-10.74],1,0.378,0.715,1.95,[1.58:2.32],1,0.393,0.608,0.64,[0.52:0.76],0,0.343,0.692,1,1,0.514331525634859,0.602657265629956,-0.27,[-0.43:-0.11],1,0.41,0.677,2.36,[2.12:2.6],1,0.528,0.703,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,7,2,1,1,37.3,55.9911,0.541,1.51144473,0.911254172,3.79462744466451,1.900006411,0.927141668
O=C(O)[C@@H](C)[C@@H]1C[C@@H](CC1)[C@@H](C)CCCC,"cyclopentane,,Custom_18",1192,"cyclopentane,,Custom_18",0,1,0.302,0.651,0,1,0.476,0.703,0,1,0.381,0.665,0,1,0.573,0.758,0,1,0.422,0.706,0,1,0.401,0.657,0,1,4,5,5526,[3100:9800],1,0.536,0.604,1,0.3125,1,0,0,1,0,6,0,-1,226.358,0,513.337,426.984,86.353,0,0,881.993,1,2,0,0.0038961,0.866441,25.291,7.257,10.451,3.653,3.866,-3.909,-2.939,-1.886,380.728,-0.565,221.555,-2.535,0,0,1,0.212,3,95.771,0,0,45.735,2,0,0,5,0,5,5,16,0.0814851585593801,0.02,[0.01:0.03],1,0.362,0.769,1.43,[0.01:23.21],1,0.284,0.363,-4.68,[-4.92:-4.44],1,0.287,0.588,-10.79,[-10.96:-10.62],1,0.355,0.682,1.89,[1.54:2.24],1,0.397,0.618,0.55,[0.49:0.6],0,0.344,0.734,1,1,0.49506488210916,0.553819497693183,0.23,[-0.23:0.97],1,0.376,0.446,2.36,[2.12:2.6],1,0.536,0.707,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,6,2,1,1,37.3,58.7032,0.502,1.51144473,0.911254172,3.74241088058049,1.900006411,0.927141668
O=C(O)[C@@H](C)[C@@H]1C[C@@H](CC1)C[C@@H](C)CCC,"cyclopentane,,Custom_19",1193,"cyclopentane,,Custom_19",0,1,0.319,0.65,0,1,0.516,0.723,0,1,0.384,0.661,0,1,0.456,0.707,0,1,0.411,0.682,0,1,0.395,0.67,0,1,4,5,5526,[3100:9800],1,0.552,0.607,1,0.3125,1,0,0,1,0,6,0,-1,226.358,0,510.748,424.395,86.353,0,0,877.537,1,2,0,0.0039158,0.867899,25.112,7.221,10.397,3.647,3.838,-3.862,-2.939,-1.862,380.728,-0.562,221.555,-2.535,0,0,1,0.2,3,95.606,0,0,45.735,2,0,0,5,0,5,5,16,0.0908195563886461,0.02,[0.01:0.03],1,0.36,0.768,1.35,[0.01:23.21],1,0.289,0.363,-4.61,[-4.88:-4.34],1,0.288,0.575,-10.79,[-10.96:-10.62],1,0.355,0.682,1.87,[1.53:2.21],1,0.405,0.625,0.55,[0.49:0.6],0,0.334,0.731,1,1,0.512670164763961,0.562622139020584,-0.17,[-0.36:0.02],1,0.379,0.635,2.36,[2.12:2.6],1,0.537,0.707,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,6,2,1,1,37.3,60.657,0.502,1.51144473,0.911254172,3.74241088058049,1.900006411,0.927141668
O=C(O)[C@@H](C)[C@@H]1C[C@@H](CC1)CC[C@H](C)CC,"cyclopentane,,Custom_20",1194,"cyclopentane,,Custom_20",0,1,0.27,0.635,0,1,0.476,0.703,0,1,0.382,0.66,0,1,0.58,0.742,0,1,0.427,0.685,0,1,0.4,0.667,0,1,4,5,5526,[3100:9800],1,0.641,0.623,1,0.3125,1,0,0,1,0,6,0,-1,226.358,0,511.228,424.875,86.353,0,0,878.754,1,2,0,0.0039122,0.8678852,25.161,7.233,10.415,3.648,3.846,-3.87,-2.939,-1.862,380.728,-0.562,221.555,-2.535,0,0,1,0.203,3,95.652,0,0,45.735,2,0,0,5,0,5,5,16,0.0890115808361239,0.02,[0.01:0.03],1,0.358,0.758,1.33,[0.01:23.21],1,0.289,0.363,-4.61,[-4.88:-4.34],1,0.279,0.573,-10.79,[-10.96:-10.62],1,0.355,0.682,1.85,[1.51:2.19],1,0.409,0.628,0.6,[0.53:0.67],0,0.339,0.723,1,1,0.51716339906848,0.604073202346767,-0.01,[-0.37:0.42],1,0.4,0.588,2.36,[2.12:2.6],1,0.534,0.707,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,6,2,1,1,37.3,60.2434,0.502,1.51144473,0.911254172,3.74241088058049,1.900006411,0.927141668
O=C(O)[C@@H](C)[C@@H]1C[C@@H](CC1)CCCC(C)C,"cyclopentane,,Custom_21",1195,"cyclopentane,,Custom_21",0,1,0.33,0.655,0,1,0.516,0.723,0,1,0.386,0.662,0,1,0.499,0.717,0,1,0.43,0.691,0,1,0.419,0.671,0,1,4,5,5508,[3100:9800],1,0.747,0.636,1,0.3125,1,0,0,1,0,6,0,-1,226.358,0,517.923,431.57,86.353,0,0,887.604,1,2,0,0.0038616,0.8624074,25.515,7.293,10.499,3.664,3.901,-3.992,-2.939,-1.951,380.728,-0.572,221.555,-2.535,0,0,1,0.227,3,95.976,0,0,45.735,2,0,0,5,0,5,5,16,0.0672389005104763,0.02,[0.01:0.03],1,0.351,0.756,1.29,[0.01:23.17],1,0.291,0.363,-4.61,[-4.88:-4.34],1,0.284,0.576,-10.79,[-10.96:-10.62],1,0.355,0.682,1.81,[1.54:2.08],1,0.427,0.657,0.6,[0.53:0.67],0,0.34,0.723,1,1,0.51895409989595,0.604968552760501,-0.27,[-0.43:-0.11],1,0.414,0.679,2.36,[2.12:2.6],1,0.531,0.706,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,6,2,1,1,37.3,60.0772,0.502,1.51144473,0.911254172,3.74099393158489,1.900006411,0.927141668
O=C(O)[C@@H](C)[C@@H]1C[C@@H](CC1)[C@@H](C)[C@@H](C)CC,"cyclopentane,,Custom_22",1196,"cyclopentane,,Custom_22",0,1,0.238,0.536,0,1,0.515,0.723,0,1,0.389,0.669,0,1,0.833,0.867,0,1,0.412,0.682,0,1,0.381,0.668,0,1,4,5,5048,[2800:9000],1,0.556,0.611,1,0.3125,1,0,0,1,0,5,0,-1,226.358,0,488.702,402.151,86.551,0,0,848.445,1,2,0,0.0040925,0.8868909,24.59,7.043,10.406,3.816,3.655,-3.624,-2.939,-1.555,379.089,-0.471,220.524,-2.635,0,0,1,0.165,3,94.499,0,0,45.22,2,0,0,5,0,5,5,16,0.124691475106645,0.02,[0.01:0.03],1,0.355,0.75,1.56,[0.01:23.32],1,0.276,0.362,-4.68,[-4.92:-4.44],1,0.286,0.589,-10.79,[-10.96:-10.62],1,0.348,0.679,1.88,[1.53:2.23],1,0.398,0.62,0.55,[0.49:0.6],0,0.342,0.734,1,1,0.469910241026951,0.541242177152079,0.42,[-0.23:1.16],1,0.324,0.427,2.35,[2.12:2.58],1,0.495,0.696,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,5,2,1,1,37.3,59.8751,0.463,1.51144473,0.911254172,3.70311934623608,1.900006411,0.927141668
O=C(O)[C@@H](C)[C@@H]1C[C@@H](CC1)C[C@@H](C)C(C)C,"cyclopentane,,Custom_23",1197,"cyclopentane,,Custom_23",0,1,0.259,0.62,0,1,0.475,0.703,0,1,0.399,0.651,0,1,0.456,0.701,0,1,0.414,0.703,0,1,0.428,0.684,0,1,4,5,5053,[2800:9000],1,0.565,0.614,1,0.3125,1,0,0,1,0,5,0,-1,226.358,0,498.721,410.953,87.769,0,0,864.798,1,2,0,0.0040103,0.8802043,25.245,7.172,10.618,3.848,3.749,-3.806,-2.939,-1.663,369.138,-0.493,214.275,-2.657,0,0,1,0.209,3,94.846,0,0,46.163,2,0,0,5,0,5,5,16,0.0779350292480126,0.02,[0.01:0.03],1,0.35,0.755,1.47,[0.01:23.38],1,0.283,0.362,-4.61,[-4.88:-4.34],1,0.286,0.576,-10.79,[-10.96:-10.62],1,0.348,0.679,1.81,[1.54:2.08],1,0.422,0.655,0.55,[0.49:0.6],0,0.335,0.731,1,1,0.503416196609754,0.557995154943481,-0.17,[-0.36:0.02],1,0.37,0.631,2.35,[2.11:2.59],1,0.501,0.698,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,5,2,1,1,37.3,61.6627,0.463,1.51144473,0.911254172,3.70354929823823,1.900006411,0.927141668
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O=C(O)CCC[C@@H](CC1)C[C@@H]1C[C@@H](C)CC,"cyclopentane,Custom_43,Custom_12",1211,"cyclopentane,Custom_43,Custom_12",0,1,0.328,0.655,0,1,0.516,0.723,0,1,0.369,0.653,0,1,0.462,0.715,0,1,0.434,0.706,0,1,0.387,0.674,0,1,4,5,6238,[3500:11000],1,0.518,0.497,1,0.3125,1,0,0,1,0,7,0,-1,226.358,0,524.536,416.377,108.159,0,0,892.693,1,2,0,0.0038129,0.8547873,25.077,7.462,10.578,3.608,3.781,-3.95,-2.939,-2.074,236.5,-0.845,132.426,-2.841,0,0,1,0.197,3,91.573,0,0,50.947,2,0,0,5,0,5,5,16,0.0366529450401838,0.02,[0.01:0.03],1,0.379,0.771,1.38,[0.01:23.21],1,0.274,0.36,-4.67,[-4.9:-4.44],1,0.275,0.583,-10.88,[-11.02:-10.74],1,0.362,0.709,1.9,[1.54:2.26],1,0.395,0.616,0.57,[0.49:0.65],0,0.29,0.699,1,1,0.514252998202894,0.757126499101447,-0.22,[-0.45:0.01],1,0.357,0.62,2.36,[2.12:2.6],1,0.524,0.701,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,7,2,1,1,37.3,58.7637,0.541,1.51144473,0.911254172,3.79504537042112,1.900006411,0.927141668
O=C(O)CCC[C@@H](CC1)C[C@@H]1CCC(C)C,"cyclopentane,Custom_43,Custom_13",1212,"cyclopentane,Custom_43,Custom_13",0,1,0.627,0.803,0,1,0.516,0.723,0,1,0.369,0.653,0,1,0.463,0.722,0,1,0.431,0.715,0,1,0.404,0.682,0,1,4,5,6238,[3500:11000],1,0.526,0.499,1,0.3125,1,0,0,1,0,7,0,-1,226.358,0,536.091,427.716,108.375,0,0,905.497,1,2,0,0.0037307,0.8443411,25.589,7.547,10.671,3.637,3.86,-4.161,-2.939,-2.243,235.388,-0.872,131.753,-2.845,0,0,1,0.23,3,91.996,0,0,50.857,2,0,0,5,0,5,5,16,0.0223551144799757,0.02,[0.01:0.03],1,0.345,0.754,1.35,[0.01:23.21],1,0.276,0.36,-4.76,[-5.08:-4.44],1,0.273,0.524,-10.88,[-11.02:-10.74],1,0.362,0.709,1.81,[1.54:2.08],1,0.431,0.659,0.69,[0.48:0.91],0,0.289,0.602,1,1,0.530721571550091,0.765360785775045,-0.2,[-0.39:-0.01],1,0.394,0.646,2.36,[2.12:2.6],1,0.515,0.699,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,7,2,1,1,37.3,59.7241,0.541,1.51144473,0.911254172,3.79504537042112,1.900006411,0.927141668
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O=C(O)C(C)(C)[C@@H]1C[C@@H](CC1)CCC,"cyclopentane,Custom_46,Custom_4",1278,"cyclopentane,Custom_46,Custom_4",1,1,0.321,0.524,0,1,0.533,0.749,1,1,0.303,0.62,0,1,0.489,0.715,0,1,0.414,0.707,0,1,0.693,0.834,0,1,4,5,8984,[5100:16000],1,0.525,0.525,1,0.35714286,2,0,0,1,0,4,0,-1,198.305,0,445.921,374.874,71.047,0,0,758.309,1,2,0,0.0044851,0.9018575,21.625,6.148,9.17,3.828,3.191,-3.016,-2.374,-1.313,531.82,-0.26,317.959,-2.445,0,0,0,-0.037,3,94.418,0,0,39.196,2,0,0,5,0,5,5,14,0.686673796685955,0.07,[0:0.14],1,0.383,0.687,1.1,[0.01:23.35],1,0.302,0.364,-4.52,[-4.71:-4.33],1,0.277,0.617,-10.78,[-10.96:-10.6],1,0.357,0.678,0.49,[0.35:0.63],1,0.374,0.702,0.6,[0.53:0.67],0,0.387,0.739,1,1,0.500763391697551,0.556668752487379,-0.24,[-0.41:-0.07],1,0.385,0.664,2.15,[1.82:2.48],1,0.542,0.657,198.161979944,36,14,12,2,0,0,1,0,0.916666666666667,4,2,1,0,37.3,52.297,0.501,1.51144473,0.911254172,3.9534697432534,1.900006411,0.927141668
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O=C(O)C(C)(C)[C@@H]1C[C@@H](CC1)[C@@H](C)C(C)C,"cyclopentane,Custom_46,Custom_14",1288,"cyclopentane,Custom_46,Custom_14",1,1,0.586,0.691,0,1,0.496,0.727,1,1,0.275,0.611,0,1,0.78,0.823,0,1,0.39,0.667,0,1,0.403,0.688,0,1,4,5,8845,[5000:16000],1,0.481,0.715,1,0.3125,2,0,0,1,0,4,0,-1,226.358,0,467.825,397.518,70.307,0,0,825.75,1,2,0,0.0042751,0.9098723,24.324,6.86,10.267,3.875,3.627,-3.41,-2.939,-1.183,540.477,-0.244,323.557,-2.431,0,0,0,0.15,3,100,0,0,39.174,2,0,0,5,0,5,5,16,0.326396352936876,0.05,[0.01:0.12],1,0.351,0.668,1.65,[0.01:23.59],1,0.263,0.357,-4.56,[-4.75:-4.37],1,0.27,0.613,-10.82,[-10.97:-10.64],1,0.319,0.669,1.81,[1.54:2.08],1,0.442,0.661,0.6,[0.53:0.67],0,0.368,0.733,1,1,0.45905630934855,0.511282318122421,0.44,[-0.23:1.19],1,0.321,0.424,2.67,[2.17:3.23],1,0.448,0.597,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,4,2,1,1,37.3,61.838,0.423,1.51144473,0.911254172,3.94669783724574,1.900006411,0.927141668
O=C(O)C(C)(C)[C@@H]1C[C@@H](CC1)CC(C)(C)C,"cyclopentane,Custom_46,Custom_15",1289,"cyclopentane,Custom_46,Custom_15",1,1,0.334,0.486,0,1,0.411,0.642,1,1,0.329,0.629,0,1,0.439,0.685,0,1,0.383,0.677,0,1,0.353,0.645,0,1,4,5,8961,[5000:16000],1,0.454,0.705,1,0.3125,2,0,0,1,0,4,0,-1,226.358,0,454.431,382.902,71.529,0,0,816.606,1,2,0,0.0044011,0.9297635,23.958,6.928,10.307,3.852,3.565,-3.169,-2.939,-0.861,526.253,-0.229,314.364,-2.454,0,0,0,0.129,3,96.521,0,0,39.198,2,0,0,5,0,5,5,16,0.54009063662636,0.05,[0.01:0.12],1,0.341,0.668,1.65,[0.01:23.58],1,0.262,0.357,-4.58,[-4.75:-4.41],1,0.285,0.633,-10.74,[-10.92:-10.54],1,0.31,0.661,1.82,[1.55:2.09],1,0.443,0.662,0.6,[0.53:0.67],0,0.351,0.727,1,1,0.471627657744884,0.517567992320588,-0.16,[-0.35:0.03],1,0.35,0.623,2.65,[2.17:3.19],1,0.449,0.6,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,4,2,1,1,37.3,62.9163,0.422,1.51144473,0.911254172,3.95235647732379,1.900006411,0.927141668
O=C(O)C(C)(C)[C@@H]1C[C@@H](CC1)C(C)(C)CC,"cyclopentane,Custom_46,Custom_16",1290,"cyclopentane,Custom_46,Custom_16",0,1,0.65,0.674,0,1,0.371,0.622,0,0,0.287,0.618,0,1,0.507,0.686,0,1,0.422,0.701,0,1,0.396,0.689,0,1,4,5,8961,[5000:16000],1,0.469,0.704,1,0.3125,2,0,0,1,0,4,0,-1,226.358,0,460.299,393.904,66.396,0,0,817.768,1,2,0,0.004345,0.9187797,24.005,6.82,10.153,3.831,3.605,-3.274,-2.939,-1.039,588.666,-0.202,354.849,-2.359,0,0,0,0.13,3,100,0,0,39.196,2,0,0,5,0,5,5,16,0.526577299816408,0.05,[0.01:0.12],1,0.35,0.667,5.62,[0.01:26.27],1,0.255,0.398,-4.59,[-4.75:-4.43],1,0.269,0.628,-10.74,[-10.92:-10.54],1,0.31,0.661,1.82,[1.55:2.09],1,0.452,0.665,0.64,[0.52:0.76],0,0.381,0.705,1,1,0.434378852078641,0.498943589487466,0.44,[-0.23:1.19],1,0.305,0.418,2.98,[2.36:3.6],1,0.441,0.524,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,4,2,1,1,37.3,63.7802,0.422,1.51144473,0.911254172,3.95235647732379,1.900006411,0.927141668
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O=C(O)C(C)(C)[C@@H]1C[C@@H](CC1)CC(C)(C)CC,"cyclopentane,Custom_46,Custom_25",1299,"cyclopentane,Custom_46,Custom_25",0,1,0.312,0.541,0,1,0.405,0.64,0,1,0.581,0.755,0,1,0.485,0.678,0,1,0.399,0.662,0,1,0.382,0.662,0,1,4,5,5593,[3100:9900],1,0.596,0.687,1,0.29411765,2,0,0,1,0,5,0,-1,240.385,0,486.669,415.279,71.39,0,0,866.6,1,2,0,0.0041096,0.9032555,25.317,7.213,10.587,3.708,3.879,-3.588,-3.224,-1.29,527.846,-0.321,315.392,-2.355,0,0,0,0.219,3,100,0,0,39.196,2,0,0,5,0,5,5,17,0.27426385135995,0.02,[0.01:0.03],1,0.334,0.735,5.67,[0.01:26.13],1,0.251,0.399,-4.69,[-4.93:-4.45],1,0.263,0.58,-10.81,[-10.96:-10.63],1,0.296,0.65,1.82,[1.55:2.09],1,0.525,0.691,0.6,[0.53:0.67],0,0.343,0.724,1,1,0.461207156373724,0.512357741635008,0.39,[-0.23:1.09],1,0.347,0.443,2.97,[2.35:3.59],1,0.452,0.526,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,5,2,1,1,37.3,67.7647,0.422,1.55813368,0.91206848,3.74764481932825,1.931561895,0.930815017
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O=C(O)CCCC[C@@H](CC1)C[C@@H]1[C@@H](C)CCC,"cyclopentane,Custom_47,Custom_11",1310,"cyclopentane,Custom_47,Custom_11",0,1,0.357,0.667,0,1,0.431,0.681,0,1,0.368,0.645,0,1,0.456,0.708,0,1,0.442,0.632,0,1,0.411,0.688,0,1,4,5,5265,[3000:9400],1,0.444,0.487,1,0.29411765,1,0,0,1,0,8,0,-1,240.385,0,552.894,454.892,98.002,0,0,949.477,1,2,0,0.0036173,0.844979,26.707,7.914,10.905,3.386,4.213,-4.305,-3.224,-2.233,295.221,-0.834,168.298,-2.558,0,0,1,0.311,3,95.827,0,0,48.064,2,0,0,5,0,5,5,17,0.0329894981349555,0.02,[0:0.04],1,0.373,0.765,5.7,[0.01:27.5],1,0.263,0.384,-4.78,[-5.11:-4.45],1,0.259,0.516,-10.78,[-10.95:-10.61],1,0.333,0.673,1.88,[1.53:2.23],1,0.403,0.623,0.57,[0.49:0.65],0,0.285,0.697,1,1,0.483443997694183,0.741721998847091,0.11,[-0.21:0.43],1,0.369,0.577,2.86,[2.31:3.42],1,0.432,0.58,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,8,2,1,1,37.3,61.2617,0.541,1.55813368,0.91206848,3.72139837552151,1.931561895,0.930815017
O=C(O)CCCC[C@@H](CC1)C[C@@H]1C[C@@H](C)CC,"cyclopentane,Custom_47,Custom_12",1311,"cyclopentane,Custom_47,Custom_12",0,1,0.324,0.651,0,1,0.471,0.701,0,1,0.363,0.641,0,1,0.464,0.732,0,1,0.443,0.673,0,1,0.433,0.622,0,1,4,5,5265,[3000:9400],1,0.396,0.476,1,0.29411765,1,0,0,1,0,8,0,-1,240.385,0,557.412,449.353,108.058,0,0,951.959,1,2,0,0.003588,0.8395915,26.807,7.991,11.05,3.465,4.159,-4.388,-3.224,-2.32,237.02,-0.941,132.741,-2.743,0,0,1,0.317,3,93.8,0,0,50.939,2,0,0,5,0,5,5,17,0.0177978554543504,0.02,[0:0.04],1,0.384,0.766,5.65,[0.01:27.53],1,0.264,0.383,-4.77,[-5.1:-4.44],1,0.262,0.518,-10.78,[-10.95:-10.61],1,0.333,0.673,1.9,[1.55:2.25],1,0.397,0.618,0.57,[0.49:0.65],0,0.283,0.697,1,1,0.504377639450044,0.752188819725022,-0.11,[-0.34:0.12],1,0.378,0.613,2.87,[2.31:3.43],1,0.43,0.579,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,8,2,1,1,37.3,61.6753,0.541,1.55813368,0.91206848,3.72139837552151,1.931561895,0.930815017
O=C(O)CCCC[C@@H](CC1)C[C@@H]1CCC(C)C,"cyclopentane,Custom_47,Custom_13",1312,"cyclopentane,Custom_47,Custom_13",0,1,0.278,0.639,0,1,0.471,0.701,0,1,0.366,0.613,0,1,0.466,0.722,0,1,0.445,0.679,0,1,0.435,0.68,0,1,4,5,5265,[3000:9400],1,0.397,0.476,1,0.29411765,1,0,0,1,0,8,0,-1,240.385,0,564.112,456.048,108.064,0,0,962.267,1,2,0,0.0035454,0.8355974,27.219,8.081,11.165,3.482,4.224,-4.51,-3.224,-2.385,236.991,-0.95,132.723,-2.743,0,0,1,0.345,3,94.182,0,0,50.939,2,0,0,5,0,5,5,17,0.0134141308843135,0.03,[0.02:0.04],1,0.34,0.758,5.58,[0.01:27.5],1,0.266,0.383,-4.78,[-5.1:-4.46],1,0.259,0.524,-10.78,[-10.95:-10.61],1,0.333,0.673,1.81,[1.54:2.08],1,0.453,0.668,0.7,[0.48:0.92],0,0.282,0.599,1,1,0.524168852508166,0.762084426254083,-0.12,[-0.35:0.11],1,0.392,0.619,2.87,[2.31:3.44],1,0.427,0.577,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,8,2,1,1,37.3,62.6357,0.541,1.55813368,0.91206848,3.72139837552151,1.931561895,0.930815017
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O=C(O)CC(C)(C)[C@@H]1C[C@@H](CC1)CCCC(C)C,"cyclopentane,Custom_51,Custom_21",1420,"cyclopentane,Custom_51,Custom_21",0,1,0.204,0.563,0,1,0.491,0.724,0,1,0.291,0.565,0,1,0.435,0.662,0,1,0.415,0.708,0,1,0.382,0.622,0,1,4,5,5927,[3300:11000],1,0.523,0.607,1,0.27777778,1,0,0,1,0,7,0,-1,254.412,0,550.064,461.239,88.825,0,0,963.886,1,2,0,0.0036359,0.8578981,27.926,8.036,11.394,3.538,4.372,-4.416,-3.511,-2.024,360.722,-0.663,208.999,-2.484,0,0,1,0.396,3,100,0,0,44.69,2,0,0,5,0,5,5,18,0.0319964359804046,0.02,[0.01:0.03],1,0.314,0.733,5.85,[0.01:27.34],1,0.246,0.381,-4.8,[-5.13:-4.47],1,0.237,0.509,-10.82,[-10.96:-10.65],1,0.283,0.649,1.83,[1.58:2.08],1,0.578,0.717,0.6,[0.53:0.67],0,0.31,0.713,1,1,0.462517873471994,0.576750439548523,0.77,[0.11:1.43],1,0.375,0.454,3.11,[2.32:3.9],1,0.403,0.513,254.2245802,48,18,16,2,0,0,1,0,0.9375,7,2,1,1,37.3,69.6671,0.462,1.593914179,0.920477205,3.77283492723902,1.947634956,0.938364401
O=C(O)CC(C)(C)[C@@H]1C[C@@H](CC1)[C@@H](C)[C@@H](C)CC,"cyclopentane,Custom_51,Custom_22",1421,"cyclopentane,Custom_51,Custom_22",1,1,0.286,0.537,0,1,0.452,0.704,1,1,0.251,0.509,0,1,0.436,0.699,0,1,0.462,0.722,0,1,0.386,0.677,0,1,4,5,5560,[3100:9900],1,0.447,0.577,1,0.27777778,1,0,0,1,0,6,0,-1,254.412,0,519.227,430.404,88.824,0,0,925.347,1,2,0,0.0038519,0.884458,27.026,7.786,11.338,3.684,4.13,-4.016,-3.511,-1.594,360.732,-0.555,209.005,-2.58,0,0,1,0.336,3,96.896,0,0,44.689,2,0,0,5,0,5,5,18,0.0644292731942736,0.02,[0.01:0.03],1,0.344,0.743,19.12,[10.12:38.4],1,0.248,0.509,-4.79,[-5.12:-4.46],1,0.241,0.511,-10.82,[-10.96:-10.65],1,0.281,0.648,1.82,[1.56:2.08],1,0.522,0.695,0.55,[0.49:0.6],0,0.309,0.723,1,1,0.425786335387561,0.519180224332384,0.66,[-0.04:1.36],1,0.317,0.431,3.33,[2.54:4.12],1,0.421,0.476,254.2245802,48,18,16,2,0,0,1,0,0.9375,6,2,1,1,37.3,69.465,0.423,1.593914179,0.920477205,3.74507479158206,1.947634956,0.938364401
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O=C(O)C(C)(C)C[C@@H](CC1)C[C@@H]1[C@H](C)CC,"cyclopentane,Custom_52,Custom_7",1431,"cyclopentane,Custom_52,Custom_7",1,1,0.276,0.504,0,1,0.494,0.727,1,1,0.32,0.633,0,1,0.839,0.875,0,1,0.408,0.704,0,1,0.427,0.694,0,1,4,5,5345,[3000:9500],1,0.54,0.589,1,0.3125,2,0,0,1,0,5,0,-1,226.358,0,478.667,420.329,58.338,0,0,840.506,1,2,0,0.0041783,0.8998269,24.273,6.849,9.937,3.6,3.802,-3.443,-2.939,-1.345,701.915,-0.218,429.18,-2.115,0,0,0,0.146,3,100,0,0,36.735,2,0,0,5,0,5,5,16,0.627176244946238,0.02,[0.01:0.03],1,0.35,0.752,1.62,[0.01:23.73],1,0.26,0.355,-4.72,[-4.97:-4.47],1,0.266,0.576,-10.82,[-10.97:-10.64],1,0.318,0.669,1.81,[1.54:2.08],1,0.425,0.656,0.6,[0.53:0.67],0,0.346,0.725,1,1,0.498117753396905,0.555345933337056,-0.16,[-0.35:0.03],1,0.357,0.626,2.35,[2.11:2.59],1,0.496,0.694,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,5,2,1,1,37.3,60.365,0.462,1.51144473,0.911254172,3.7279477095448,1.900006411,0.927141668
O=C(O)C(C)(C)C[C@@H]1C[C@@H](CC1)CC(C)C,"cyclopentane,Custom_52,Custom_8",1432,"cyclopentane,Custom_52,Custom_8",0,1,0.261,0.631,0,1,0.534,0.747,0,1,0.312,0.63,0,1,0.48,0.74,0,1,0.4,0.684,0,1,0.366,0.633,0,1,4,5,5345,[3000:9500],1,0.531,0.587,1,0.3125,2,0,0,1,0,5,0,-1,226.358,0,491.793,416.155,75.638,0,0,857.129,1,2,0,0.0040668,0.8873197,24.938,7.054,10.367,3.749,3.786,-3.68,-2.939,-1.548,481.088,-0.378,285.305,-2.433,0,0,0,0.189,3,100,0,0,42.333,2,0,0,5,0,5,5,16,0.17415980284304,0.05,[0.01:0.12],1,0.338,0.669,1.59,[0.01:23.75],1,0.265,0.356,-4.65,[-4.91:-4.39],1,0.275,0.575,-10.82,[-10.97:-10.64],1,0.318,0.669,1.81,[1.54:2.08],1,0.449,0.664,0.6,[0.53:0.67],0,0.353,0.728,1,1,0.504752495377788,0.558663304327497,-0.2,[-0.4:0],1,0.387,0.641,2.35,[2.11:2.59],1,0.499,0.694,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,5,2,1,1,37.3,62.1526,0.462,1.51144473,0.911254172,3.7279477095448,1.900006411,0.927141668
O=C(O)C(C)(C)C[C@@H](CC1)C[C@@H]1C(C)(C)C,"cyclopentane,Custom_52,Custom_9",1433,"cyclopentane,Custom_52,Custom_9",1,1,0.682,0.651,0,1,0.411,0.642,1,1,0.329,0.629,0,1,0.433,0.667,0,1,0.432,0.711,0,1,0.357,0.634,0,1,4,5,8960,[5000:16000],1,0.474,0.717,1,0.3125,2,0,0,1,0,4,0,-1,226.358,0,473.344,397.706,75.638,0,0,839.086,1,2,0,0.0042253,0.9089206,24.858,7.019,10.554,3.925,3.675,-3.509,-2.939,-1.198,481.088,-0.288,285.305,-2.529,0,0,0,0.186,3,96.47,0,0,42.333,2,0,0,5,0,5,5,16,0.206968960820446,0.06,[0.01:0.13],1,0.339,0.667,5.66,[0.01:26.47],1,0.252,0.397,-4.65,[-4.84:-4.46],1,0.276,0.619,-10.74,[-10.92:-10.54],1,0.309,0.661,1.82,[1.55:2.09],1,0.443,0.662,0.64,[0.52:0.76],0,0.342,0.692,1,1,0.481473971171478,0.547024042224342,-0.16,[-0.35:0.03],1,0.349,0.623,2.65,[2.17:3.19],1,0.45,0.6,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,4,2,1,1,37.3,62.9163,0.422,1.51144473,0.911254172,3.95230800966213,1.900006411,0.927141668
O=C(O)C(C)(C)C[C@@H]1C[C@@H](CC1)CCCCC,"cyclopentane,Custom_52,Custom_10",1434,"cyclopentane,Custom_52,Custom_10",1,1,0.264,0.523,0,1,0.491,0.725,1,1,0.3,0.586,0,1,0.879,0.929,0,1,0.419,0.705,0,1,0.376,0.639,0,1,4,5,5999,[3400:11000],1,0.695,0.626,1,0.29411765,2,0,0,1,0,7,0,-1,240.385,0,537.738,462.099,75.638,0,0,932.337,1,2,0,0.0037193,0.8583084,26.663,7.639,10.694,3.418,4.261,-4.191,-3.224,-2.017,481.088,-0.543,285.305,-2.241,0,0,0,0.308,3,100,0,0,42.333,2,0,0,5,0,5,5,17,0.0888712786927122,0.02,[0.01:0.03],1,0.347,0.751,5.75,[0.01:27.8],1,0.258,0.382,-4.73,[-4.98:-4.48],1,0.252,0.571,-10.74,[-10.92:-10.54],1,0.312,0.662,1.81,[1.54:2.08],1,0.452,0.665,0.61,[0.43:0.79],0,0.336,0.642,1,1,0.507656077366055,0.560115095321631,-0.11,[-0.35:0.13],1,0.391,0.614,2.64,[2.17:3.18],1,0.457,0.555,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,7,2,1,1,37.3,62.1047,0.501,1.55813368,0.91206848,3.77807886193745,1.931561895,0.930815017
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O=C(O)C(C)(C)C[C@@H]1C[C@@H](CC1)C[C@@H](C)CC,"cyclopentane,Custom_52,Custom_12",1436,"cyclopentane,Custom_52,Custom_12",1,1,0.303,0.557,0,1,0.533,0.745,1,1,0.298,0.585,0,1,0.873,0.926,0,1,0.41,0.69,0,1,0.411,0.672,0,1,4,5,5705,[3200:10000],1,0.692,0.628,1,0.29411765,2,0,0,1,0,6,0,-1,240.385,0,516.421,440.783,75.638,0,0,907.569,1,2,0,0.0038728,0.8778385,26.314,7.489,10.782,3.587,4.106,-3.965,-3.224,-1.701,481.088,-0.452,285.305,-2.337,0,0,0,0.285,3,100,0,0,42.333,2,0,0,5,0,5,5,17,0.119828099104063,0.02,[0.01:0.03],1,0.335,0.74,5.93,[0.01:27.95],1,0.253,0.381,-4.73,[-4.99:-4.47],1,0.259,0.571,-10.74,[-10.92:-10.54],1,0.304,0.659,1.81,[1.54:2.08],1,0.486,0.677,0.6,[0.53:0.67],0,0.339,0.723,1,1,0.498958098089232,0.555766105683219,0.3,[-0.23:1],1,0.381,0.452,2.65,[2.17:3.2],1,0.467,0.555,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,6,2,1,1,37.3,65.2304,0.462,1.55813368,0.91206848,3.75625564875423,1.931561895,0.930815017
O=C(O)C(C)(C)C[C@@H]1C[C@@H](CC1)CCC(C)C,"cyclopentane,Custom_52,Custom_13",1437,"cyclopentane,Custom_52,Custom_13",0,1,0.261,0.591,0,1,0.533,0.745,0,1,0.301,0.587,0,1,0.839,0.887,0,1,0.406,0.703,0,1,0.42,0.669,0,1,4,5,5705,[3200:10000],1,0.692,0.627,1,0.29411765,2,0,0,1,0,6,0,-1,240.385,0,522.853,448.741,74.112,0,0,912.81,1,2,0,0.0038252,0.8703738,26.524,7.492,10.767,3.593,4.149,-4.082,-3.224,-1.822,497.394,-0.45,295.772,-2.309,0,0,0,0.298,3,100,0,0,42.148,2,0,0,5,0,5,5,17,0.0976264989724196,0.05,[0.01:0.12],1,0.324,0.663,5.9,[0.01:27.94],1,0.255,0.382,-4.72,[-4.98:-4.46],1,0.261,0.572,-10.74,[-10.92:-10.54],1,0.304,0.659,1.82,[1.55:2.09],1,0.531,0.693,0.64,[0.52:0.76],0,0.333,0.689,1,1,0.502754398663166,0.557664255970186,-0.16,[-0.39:0.07],1,0.394,0.629,2.65,[2.17:3.19],1,0.465,0.555,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,6,2,1,1,37.3,66.1908,0.462,1.55813368,0.91206848,3.75625564875423,1.931561895,0.930815017
O=C(O)C(C)(C)C[C@@H](CC1)C[C@@H]1[C@@H](C)C(C)C,"cyclopentane,Custom_52,Custom_14",1438,"cyclopentane,Custom_52,Custom_14",1,1,0.307,0.557,0,1,0.494,0.725,1,1,0.302,0.607,0,1,0.868,0.893,0,1,0.415,0.691,0,1,0.388,0.662,0,1,3,5,2850,[1600:5100],1,0.616,0.594,1,0.29411765,2,0,0,1,0,5,0,-1,240.385,0,492.991,434.653,58.338,0,0,875.277,1,2,0,0.0040569,0.8976144,25.664,7.169,10.459,3.634,4.023,-3.702,-3.224,-1.381,701.915,-0.221,429.18,-2.115,0,0,0,0.242,3,100,0,0,36.735,2,0,0,5,0,5,5,17,0.36659951903959,0.02,[0.01:0.03],1,0.338,0.738,5.74,[0.01:26.3],1,0.247,0.397,-4.72,[-4.97:-4.47],1,0.263,0.574,-10.74,[-10.92:-10.54],1,0.302,0.658,1.81,[1.54:2.08],1,0.516,0.687,0.6,[0.53:0.67],0,0.339,0.723,1,1,0.479819933195303,0.546197023236255,0.26,[-0.23:0.75],1,0.345,0.525,2.96,[2.34:3.58],1,0.455,0.528,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,5,2,1,1,37.3,65.8225,0.423,1.55813368,0.91206848,3.45484486000851,1.931561895,0.930815017
O=C(O)C(C)(C)C[C@@H]1C[C@@H](CC1)CC(C)(C)C,"cyclopentane,Custom_52,Custom_15",1439,"cyclopentane,Custom_52,Custom_15",1,1,0.575,0.648,0,1,0.445,0.66,1,1,0.618,0.768,0,1,0.424,0.712,0,1,0.387,0.668,0,1,0.356,0.641,0,1,3,5,3135,[1800:5600],1,0.596,0.693,1,0.29411765,2,0,0,1,0,5,0,-1,240.385,0,477.496,413.1,64.395,0,0,864.015,1,2,0,0.0041885,0.9187761,25.213,7.243,10.566,3.638,3.914,-3.422,-3.224,-1.039,614.949,-0.246,372.004,-2.226,0,0,0,0.215,3,100,0,0,36.735,2,0,0,5,0,5,5,17,0.5407845122785,0.05,[0.01:0.12],1,0.313,0.661,6.21,[0.01:28.15],1,0.247,0.382,-4.58,[-4.86:-4.33],1,0.273,0.57,-10.81,[-10.96:-10.63],1,0.295,0.65,1.83,[1.56:2.1],1,0.509,0.686,0.64,[0.52:0.76],0,0.347,0.693,1,1,0.492356820176666,0.552465466726936,-0.1,[-0.33:0.13],1,0.374,0.612,2.66,[2.17:3.21],1,0.45,0.546,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,5,2,1,1,37.3,66.9008,0.422,1.55813368,0.91206848,3.49623754516674,1.931561895,0.930815017
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O=C(O)C(C)(C)C[C@@H](CC1)C[C@@H]1[C@@H](C)CCCC,"cyclopentane,Custom_52,Custom_18",1442,"cyclopentane,Custom_52,Custom_18",1,1,0.22,0.499,0,1,0.451,0.704,1,1,0.251,0.49,0,1,0.837,0.873,0,1,0.414,0.659,0,1,0.398,0.666,0,1,3,5,3494,[2000:6200],1,0.442,0.589,1,0.27777778,2,0,0,1,0,7,0,-1,254.412,0,523.783,464.367,59.416,0,0,933.592,1,2,0,0.0038184,0.8819651,26.714,7.645,10.685,3.274,4.386,-3.936,-3.511,-1.634,685.578,-0.368,418.393,-1.942,0,0,0,0.316,3,100,0,0,36.858,2,0,0,5,0,5,5,18,0.336425042560853,0.02,[0.01:0.03],1,0.339,0.741,19.74,[10.12:39.32],1,0.246,0.508,-4.74,[-4.99:-4.49],1,0.248,0.569,-10.81,[-10.96:-10.63],1,0.292,0.649,1.81,[1.54:2.08],1,0.529,0.694,0.6,[0.53:0.67],0,0.324,0.718,1,1,0.478360386937074,0.54546725010714,0.41,[-0.23:1.12],1,0.376,0.45,3.32,[2.52:4.12],1,0.409,0.472,254.2245802,48,18,16,2,0,0,1,0,0.9375,7,2,1,1,37.3,67.7284,0.462,1.593914179,0.920477205,3.54332290064691,1.947634956,0.938364401
O=C(O)C(C)(C)C[C@@H]1C[C@@H](CC1)C[C@@H](C)CCC,"cyclopentane,Custom_52,Custom_19",1443,"cyclopentane,Custom_52,Custom_19",0,1,0.213,0.537,0,1,0.491,0.724,1,1,0.287,0.544,0,1,0.832,0.9,0,1,0.417,0.694,0,1,0.382,0.641,0,1,3,5,3494,[2000:6200],1,0.434,0.58,1,0.27777778,2,0,0,1,0,7,0,-1,254.412,0,537.067,481.896,55.17,0,0,952.976,1,2,0,0.0037239,0.8720168,27.489,7.752,10.82,3.277,4.537,-4.178,-3.511,-1.795,752.174,-0.342,462.49,-1.864,0,0,0,0.368,3,100,0,0,36.735,2,0,0,5,0,5,5,18,0.230600052264177,0.02,[0.01:0.03],1,0.327,0.737,19.83,[10.12:39.46],1,0.247,0.508,-4.74,[-4.99:-4.49],1,0.249,0.568,-10.81,[-10.96:-10.63],1,0.292,0.649,1.82,[1.56:2.08],1,0.564,0.706,0.6,[0.53:0.67],0,0.332,0.721,1,1,0.490096150919361,0.551335132098284,0.48,[-0.23:1.19],1,0.382,0.446,3.12,[2.33:3.91],1,0.405,0.514,254.2245802,48,18,16,2,0,0,1,0,0.9375,7,2,1,1,37.3,69.6822,0.462,1.593914179,0.920477205,3.54332290064691,1.947634956,0.938364401
O=C(O)C(C)(C)C[C@@H]1C[C@@H](CC1)CC[C@H](C)CC,"cyclopentane,Custom_52,Custom_20",1444,"cyclopentane,Custom_52,Custom_20",1,1,0.263,0.519,0,1,0.451,0.704,1,1,0.289,0.545,0,1,0.499,0.75,0,1,0.415,0.694,0,1,0.722,0.818,0,1,4,5,5905,[3300:11000],1,0.527,0.599,1,0.27777778,2,0,0,1,0,7,0,-1,254.412,0,548.964,473.326,75.638,0,0,966.675,1,2,0,0.0036432,0.8612748,28.038,7.983,11.258,3.445,4.482,-4.396,-3.511,-1.969,481.088,-0.538,285.305,-2.241,0,0,0,0.404,3,100,0,0,42.333,2,0,0,5,0,5,5,18,0.0586488607604866,0.02,[0.01:0.03],1,0.323,0.736,6.23,[0.01:28.02],1,0.246,0.382,-4.73,[-4.98:-4.48],1,0.245,0.568,-10.81,[-10.96:-10.63],1,0.292,0.649,1.82,[1.56:2.08],1,0.581,0.713,0.6,[0.53:0.67],0,0.326,0.719,1,1,0.494766284145302,0.553670198711254,0.78,[0.12:1.44],1,0.389,0.46,3.19,[2.42:3.96],1,0.403,0.535,254.2245802,48,18,16,2,0,0,1,0,0.9375,7,2,1,1,37.3,69.2686,0.462,1.593914179,0.920477205,3.77121990194953,1.947634956,0.938364401
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CC[C@@](C)(C(=O)O)[C@@H]1C[C@@H](CC1)C[C@@H](C)C(C)C,"cyclopentane,Custom_54,Custom_23",1497,"cyclopentane,Custom_54,Custom_23",0,1,0.247,0.566,0,1,0.532,0.744,1,1,0.251,0.524,0,1,0.523,0.68,0,1,0.421,0.698,0,1,0.396,0.651,0,1,4,5,5323,[3000:9500],1,0.471,0.581,1,0.27777778,2,0,0,1,0,6,0,-1,254.412,0,521.317,460.933,60.383,0,0,933.183,1,2,0,0.0038364,0.8858794,27.339,7.667,11.011,3.496,4.377,-4.054,-3.511,-1.571,671.251,-0.311,408.951,-2.056,0,0,0,0.358,3,100,0,0,36.412,2,0,0,5,0,5,5,18,0.197328245277455,0.02,[0.01:0.03],1,0.348,0.742,4.83,[0.01:25.06],1,0.244,0.403,-4.56,[-4.75:-4.37],1,0.242,0.603,-10.81,[-10.96:-10.63],1,0.29,0.648,1.82,[1.56:2.08],1,0.575,0.711,0.54,[0.4:0.68],0,0.347,0.69,1,1,0.4363091625001,0.524441637888653,0.71,[0.05:1.37],1,0.348,0.445,3.34,[2.71:3.97],1,0.41,0.515,254.2245802,48,18,16,2,0,0,1,0,0.9375,6,2,1,1,37.3,71.5518,0.423,1.593914179,0.920477205,3.72615646617275,1.947634956,0.938364401
CC[C@@](C)(C(=O)O)[C@@H]1C[C@@H](CC1)C(C)(C)CCC,"cyclopentane,Custom_54,Custom_24",1498,"cyclopentane,Custom_54,Custom_24",0,1,0.299,0.533,0,1,0.36,0.618,0,1,0.573,0.749,0,1,0.432,0.655,0,1,0.82,0.875,0,1,0.414,0.664,0,1,4,5,5937,[3300:11000],1,0.52,0.587,1,0.27777778,2,0,0,1,0,6,0,-1,254.412,0,509.117,447.99,61.127,0,0,910.339,1,2,0,0.0039284,0.8922422,26.425,7.49,10.725,3.471,4.227,-3.832,-3.511,-1.468,660.437,-0.31,401.834,-2.07,0,0,0,0.295,3,100,0,0,39.069,2,0,0,5,0,5,5,18,0.318766039382628,0.02,[0.01:0.03],1,0.354,0.744,15.64,[10.12:34.17],1,0.237,0.518,-4.77,[-5.08:-4.46],1,0.246,0.53,-10.75,[-10.96:-10.54],1,0.284,0.638,1.82,[1.56:2.08],1,0.598,0.72,0.54,[0.4:0.68],0,0.356,0.693,0,1,0.412495566228586,0.488001946562439,0.77,[0.11:1.43],1,0.32,0.441,3.67,[3.18:4.14],1,0.412,0.556,254.2245802,48,18,16,2,0,0,1,0,0.9375,6,2,1,1,37.3,71.9538,0.422,1.593914179,0.920477205,3.77356704892606,1.947634956,0.938364401
CC[C@@](C)(C(=O)O)[C@@H]1C[C@@H](CC1)CC(C)(C)CC,"cyclopentane,Custom_54,Custom_25",1499,"cyclopentane,Custom_54,Custom_25",0,1,0.308,0.539,0,1,0.36,0.618,0,1,0.614,0.755,0,1,0.443,0.703,0,1,0.405,0.69,0,1,0.38,0.635,0,1,4,5,5514,[3100:9800],1,0.477,0.563,1,0.27777778,2,0,0,1,0,6,0,-1,254.412,0,504.974,441.188,63.786,0,0,907.411,1,2,0,0.0039606,0.8976332,26.308,7.512,10.772,3.479,4.191,-3.757,-3.511,-1.381,623.187,-0.326,377.394,-2.119,0,0,0,0.288,3,100,0,0,36.412,2,0,0,5,0,5,5,18,0.33866234424574,0.02,[0.01:0.03],1,0.337,0.738,4.91,[0.01:25.07],1,0.239,0.402,-4.69,[-4.93:-4.45],1,0.247,0.575,-10.75,[-10.96:-10.54],1,0.284,0.638,1.83,[1.57:2.09],1,0.616,0.726,0.56,[0.42:0.7],0,0.343,0.691,1,1,0.426659989106651,0.495084158001471,0.61,[-0.04:1.3],1,0.335,0.44,3.67,[3.18:4.14],1,0.411,0.555,254.2245802,48,18,16,2,0,0,1,0,0.9375,6,2,1,1,37.3,72.6131,0.422,1.593914179,0.920477205,3.74146676176975,1.947634956,0.938364401
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C1CC[C@H](CC(=O)O)[C@H]1C(C)(C)C,"cyclopentane,Custom_38,Custom_9",1508,"cyclopentane,Custom_38,Custom_9",1,1,0.328,0.535,0,1,0.451,0.71,1,1,0.314,0.631,0,1,0.433,0.701,0,1,0.312,0.656,0,1,0.279,0.617,0,1,4,5,8886,[5000:16000],1,0.442,0.761,1,0.38461538,0,0,0,1,0,3,0,-1,184.278,0,393.957,301.043,92.913,0,0,678.062,1,2,0,0.0050767,0.9474642,19.056,5.897,8.909,4.072,2.545,-2.253,-2.095,-0.575,329.915,-0.307,189.774,-2.944,0,0,1,-0.202,3,86.919,0,0,46.108,2,0,0,5,0,5,5,13,1.17128050944523,0.08,[0:0.16],1,0.371,0.668,0.28,[0.01:22.61],1,0.316,0.377,-4.58,[-4.69:-4.44],1,0.293,0.641,-10.88,[-11.02:-10.74],1,0.434,0.734,0.5,[0.36:0.64],1,0.402,0.711,0.57,[0.49:0.65],0,0.338,0.715,1,1,0.488116827014185,0.550345470145696,-0.4,[-0.71:-0.09],1,0.378,0.637,1.88,[1.47:2.29],1,0.531,0.619,184.14632988,33,13,11,2,0,0,1,0,0.909090909090909,3,2,1,0,37.3,49.0862,0.501,1.51144473,0.911254172,3.94870630890485,1.900006411,0.927141668
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C1CC[C@H](CC(=O)O)[C@H]1[C@H](C)CCC,"cyclopentane,Custom_38,Custom_11",1510,"cyclopentane,Custom_38,Custom_11",0,1,0.32,0.631,0,1,0.531,0.727,0,1,0.428,0.68,0,1,0.454,0.712,0,1,0.435,0.712,0,1,0.715,0.839,0,1,4,5,8926,[5000:16000],1,0.599,0.515,1,0.35714286,1,0,0,1,0,5,0,-1,198.305,0,455.339,359.544,95.795,0,0,766.672,1,2,0,0.0043923,0.8896858,21.318,6.317,9.323,3.798,3.071,-3.022,-2.374,-1.509,309.793,-0.545,177.295,-2.805,0,0,1,-0.059,3,89.509,0,0,48.431,2,0,0,5,0,5,5,14,0.295286046182351,0.03,[0.02:0.04],1,0.398,0.775,0.27,[0.01:22.59],1,0.325,0.381,-4.66,[-4.88:-4.44],1,0.319,0.605,-10.88,[-11.02:-10.74],1,0.427,0.732,0.81,[0.26:1.52],1,0.346,0.538,0.55,[0.49:0.6],0,0.326,0.728,1,1,0.503186813138538,0.597084909381795,-0.32,[-0.6:-0.04],1,0.406,0.649,2.08,[1.79:2.37],1,0.563,0.672,198.161979944,36,14,12,2,0,0,1,0,0.916666666666667,5,2,1,0,37.3,50.9867,0.541,1.51144473,0.911254172,3.95065688250451,1.900006411,0.927141668
O=C(O)C[C@@H]1[C@H](CCC1)C[C@H](C)CC,"cyclopentane,Custom_38,Custom_12",1511,"cyclopentane,Custom_38,Custom_12",0,1,0.361,0.651,0,1,0.571,0.747,0,1,0.425,0.68,0,1,0.455,0.707,0,1,0.398,0.699,0,1,0.35,0.662,0,1,4,5,8926,[5000:16000],1,0.554,0.497,1,0.35714286,1,0,0,1,0,5,0,-1,198.305,0,457.789,359.439,98.351,0,0,773.869,1,2,0,0.0043688,0.8904528,21.606,6.413,9.481,3.821,3.099,-3.066,-2.374,-1.497,292.983,-0.565,166.919,-2.852,0,0,1,-0.039,3,89.241,0,0,48.79,2,0,0,5,0,5,5,14,0.239368753145604,0.02,[0.01:0.03],1,0.412,0.781,0.24,[0.01:22.21],1,0.335,0.389,-4.61,[-4.87:-4.35],1,0.288,0.579,-10.88,[-11.02:-10.74],1,0.428,0.732,0.82,[0.26:1.54],1,0.343,0.534,0.55,[0.49:0.6],0,0.322,0.727,1,1,0.531013397035057,0.765506698517529,-0.48,[-0.82:-0.14],1,0.354,0.623,2.08,[1.79:2.37],1,0.556,0.671,198.161979944,36,14,12,2,0,0,1,0,0.916666666666667,5,2,1,0,37.3,51.4003,0.541,1.51144473,0.911254172,3.95065688250451,1.900006411,0.927141668
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C1CC[C@H](CC(=O)O)[C@H]1[C@H](C)C(C)C,"cyclopentane,Custom_38,Custom_14",1513,"cyclopentane,Custom_38,Custom_14",0,1,0.296,0.629,0,1,0.531,0.727,0,1,0.776,0.813,0,1,0.447,0.708,0,1,0.374,0.678,0,1,0.335,0.645,0,1,4,5,8882,[5000:16000],1,0.513,0.485,1,0.35714286,1,0,0,1,0,4,0,-1,198.305,0,418.584,325.671,92.913,0,0,723.372,1,2,0,0.004778,0.9310149,20.227,6.193,9.213,3.911,2.825,-2.527,-2.374,-0.841,329.915,-0.392,189.774,-2.848,0,0,1,-0.126,3,88.562,0,0,46.108,2,0,0,5,0,5,5,14,0.83655660393521,0.05,[0:0.11],1,0.384,0.694,1.02,[0.01:22.97],1,0.31,0.369,-4.66,[-4.88:-4.44],1,0.308,0.601,-10.88,[-11.01:-10.75],1,0.422,0.731,0.49,[0.35:0.63],1,0.363,0.697,0.55,[0.49:0.6],0,0.33,0.73,1,1,0.491108428949018,0.591045717287035,-0.78,[-0.86:-0.67],0,0.233,0.595,2.02,[1.69:2.35],1,0.556,0.658,198.161979944,36,14,12,2,0,0,1,0,0.916666666666667,4,2,1,0,37.3,51.9924,0.502,1.51144473,0.911254172,3.94851076883766,1.900006411,0.927141668
O=C(O)C[C@@H]1[C@@H](CC(C)(C)C)CCC1,"cyclopentane,Custom_38,Custom_15",1514,"cyclopentane,Custom_38,Custom_15",0,1,0.243,0.591,0,1,0.453,0.709,0,1,0.302,0.62,0,1,0.45,0.71,0,1,0.331,0.661,0,1,0.292,0.636,0,1,4,5,8961,[5000:16000],1,0.581,0.545,1,0.35714286,0,0,0,1,0,4,0,-1,198.305,0,441.482,343.042,98.44,0,0,752.296,1,2,0,0.0045302,0.9061028,21.384,6.313,9.559,4.003,2.985,-2.936,-2.374,-1.244,292.408,-0.477,166.566,-2.95,0,0,1,-0.052,3,88.561,0,0,48.785,2,0,0,5,0,5,5,14,0.257920950681522,0.05,[0:0.12],1,0.356,0.672,0.29,[0.01:22.88],1,0.311,0.373,-4.64,[-4.88:-4.4],1,0.277,0.586,-10.88,[-11.01:-10.75],1,0.404,0.725,0.5,[0.36:0.64],1,0.362,0.695,0.57,[0.49:0.65],0,0.329,0.712,1,1,0.508039426258661,0.599511215941857,0.03,[-0.84:1.2],0,0.222,0.316,2.02,[1.69:2.35],1,0.535,0.652,198.161979944,36,14,12,2,0,0,1,0,0.916666666666667,4,2,1,0,37.3,53.0707,0.501,1.51144473,0.911254172,3.95235647732379,1.900006411,0.927141668
C1CC[C@H](CC(=O)O)[C@H]1C(C)(C)CC,"cyclopentane,Custom_38,Custom_16",1515,"cyclopentane,Custom_38,Custom_16",0,1,0.333,0.573,0,1,0.533,0.749,0,1,0.308,0.623,0,1,0.477,0.724,0,1,0.352,0.676,0,1,0.312,0.635,0,1,4,5,8960,[5000:16000],1,0.602,0.54,1,0.35714286,1,0,0,1,0,4,0,-1,198.305,0,411.353,318.44,92.913,0,0,717.786,1,2,0,0.004862,0.9424969,20.003,6.24,9.21,3.893,2.792,-2.398,-2.374,-0.655,329.915,-0.375,189.774,-2.848,0,0,1,-0.138,3,88.37,0,0,46.108,2,0,0,5,0,5,5,14,1.12493092737042,0.05,[0:0.12],1,0.361,0.674,1.2,[0.01:23.23],1,0.297,0.365,-4.66,[-4.88:-4.44],1,0.295,0.598,-10.88,[-11.01:-10.75],1,0.404,0.725,0.5,[0.36:0.64],1,0.363,0.698,0.57,[0.49:0.65],0,0.334,0.714,1,1,0.469756652064498,0.541165382670852,-0.63,[-0.86:-0.33],0,0.252,0.585,2.15,[1.82:2.48],1,0.549,0.658,198.161979944,36,14,12,2,0,0,1,0,0.916666666666667,4,2,1,0,37.3,53.9346,0.501,1.51144473,0.911254172,3.95230800966213,1.900006411,0.927141668
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O=C(O)C[C@@H]1[C@H](CCC1)CC[C@@H](C)CC,"cyclopentane,Custom_38,Custom_20",1519,"cyclopentane,Custom_38,Custom_20",0,1,0.321,0.66,0,1,0.483,0.705,0,1,0.374,0.661,0,1,0.799,0.874,0,1,0.416,0.684,0,1,0.383,0.679,0,1,4,5,5095,[2900:9100],1,0.434,0.513,1,0.33333333,1,0,0,1,0,6,0,-1,212.331,0,488.77,390.42,98.351,0,0,831.651,1,2,0,0.0040919,0.8750262,23.276,6.89,9.953,3.675,3.463,-3.463,-2.655,-1.747,292.983,-0.654,166.919,-2.756,0,0,1,0.074,3,91.376,0,0,48.79,2,0,0,5,0,5,5,15,0.128278230930985,0.02,[0.01:0.03],1,0.377,0.77,0.96,[0.01:22.78],1,0.31,0.368,-4.62,[-4.88:-4.36],1,0.279,0.576,-10.88,[-11.02:-10.74],1,0.398,0.722,1.89,[1.54:2.24],1,0.379,0.612,0.57,[0.49:0.65],0,0.318,0.708,1,1,0.522793635984938,0.761396817992469,-0.27,[-0.43:-0.11],1,0.452,0.691,2.36,[2.11:2.61],1,0.557,0.71,212.177630008,39,15,13,2,0,0,1,0,0.923076923076923,6,2,1,1,37.3,55.4385,0.541,1.51144473,0.911254172,3.70714418834245,1.900006411,0.927141668
O=C(O)C[C@@H]1[C@H](CCC1)CCCC(C)C,"cyclopentane,Custom_38,Custom_21",1520,"cyclopentane,Custom_38,Custom_21",0,1,0.63,0.803,0,1,0.483,0.705,0,1,0.378,0.663,0,1,0.586,0.743,0,1,0.422,0.692,0,1,0.396,0.682,0,1,4,5,5095,[2900:9100],1,0.43,0.516,1,0.33333333,1,0,0,1,0,6,0,-1,212.331,0,495.916,397.565,98.351,0,0,841.087,1,2,0,0.0040329,0.8689296,23.654,6.949,10.042,3.693,3.522,-3.592,-2.655,-1.845,292.983,-0.667,166.919,-2.756,0,0,1,0.099,3,91.721,0,0,48.79,2,0,0,5,0,5,5,15,0.0952008402214355,0.06,[0.01:0.12],1,0.368,0.692,0.27,[0.01:22.85],1,0.313,0.374,-4.62,[-4.88:-4.36],1,0.282,0.578,-10.88,[-11.02:-10.74],1,0.398,0.722,1.91,[1.55:2.27],1,0.383,0.606,0.57,[0.49:0.65],0,0.321,0.709,1,1,0.522398999092774,0.761199499546387,-0.27,[-0.43:-0.11],1,0.461,0.694,2.36,[2.11:2.61],1,0.547,0.707,212.177630008,39,15,13,2,0,0,1,0,0.923076923076923,6,2,1,1,37.3,55.2723,0.541,1.51144473,0.911254172,3.70714418834245,1.900006411,0.927141668
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O=C(O)[C@@H](C)[C@@H]1[C@@H]([C@H](C)C(C)C)CCC1,"cyclopentane,,Custom_14",1563,"cyclopentane,,Custom_14",0,1,0.294,0.615,0,1,0.522,0.725,0,1,0.455,0.659,0,1,0.526,0.726,0,1,0.393,0.691,0,1,0.342,0.654,0,1,4,5,8818,[5000:16000],1,0.483,0.627,1,0.33333333,1,0,0,1,0,4,0,-1,212.331,0,429.584,362.754,66.83,0,0,755.408,1,2,0,0.0046557,0.933766,21.509,6.344,9.305,3.76,3.273,-2.881,-2.655,-0.796,583.11,-0.189,351.23,-2.367,0,0,1,-0.038,3,95.61,0,0,39.403,2,0,0,5,0,5,5,15,1.72457091906472,0.02,[0.01:0.03],1,0.362,0.756,1.34,[0.01:23.39],1,0.289,0.363,-4.6,[-4.86:-4.34],1,0.302,0.586,-10.88,[-11.02:-10.74],1,0.387,0.719,1.91,[1.55:2.27],1,0.375,0.604,0.55,[0.49:0.6],0,0.351,0.736,1,1,0.4870343702616,0.525271348578946,-0.3,[-0.63:0.03],1,0.292,0.569,2.21,[1.91:2.48],1,0.488,0.652,212.177630008,39,15,13,2,0,0,1,0,0.923076923076923,4,2,1,1,37.3,56.7973,0.463,1.51144473,0.911254172,3.9453700944903,1.900006411,0.927141668
O=C(O)[C@@H](C)[C@@H]1[C@@H](CC(C)(C)C)CCC1,"cyclopentane,,Custom_15",1564,"cyclopentane,,Custom_15",0,1,0.28,0.628,0,1,0.495,0.728,0,1,0.292,0.614,0,1,0.451,0.715,0,1,0.38,0.69,0,1,0.377,0.666,0,1,4,5,8856,[5000:16000],1,0.489,0.708,1,0.33333333,1,0,0,1,0,4,0,-1,212.331,0,442.814,376.161,66.653,0,0,774.321,1,2,0,0.0045166,0.9209258,22.266,6.421,9.498,3.79,3.366,-3.11,-2.655,-1.004,585.368,-0.202,352.701,-2.364,0,0,1,0.011,3,96.188,0,0,41.859,2,0,0,5,0,5,5,15,1.00726577066756,0.06,[0.01:0.13],1,0.35,0.67,1.3,[0.01:23.4],1,0.29,0.362,-4.63,[-4.88:-4.38],1,0.314,0.598,-10.79,[-10.96:-10.62],1,0.365,0.686,1.81,[1.54:2.08],1,0.401,0.648,0.6,[0.53:0.67],0,0.343,0.724,1,1,0.511678955407732,0.562126534342469,-0.44,[-0.82:-0.06],1,0.312,0.567,2.22,[1.84:2.6],1,0.486,0.616,212.177630008,39,15,13,2,0,0,1,0,0.923076923076923,4,2,1,1,37.3,57.8756,0.462,1.51144473,0.911254172,3.94723760787067,1.900006411,0.927141668
C1CC[C@H]([C@H](C)C(=O)O)[C@H]1C(C)(C)CC,"cyclopentane,,Custom_16",1565,"cyclopentane,,Custom_16",0,1,0.3,0.533,0,1,0.535,0.748,0,1,0.289,0.613,0,1,0.475,0.714,0,1,0.421,0.696,0,1,0.357,0.648,0,1,4,5,8856,[5000:16000],1,0.491,0.704,1,0.33333333,2,0,0,1,0,4,0,-1,212.331,0,403.377,341.097,62.281,0,0,736.852,1,2,0,0.0049581,0.9780788,20.766,6.535,9.255,3.666,3.205,-2.451,-2.655,-0.079,644.011,-0.112,391.043,-2.283,0,0,1,-0.079,3,95.984,0,0,38.79,2,0,0,5,0,5,5,15,6.12221611499881,0.05,[0:0.12],1,0.35,0.667,1.48,[0.01:23.45],1,0.277,0.361,-4.67,[-4.9:-4.44],1,0.296,0.596,-10.79,[-10.96:-10.62],1,0.365,0.686,1.81,[1.54:2.08],1,0.397,0.647,0.57,[0.49:0.65],0,0.359,0.722,1,1,0.474391270525693,0.54348269190145,-0.29,[-0.62:0.04],1,0.287,0.567,2.32,[1.96:2.68],1,0.481,0.622,212.177630008,39,15,13,2,0,0,1,0,0.923076923076923,4,2,1,1,37.3,58.7395,0.462,1.51144473,0.911254172,3.94723760787067,1.900006411,0.927141668
O=C(O)[C@@H](C)[C@@H]1[C@H](CCC1)CCCCCC,"cyclopentane,,Custom_17",1566,"cyclopentane,,Custom_17",0,1,0.294,0.647,0,1,0.476,0.703,0,1,0.4,0.674,0,1,0.465,0.717,0,1,0.428,0.685,0,1,0.412,0.655,0,1,4,5,6232,[3500:11000],1,0.777,0.545,1,0.3125,1,0,0,1,0,7,0,-1,226.358,0,519.995,443.13,76.865,0,0,886.453,1,2,0,0.0038462,0.8582288,24.827,7.195,10.006,3.384,3.959,-3.867,-2.939,-2.018,468.372,-0.554,277.163,-2.264,0,0,1,0.18,3,100,0,0,41.34,2,0,0,5,0,5,5,16,0.1673321743681,0.02,[0.01:0.03],1,0.396,0.776,1.2,[0.01:23],1,0.293,0.364,-4.62,[-4.9:-4.34],1,0.275,0.565,-10.88,[-11.02:-10.74],1,0.378,0.715,1.95,[1.58:2.32],1,0.393,0.608,0.64,[0.52:0.76],0,0.343,0.692,1,1,0.514331525634859,0.602657265629956,-0.27,[-0.43:-0.11],1,0.41,0.677,2.36,[2.12:2.6],1,0.528,0.703,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,7,2,1,1,37.3,55.9911,0.541,1.51144473,0.911254172,3.79462744466451,1.900006411,0.927141668
O=C(O)[C@@H](C)[C@@H]1[C@H](CCC1)[C@@H](C)CCCC,"cyclopentane,,Custom_18",1567,"cyclopentane,,Custom_18",0,1,0.302,0.651,0,1,0.476,0.703,0,1,0.381,0.665,0,1,0.573,0.758,0,1,0.422,0.706,0,1,0.401,0.657,0,1,4,5,5526,[3100:9800],1,0.536,0.604,1,0.3125,1,0,0,1,0,6,0,-1,226.358,0,486.081,419.354,66.726,0,0,845.601,1,2,0,0.0041145,0.88968,23.834,6.893,9.785,3.454,3.774,-3.414,-2.939,-1.51,584.433,-0.36,352.092,-2.173,0,0,1,0.116,3,100,0,0,41.884,2,0,0,5,0,5,5,16,0.585428279516823,0.02,[0.01:0.03],1,0.362,0.769,1.43,[0.01:23.21],1,0.284,0.363,-4.68,[-4.92:-4.44],1,0.287,0.588,-10.79,[-10.96:-10.62],1,0.355,0.682,1.89,[1.54:2.24],1,0.397,0.618,0.55,[0.49:0.6],0,0.344,0.734,1,1,0.49506488210916,0.553819497693183,0.23,[-0.23:0.97],1,0.376,0.446,2.36,[2.12:2.6],1,0.536,0.707,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,6,2,1,1,37.3,58.7032,0.502,1.51144473,0.911254172,3.74241088058049,1.900006411,0.927141668
O=C(O)[C@@H](C)[C@@H]1[C@H](CCC1)C[C@@H](C)CCC,"cyclopentane,,Custom_19",1568,"cyclopentane,,Custom_19",0,1,0.319,0.65,0,1,0.516,0.723,0,1,0.384,0.661,0,1,0.456,0.707,0,1,0.411,0.682,0,1,0.395,0.67,0,1,4,5,5526,[3100:9800],1,0.552,0.607,1,0.3125,1,0,0,1,0,6,0,-1,226.358,0,488.365,421.265,67.1,0,0,852.165,1,2,0,0.0040953,0.8900954,24.097,6.962,9.896,3.462,3.814,-3.455,-2.939,-1.503,579.679,-0.363,348.997,-2.18,0,0,1,0.134,3,100,0,0,41.899,2,0,0,5,0,5,5,16,0.523864290051929,0.02,[0.01:0.03],1,0.36,0.768,1.35,[0.01:23.21],1,0.289,0.363,-4.61,[-4.88:-4.34],1,0.288,0.575,-10.79,[-10.96:-10.62],1,0.355,0.682,1.87,[1.53:2.21],1,0.405,0.625,0.55,[0.49:0.6],0,0.334,0.731,1,1,0.512670164763961,0.562622139020584,-0.17,[-0.36:0.02],1,0.379,0.635,2.36,[2.12:2.6],1,0.537,0.707,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,6,2,1,1,37.3,60.657,0.502,1.51144473,0.911254172,3.74241088058049,1.900006411,0.927141668
O=C(O)[C@@H](C)[C@@H]1[C@H](CCC1)CC[C@@H](C)CC,"cyclopentane,,Custom_20",1569,"cyclopentane,,Custom_20",0,1,0.27,0.635,0,1,0.476,0.703,0,1,0.382,0.66,0,1,0.58,0.742,0,1,0.427,0.685,0,1,0.4,0.667,0,1,4,5,5526,[3100:9800],1,0.641,0.623,1,0.3125,1,0,0,1,0,6,0,-1,226.358,0,493.402,420.58,72.822,0,0,859.62,1,2,0,0.0040535,0.8861386,24.395,7.051,10.069,3.513,3.821,-3.547,-2.939,-1.567,511.599,-0.416,304.912,-2.286,0,0,1,0.154,3,100,0,0,41.899,2,0,0,5,0,5,5,16,0.333037331098387,0.02,[0.01:0.03],1,0.358,0.758,1.33,[0.01:23.21],1,0.289,0.363,-4.61,[-4.88:-4.34],1,0.279,0.573,-10.79,[-10.96:-10.62],1,0.355,0.682,1.85,[1.51:2.19],1,0.409,0.628,0.6,[0.53:0.67],0,0.339,0.723,1,1,0.51716339906848,0.604073202346767,-0.01,[-0.37:0.42],1,0.4,0.588,2.36,[2.12:2.6],1,0.534,0.707,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,6,2,1,1,37.3,60.2434,0.502,1.51144473,0.911254172,3.74241088058049,1.900006411,0.927141668
O=C(O)[C@@H](C)[C@@H]1[C@H](CCC1)CCCC(C)C,"cyclopentane,,Custom_21",1570,"cyclopentane,,Custom_21",0,1,0.33,0.655,0,1,0.516,0.723,0,1,0.386,0.662,0,1,0.499,0.717,0,1,0.43,0.691,0,1,0.419,0.671,0,1,4,5,5508,[3100:9800],1,0.747,0.636,1,0.3125,1,0,0,1,0,6,0,-1,226.358,0,500.547,427.726,72.822,0,0,869.056,1,2,0,0.0039956,0.8798695,24.773,7.107,10.158,3.53,3.88,-3.676,-2.939,-1.668,511.599,-0.425,304.912,-2.286,0,0,1,0.178,3,100,0,0,41.899,2,0,0,5,0,5,5,16,0.247099227307629,0.02,[0.01:0.03],1,0.351,0.756,1.29,[0.01:23.17],1,0.291,0.363,-4.61,[-4.88:-4.34],1,0.284,0.576,-10.79,[-10.96:-10.62],1,0.355,0.682,1.81,[1.54:2.08],1,0.427,0.657,0.6,[0.53:0.67],0,0.34,0.723,1,1,0.51895409989595,0.604968552760501,-0.27,[-0.43:-0.11],1,0.414,0.679,2.36,[2.12:2.6],1,0.531,0.706,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,6,2,1,1,37.3,60.0772,0.502,1.51144473,0.911254172,3.74099393158489,1.900006411,0.927141668
O=C(O)[C@@H](C)[C@@H]1[C@H](CCC1)[C@@H](C)[C@@H](C)CC,"cyclopentane,,Custom_22",1571,"cyclopentane,,Custom_22",0,1,0.238,0.536,0,1,0.515,0.723,0,1,0.389,0.669,0,1,0.833,0.867,0,1,0.412,0.682,0,1,0.381,0.668,0,1,4,5,5048,[2800:9000],1,0.556,0.611,1,0.3125,1,0,0,1,0,5,0,-1,226.358,0,470.802,401.345,69.457,0,0,827.06,1,2,0,0.0042481,0.9050759,23.734,6.833,9.954,3.656,3.64,-3.301,-2.939,-1.26,550.604,-0.303,330.116,-2.32,0,0,1,0.11,3,100,0,0,41.591,2,0,0,5,0,5,5,16,0.54265671993364,0.02,[0.01:0.03],1,0.355,0.75,1.56,[0.01:23.32],1,0.276,0.362,-4.68,[-4.92:-4.44],1,0.286,0.589,-10.79,[-10.96:-10.62],1,0.348,0.679,1.88,[1.53:2.23],1,0.398,0.62,0.55,[0.49:0.6],0,0.342,0.734,1,1,0.469910241026951,0.541242177152079,0.42,[-0.23:1.16],1,0.324,0.427,2.35,[2.12:2.58],1,0.495,0.696,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,5,2,1,1,37.3,59.8751,0.463,1.51144473,0.911254172,3.70311934623608,1.900006411,0.927141668
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C1CC[C@H]([C@H](C)C(=O)O)[C@H]1C(C)(C)CCC,"cyclopentane,,Custom_24",1573,"cyclopentane,,Custom_24",1,1,0.261,0.531,0,1,0.534,0.747,1,1,0.281,0.608,0,1,0.481,0.688,0,1,0.732,0.857,0,1,0.406,0.633,0,1,4,5,5343,[3000:9500],1,0.516,0.581,1,0.3125,1,0,0,1,0,5,0,-1,226.358,0,440.165,377.885,62.281,0,0,799.116,1,2,0,0.0045437,0.9461407,22.616,6.829,9.729,3.534,3.521,-2.75,-2.939,-0.596,644.011,-0.202,391.043,-2.187,0,0,1,0.042,3,100,0,0,38.79,2,0,0,5,0,5,5,16,2.61690849254284,0.02,[0.01:0.03],1,0.342,0.746,1.69,[0.01:23.3],1,0.269,0.362,-4.68,[-4.92:-4.44],1,0.286,0.589,-10.83,[-10.97:-10.66],1,0.332,0.68,1.81,[1.54:2.08],1,0.439,0.661,0.55,[0.49:0.6],0,0.35,0.736,1,1,0.455919670417017,0.534246891847112,0.23,[-0.23:0.95],1,0.338,0.439,2.64,[2.17:3.18],1,0.492,0.566,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,5,2,1,1,37.3,62.0647,0.462,1.51144473,0.911254172,3.72778517418291,1.900006411,0.927141668
O=C(O)[C@@H](C)[C@@H]1[C@H](CCC1)CC(C)(C)CC,"cyclopentane,,Custom_25",1574,"cyclopentane,,Custom_25",0,1,0.355,0.584,0,1,0.534,0.747,0,1,0.321,0.633,0,1,0.498,0.707,0,1,0.404,0.689,0,1,0.377,0.67,0,1,4,5,5345,[3000:9500],1,0.485,0.585,1,0.3125,1,0,0,1,0,5,0,-1,226.358,0,461.638,394.537,67.1,0,0,814.841,1,2,0,0.0043324,0.913929,23.245,6.762,9.8,3.618,3.581,-3.136,-2.939,-1.117,579.679,-0.273,348.997,-2.276,0,0,1,0.078,3,100,0,0,41.899,2,0,0,5,0,5,5,16,0.877374699438378,0.05,[0.01:0.12],1,0.338,0.665,1.55,[0.01:23.38],1,0.275,0.361,-4.61,[-4.88:-4.34],1,0.292,0.578,-10.83,[-10.97:-10.66],1,0.332,0.68,1.81,[1.54:2.08],1,0.456,0.667,0.6,[0.53:0.67],0,0.335,0.722,1,1,0.496479563543126,0.554526838410166,-0.21,[-0.45:0.03],1,0.328,0.605,2.35,[2.11:2.59],1,0.498,0.694,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,5,2,1,1,37.3,62.724,0.462,1.51144473,0.911254172,3.7279477095448,1.900006411,0.927141668
O=C(O)[C@@H](C)[C@@H]1[C@H](CCC1)CCC(C)(C)C,"cyclopentane,,Custom_26",1575,"cyclopentane,,Custom_26",0,1,0.314,0.657,0,1,0.574,0.767,0,1,0.319,0.633,0,1,0.837,0.847,0,1,0.425,0.694,0,1,0.727,0.851,0,1,4,5,5346,[3000:9500],1,0.486,0.586,1,0.3125,1,0,0,1,0,5,0,-1,226.358,0,487.696,416.723,70.972,0,0,855.577,1,2,0,0.0041009,0.8936942,24.876,7.045,10.323,3.707,3.809,-3.606,-2.939,-1.445,532.685,-0.33,318.519,-2.347,0,0,1,0.186,3,100,0,0,41.899,2,0,0,5,0,5,5,16,0.251866372252808,0.05,[0.01:0.12],1,0.333,0.666,1.48,[0.01:23.39],1,0.28,0.361,-4.61,[-4.88:-4.34],1,0.291,0.578,-10.83,[-10.97:-10.66],1,0.332,0.68,1.82,[1.55:2.09],1,0.461,0.669,0.6,[0.53:0.67],0,0.339,0.723,1,1,0.512362693207067,0.562468403242137,-0.27,[-0.43:-0.11],1,0.421,0.681,2.35,[2.11:2.59],1,0.498,0.694,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,5,2,1,1,37.3,62.4382,0.462,1.51144473,0.911254172,3.72802895442052,1.900006411,0.927141668
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O=C(O)CCC[C@@H](CCC1)[C@H]1[C@H](C)CCC,"cyclopentane,Custom_43,Custom_11",1585,"cyclopentane,Custom_43,Custom_11",0,1,0.282,0.641,0,1,0.476,0.703,0,1,0.373,0.654,0,1,0.459,0.719,0,1,0.423,0.665,0,1,0.38,0.657,0,1,4,5,6238,[3500:11000],1,0.525,0.502,1,0.3125,1,0,0,1,0,7,0,-1,226.358,0,518.134,410.071,108.063,0,0,883.894,1,2,0,0.00386,0.8596519,24.725,7.396,10.49,3.592,3.727,-3.833,-2.939,-1.995,236.994,-0.833,132.725,-2.839,0,0,1,0.173,3,91.27,0,0,50.938,2,0,0,5,0,5,5,16,0.0481359163534045,0.03,[0.02:0.04],1,0.368,0.77,1.43,[0.01:23.18],1,0.271,0.36,-4.77,[-5.1:-4.44],1,0.267,0.52,-10.88,[-11.02:-10.74],1,0.362,0.709,1.89,[1.54:2.24],1,0.399,0.619,0.57,[0.49:0.65],0,0.292,0.699,1,1,0.495722103157794,0.747861051578897,-0.21,[-0.44:0.02],1,0.349,0.615,2.36,[2.12:2.6],1,0.53,0.703,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,7,2,1,1,37.3,58.3501,0.541,1.51144473,0.911254172,3.79504537042112,1.900006411,0.927141668
O=C(O)CCC[C@@H](CCC1)[C@H]1C[C@H](C)CC,"cyclopentane,Custom_43,Custom_12",1586,"cyclopentane,Custom_43,Custom_12",0,1,0.328,0.655,0,1,0.516,0.723,0,1,0.369,0.653,0,1,0.462,0.715,0,1,0.434,0.706,0,1,0.387,0.674,0,1,4,5,6238,[3500:11000],1,0.518,0.497,1,0.3125,1,0,0,1,0,7,0,-1,226.358,0,521.971,413.746,108.225,0,0,891.227,1,2,0,0.0038316,0.8580465,25.018,7.462,10.589,3.602,3.772,-3.903,-2.939,-2.021,236.159,-0.838,132.22,-2.842,0,0,1,0.193,3,91.508,0,0,50.88,2,0,0,5,0,5,5,16,0.0407023554152823,0.02,[0.01:0.03],1,0.379,0.771,1.38,[0.01:23.21],1,0.274,0.36,-4.67,[-4.9:-4.44],1,0.275,0.583,-10.88,[-11.02:-10.74],1,0.362,0.709,1.9,[1.54:2.26],1,0.395,0.616,0.57,[0.49:0.65],0,0.29,0.699,1,1,0.514252998202894,0.757126499101447,-0.22,[-0.45:0.01],1,0.357,0.62,2.36,[2.12:2.6],1,0.524,0.701,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,7,2,1,1,37.3,58.7637,0.541,1.51144473,0.911254172,3.79504537042112,1.900006411,0.927141668
O=C(O)CCC[C@@H](CCC1)[C@H]1CCC(C)C,"cyclopentane,Custom_43,Custom_13",1587,"cyclopentane,Custom_43,Custom_13",0,1,0.627,0.803,0,1,0.516,0.723,0,1,0.369,0.653,0,1,0.463,0.722,0,1,0.431,0.715,0,1,0.404,0.682,0,1,4,5,6238,[3500:11000],1,0.526,0.499,1,0.3125,1,0,0,1,0,7,0,-1,226.358,0,528.834,420.61,108.225,0,0,899.576,1,2,0,0.0037819,0.8521919,25.352,7.519,10.659,3.618,3.824,-4.028,-2.939,-2.116,236.159,-0.852,132.22,-2.842,0,0,1,0.215,3,91.814,0,0,50.88,2,0,0,5,0,5,5,16,0.030516449886597,0.02,[0.01:0.03],1,0.345,0.754,1.35,[0.01:23.21],1,0.276,0.36,-4.76,[-5.08:-4.44],1,0.273,0.524,-10.88,[-11.02:-10.74],1,0.362,0.709,1.81,[1.54:2.08],1,0.431,0.659,0.69,[0.48:0.91],0,0.289,0.602,1,1,0.530721571550091,0.765360785775045,-0.2,[-0.39:-0.01],1,0.394,0.646,2.36,[2.12:2.6],1,0.515,0.699,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,7,2,1,1,37.3,59.7241,0.541,1.51144473,0.911254172,3.79504537042112,1.900006411,0.927141668
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O=C(O)C(C)(C)[C@@H]1[C@H](CCC1)CCC(C)C,"cyclopentane,Custom_46,Custom_13",1662,"cyclopentane,Custom_46,Custom_13",1,1,0.27,0.501,0,1,0.494,0.727,1,1,0.319,0.632,0,1,0.443,0.693,0,1,0.418,0.703,0,1,0.397,0.668,0,1,4,5,5340,[3000:9500],1,0.504,0.582,1,0.3125,2,0,0,1,0,5,0,-1,226.358,0,478.645,414.875,63.771,0,0,840.652,1,2,0,0.0041785,0.8999714,24.278,6.89,10.029,3.636,3.765,-3.442,-2.939,-1.343,623.393,-0.263,377.528,-2.215,0,0,0,0.146,3,100,0,0,39.148,2,0,0,5,0,5,5,16,0.498472822698833,0.05,[0.01:0.12],1,0.347,0.67,1.51,[0.01:23.48],1,0.275,0.36,-4.55,[-4.74:-4.36],1,0.269,0.612,-10.82,[-10.97:-10.64],1,0.319,0.669,1.81,[1.54:2.08],1,0.454,0.665,0.64,[0.52:0.76],0,0.366,0.7,1,1,0.483197899186919,0.547886006232063,-0.01,[-0.37:0.42],1,0.389,0.584,2.35,[2.11:2.59],1,0.497,0.694,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,5,2,1,1,37.3,62.2063,0.462,1.51144473,0.911254172,3.72754125702856,1.900006411,0.927141668
O=C(O)C(C)(C)[C@@H]1[C@@H]([C@H](C)C(C)C)CCC1,"cyclopentane,Custom_46,Custom_14",1663,"cyclopentane,Custom_46,Custom_14",1,1,0.586,0.691,0,1,0.496,0.727,1,1,0.275,0.611,0,1,0.78,0.823,0,1,0.39,0.667,0,1,0.403,0.688,0,1,4,5,8845,[5000:16000],1,0.481,0.715,1,0.3125,2,0,0,1,0,4,0,-1,226.358,0,456.012,409.835,46.177,0,0,811.927,1,2,0,0.0043859,0.9229978,23.771,6.653,9.766,3.683,3.709,-3.197,-2.939,-0.97,915.389,-0.039,571.858,-1.986,0,0,0,0.114,3,100,0,0,30.108,2,0,0,5,0,5,5,16,1.48343902513363,0.05,[0.01:0.12],1,0.351,0.668,1.65,[0.01:23.59],1,0.263,0.357,-4.56,[-4.75:-4.37],1,0.27,0.613,-10.82,[-10.97:-10.64],1,0.319,0.669,1.81,[1.54:2.08],1,0.442,0.661,0.6,[0.53:0.67],0,0.368,0.733,1,1,0.45905630934855,0.511282318122421,0.44,[-0.23:1.19],1,0.321,0.424,2.67,[2.17:3.23],1,0.448,0.597,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,4,2,1,1,37.3,61.838,0.423,1.51144473,0.911254172,3.94669783724574,1.900006411,0.927141668
O=C(O)C(C)(C)[C@@H]1[C@@H](CC(C)(C)C)CCC1,"cyclopentane,Custom_46,Custom_15",1664,"cyclopentane,Custom_46,Custom_15",1,1,0.334,0.486,0,1,0.411,0.642,1,1,0.329,0.629,0,1,0.439,0.685,0,1,0.383,0.677,0,1,0.353,0.645,0,1,4,5,8961,[5000:16000],1,0.454,0.705,1,0.3125,2,0,0,1,0,4,0,-1,226.358,0,454.364,391.376,62.988,0,0,806.696,1,2,0,0.0044018,0.9223602,23.562,6.717,9.953,3.793,3.559,-3.167,-2.939,-0.981,634.14,-0.171,384.568,-2.296,0,0,0,0.1,3,100,0,0,39.148,2,0,0,5,0,5,5,16,0.778148038359447,0.05,[0.01:0.12],1,0.341,0.668,1.65,[0.01:23.58],1,0.262,0.357,-4.58,[-4.75:-4.41],1,0.285,0.633,-10.74,[-10.92:-10.54],1,0.31,0.661,1.82,[1.55:2.09],1,0.443,0.662,0.6,[0.53:0.67],0,0.351,0.727,1,1,0.471627657744884,0.517567992320588,-0.16,[-0.35:0.03],1,0.35,0.623,2.65,[2.17:3.19],1,0.449,0.6,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,4,2,1,1,37.3,62.9163,0.422,1.51144473,0.911254172,3.95235647732379,1.900006411,0.927141668
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O=C(O)C(C)(C)[C@@H]1[C@H](CCC1)C(C)(C)CCC,"cyclopentane,Custom_46,Custom_24",1673,"cyclopentane,Custom_46,Custom_24",0,1,0.297,0.55,0,1,0.445,0.66,0,1,0.279,0.608,0,1,0.431,0.673,0,1,0.431,0.68,0,1,0.37,0.646,0,1,4,5,5594,[3100:9900],1,0.596,0.686,1,0.29411765,3,0,0,1,0,5,0,-1,240.385,0,441.153,395.954,45.199,0,0,834.219,1,2,0,0.0045336,0.97147,24.021,7.242,10.198,3.42,3.868,-2.767,-3.224,-0.186,935.139,-0.057,585.206,-1.872,0,0,0,0.143,3,100,0,0,30.93,2,0,0,5,0,5,5,17,5.50822484042531,0.03,[0.01:0.05],1,0.347,0.733,5.84,[0.01:26.13],1,0.248,0.4,-4.65,[-4.84:-4.46],1,0.261,0.614,-10.81,[-10.96:-10.63],1,0.296,0.65,1.82,[1.55:2.09],1,0.53,0.693,0.6,[0.53:0.67],0,0.372,0.734,1,1,0.416872072031225,0.490190199463758,0.66,[-0.04:1.36],1,0.333,0.436,2.98,[2.35:3.61],1,0.448,0.524,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,5,2,1,1,37.3,67.1054,0.422,1.55813368,0.91206848,3.74772246203551,1.931561895,0.930815017
O=C(O)C(C)(C)[C@@H]1[C@H](CCC1)CC(C)(C)CC,"cyclopentane,Custom_46,Custom_25",1674,"cyclopentane,Custom_46,Custom_25",0,1,0.312,0.541,0,1,0.405,0.64,0,1,0.581,0.755,0,1,0.485,0.678,0,1,0.399,0.662,0,1,0.382,0.662,0,1,4,5,5593,[3100:9900],1,0.596,0.687,1,0.29411765,2,0,0,1,0,5,0,-1,240.385,0,473.397,410.05,63.348,0,0,847.193,1,2,0,0.0042248,0.9146627,24.54,7.049,10.25,3.621,3.813,-3.348,-3.224,-1.105,629.18,-0.243,381.318,-2.207,0,0,0,0.167,3,100,0,0,39.148,2,0,0,5,0,5,5,17,0.670464269420549,0.02,[0.01:0.03],1,0.334,0.735,5.67,[0.01:26.13],1,0.251,0.399,-4.69,[-4.93:-4.45],1,0.263,0.58,-10.81,[-10.96:-10.63],1,0.296,0.65,1.82,[1.55:2.09],1,0.525,0.691,0.6,[0.53:0.67],0,0.343,0.724,1,1,0.461207156373724,0.512357741635008,0.39,[-0.23:1.09],1,0.347,0.443,2.97,[2.35:3.59],1,0.452,0.526,240.208930136,45,17,15,2,0,0,1,0,0.933333333333333,5,2,1,1,37.3,67.7647,0.422,1.55813368,0.91206848,3.74764481932825,1.931561895,0.930815017
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O=C(O)C(C)(C)C[C@@H]1[C@H](CCC1)CCCC,"cyclopentane,Custom_52,Custom_6",1805,"cyclopentane,Custom_52,Custom_6",1,1,0.313,0.557,0,1,0.533,0.747,1,1,0.316,0.631,0,1,0.877,0.91,0,1,0.406,0.699,0,1,0.41,0.666,0,1,4,5,5714,[3200:10000],1,0.671,0.625,1,0.3125,2,0,0,1,0,6,0,-1,226.358,0,494.127,429.22,64.908,0,0,856.676,1,2,0,0.0040475,0.8828171,24.278,6.947,9.865,3.461,3.856,-3.56,-2.939,-1.621,608.109,-0.353,367.534,-2.14,0,0,0,0.145,3,100,0,0,36.751,2,0,0,5,0,5,5,16,0.452070703323032,0.02,[0.01:0.03],1,0.351,0.756,1.52,[0.01:23.64],1,0.268,0.357,-4.72,[-4.97:-4.47],1,0.262,0.573,-10.82,[-10.97:-10.64],1,0.324,0.672,1.81,[1.54:2.08],1,0.422,0.655,0.64,[0.52:0.76],0,0.345,0.693,1,1,0.517083024899774,0.604033015262413,-0.26,[-0.42:-0.1],1,0.415,0.678,2.37,[2.13:2.61],1,0.532,0.703,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,6,2,1,1,37.3,59.1931,0.501,1.51144473,0.911254172,3.75694023604672,1.900006411,0.927141668
O=C(O)C(C)(C)C[C@@H](CCC1)[C@H]1[C@H](C)CC,"cyclopentane,Custom_52,Custom_7",1806,"cyclopentane,Custom_52,Custom_7",1,1,0.276,0.504,0,1,0.494,0.727,1,1,0.32,0.633,0,1,0.839,0.875,0,1,0.408,0.704,0,1,0.427,0.694,0,1,4,5,5345,[3000:9500],1,0.54,0.589,1,0.3125,2,0,0,1,0,5,0,-1,226.358,0,468.076,403.168,64.908,0,0,824.888,1,2,0,0.0042728,0.9087523,23.648,6.806,9.877,3.619,3.659,-3.252,-2.939,-1.201,608.109,-0.262,367.534,-2.236,0,0,0,0.105,3,100,0,0,36.751,2,0,0,5,0,5,5,16,0.737149018075153,0.02,[0.01:0.03],1,0.35,0.752,1.62,[0.01:23.73],1,0.26,0.355,-4.72,[-4.97:-4.47],1,0.266,0.576,-10.82,[-10.97:-10.64],1,0.318,0.669,1.81,[1.54:2.08],1,0.425,0.656,0.6,[0.53:0.67],0,0.346,0.725,1,1,0.498117753396905,0.555345933337056,-0.16,[-0.35:0.03],1,0.357,0.626,2.35,[2.11:2.59],1,0.496,0.694,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,5,2,1,1,37.3,60.365,0.462,1.51144473,0.911254172,3.7279477095448,1.900006411,0.927141668
O=C(O)C(C)(C)C[C@@H]1[C@@H](CC(C)C)CCC1,"cyclopentane,Custom_52,Custom_8",1807,"cyclopentane,Custom_52,Custom_8",0,1,0.261,0.631,0,1,0.534,0.747,0,1,0.312,0.63,0,1,0.48,0.74,0,1,0.4,0.684,0,1,0.366,0.633,0,1,4,5,5345,[3000:9500],1,0.531,0.587,1,0.3125,2,0,0,1,0,5,0,-1,226.358,0,481.544,416.637,64.908,0,0,841.355,1,2,0,0.0041533,0.895052,24.307,6.873,10.016,3.651,3.761,-3.495,-2.939,-1.423,608.109,-0.278,367.534,-2.236,0,0,0,0.147,3,100,0,0,36.751,2,0,0,5,0,5,5,16,0.420986818365887,0.05,[0.01:0.12],1,0.338,0.669,1.59,[0.01:23.75],1,0.265,0.356,-4.65,[-4.91:-4.39],1,0.275,0.575,-10.82,[-10.97:-10.64],1,0.318,0.669,1.81,[1.54:2.08],1,0.449,0.664,0.6,[0.53:0.67],0,0.353,0.728,1,1,0.504752495377788,0.558663304327497,-0.2,[-0.4:0],1,0.387,0.641,2.35,[2.11:2.59],1,0.499,0.694,226.193280072,42,16,14,2,0,0,1,0,0.928571428571429,5,2,1,1,37.3,62.1526,0.462,1.51144473,0.911254172,3.7279477095448,1.900006411,0.927141668
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O=C(O)C(C)(C)C[C@@H]1[C@H](CCC1)CCCCCC,"cyclopentane,Custom_52,Custom_17",1816,"cyclopentane,Custom_52,Custom_17",1,1,0.257,0.554,0,1,0.53,0.744,1,1,0.251,0.523,0,1,0.842,0.921,0,1,0.423,0.698,0,1,0.382,0.645,0,1,4,5,6590,[3700:12000],1,0.526,0.703,1,0.27777778,2,0,0,1,0,8,0,-1,254.412,0,550.079,485.172,64.908,0,0,964.466,1,2,0,0.0036358,0.8582184,27.307,7.875,10.737,3.154,4.541,-4.253,-3.511,-2.019,608.109,-0.506,367.534,-1.948,0,0,0,0.355,3,100,0,0,36.751,2,0,0,5,0,5,5,18,0.160114492028353,0.02,[0:0.04],1,0.353,0.758,6.13,[0.01:27.91],1,0.251,0.383,-4.74,[-4.99:-4.49],1,0.24,0.567,-10.74,[-10.92:-10.54],1,0.3,0.657,1.81,[1.54:2.08],1,0.457,0.669,0.61,[0.43:0.79],0,0.332,0.641,1,1,0.500403315275582,0.556488714276394,0.49,[-0.22:1.2],1,0.388,0.449,3.37,[2.72:4.02],1,0.391,0.518,254.2245802,48,18,16,2,0,0,1,0,0.9375,8,2,1,1,37.3,65.0163,0.501,1.593914179,0.920477205,3.81888541459401,1.947634956,0.938364401
O=C(O)C(C)(C)C[C@@H](CCC1)[C@H]1[C@@H](C)CCCC,"cyclopentane,Custom_52,Custom_18",1817,"cyclopentane,Custom_52,Custom_18",1,1,0.22,0.499,0,1,0.451,0.704,1,1,0.251,0.49,0,1,0.837,0.873,0,1,0.414,0.659,0,1,0.398,0.666,0,1,3,5,3494,[2000:6200],1,0.442,0.589,1,0.27777778,2,0,0,1,0,7,0,-1,254.412,0,531.287,466.38,64.908,0,0,941.643,1,2,0,0.0037644,0.8744998,27.036,7.724,10.827,3.33,4.398,-4.073,-3.511,-1.755,608.109,-0.424,367.534,-2.044,0,0,0,0.337,3,100,0,0,36.751,2,0,0,5,0,5,5,18,0.194477966456873,0.02,[0.01:0.03],1,0.339,0.741,19.74,[10.12:39.32],1,0.246,0.508,-4.74,[-4.99:-4.49],1,0.248,0.569,-10.81,[-10.96:-10.63],1,0.292,0.649,1.81,[1.54:2.08],1,0.529,0.694,0.6,[0.53:0.67],0,0.324,0.718,1,1,0.478360386937074,0.54546725010714,0.41,[-0.23:1.12],1,0.376,0.45,3.32,[2.52:4.12],1,0.409,0.472,254.2245802,48,18,16,2,0,0,1,0,0.9375,7,2,1,1,37.3,67.7284,0.462,1.593914179,0.920477205,3.54332290064691,1.947634956,0.938364401
O=C(O)C(C)(C)C[C@@H]1[C@H](CCC1)C[C@@H](C)CCC,"cyclopentane,Custom_52,Custom_19",1818,"cyclopentane,Custom_52,Custom_19",0,1,0.213,0.537,0,1,0.491,0.724,1,1,0.287,0.544,0,1,0.832,0.9,0,1,0.417,0.694,0,1,0.382,0.641,0,1,3,5,3494,[2000:6200],1,0.434,0.58,1,0.27777778,2,0,0,1,0,7,0,-1,254.412,0,536.113,471.205,64.908,0,0,948.244,1,2,0,0.0037306,0.870674,27.3,7.77,10.892,3.341,4.44,-4.161,-3.511,-1.817,608.109,-0.429,367.534,-2.044,0,0,0,0.354,3,100,0,0,36.751,2,0,0,5,0,5,5,18,0.158787971070544,0.02,[0.01:0.03],1,0.327,0.737,19.83,[10.12:39.46],1,0.247,0.508,-4.74,[-4.99:-4.49],1,0.249,0.568,-10.81,[-10.96:-10.63],1,0.292,0.649,1.82,[1.56:2.08],1,0.564,0.706,0.6,[0.53:0.67],0,0.332,0.721,1,1,0.490096150919361,0.551335132098284,0.48,[-0.23:1.19],1,0.382,0.446,3.12,[2.33:3.91],1,0.405,0.514,254.2245802,48,18,16,2,0,0,1,0,0.9375,7,2,1,1,37.3,69.6822,0.462,1.593914179,0.920477205,3.54332290064691,1.947634956,0.938364401
O=C(O)C(C)(C)C[C@@H]1[C@H](CCC1)CC[C@@H](C)CC,"cyclopentane,Custom_52,Custom_20",1819,"cyclopentane,Custom_52,Custom_20",1,1,0.263,0.519,0,1,0.451,0.704,1,1,0.289,0.545,0,1,0.499,0.75,0,1,0.415,0.694,0,1,0.722,0.818,0,1,4,5,5905,[3300:11000],1,0.527,0.599,1,0.27777778,2,0,0,1,0,7,0,-1,254.412,0,538.219,473.311,64.908,0,0,951.268,1,2,0,0.003716,0.86911,27.421,7.792,10.923,3.346,4.459,-4.199,-3.511,-1.842,608.109,-0.431,367.534,-2.044,0,0,0,0.363,3,100,0,0,36.751,2,0,0,5,0,5,5,18,0.145333853780986,0.02,[0.01:0.03],1,0.323,0.736,6.23,[0.01:28.02],1,0.246,0.382,-4.73,[-4.98:-4.48],1,0.245,0.568,-10.81,[-10.96:-10.63],1,0.292,0.649,1.82,[1.56:2.08],1,0.581,0.713,0.6,[0.53:0.67],0,0.326,0.719,1,1,0.494766284145302,0.553670198711254,0.78,[0.12:1.44],1,0.389,0.46,3.19,[2.42:3.96],1,0.403,0.535,254.2245802,48,18,16,2,0,0,1,0,0.9375,7,2,1,1,37.3,69.2686,0.462,1.593914179,0.920477205,3.77121990194953,1.947634956,0.938364401
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O=C(O)C(C)(C)C[C@@H]1[C@H](CCC1)C[C@@H](C)C(C)C,"cyclopentane,Custom_52,Custom_23",1822,"cyclopentane,Custom_52,Custom_23",1,1,0.262,0.519,0,1,0.452,0.704,1,1,0.25,0.522,0,1,0.834,0.907,0,1,0.411,0.692,0,1,0.755,0.85,0,1,4,5,5557,[3100:9900],1,0.429,0.576,1,0.27777778,2,0,0,1,0,6,0,-1,254.412,0,524.221,459.313,64.908,0,0,934.933,1,2,0,0.0038152,0.8820726,27.409,7.696,11.075,3.533,4.356,-4.107,-3.511,-1.633,608.109,-0.354,367.534,-2.14,0,0,0,0.362,3,100,0,0,36.751,2,0,0,5,0,5,5,18,0.144178053332608,0.02,[0.01:0.03],1,0.322,0.735,21.83,[10.12:40.86],1,0.242,0.509,-4.73,[-4.98:-4.48],1,0.25,0.569,-10.81,[-10.96:-10.63],1,0.289,0.647,1.82,[1.56:2.08],1,0.6,0.72,0.6,[0.53:0.67],0,0.33,0.72,1,1,0.480621085975238,0.546597599626222,0.76,[0.1:1.42],1,0.381,0.457,3.31,[2.51:4.11],1,0.412,0.472,254.2245802,48,18,16,2,0,0,1,0,0.9375,6,2,1,1,37.3,70.6879,0.423,1.593914179,0.920477205,3.74484039678538,1.947634956,0.938364401
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O=C(O)[C@H](C)[C@@H](C1)CC[C@@H]([C@H]12)C[C@@H](CC2)[C@@H](C)CCC,"decalin,,Custom_11",1935,"decalin,,Custom_11",0,1,0.301,0.611,1,1,0.448,0.557,1,1,0.7,0.706,0,1,0.825,0.819,0,1,0.433,0.697,0,1,0.395,0.669,0,1,3,5,3207,[1800:5700],1,0.429,0.584,2,0.5,0,0,0,1,0,5,0,-1,280.45,0,592.315,503.306,89.009,0,0,1059.724,1,2,0,0.0033766,0.8486742,33.046,8.926,13.35,4.082,4.984,-5.516,-4.021,-2.173,359.276,-0.562,208.093,-2.68,0,0,1,0.748,3,100,0,0,46.953,2,0,0,10,0,10,10,20,0.00178517749480858,0.03,[0.02:0.04],1,0.362,0.751,19.26,[10.09:38.24],1,0.219,0.504,-4.83,[-5.17:-4.49],1,0.243,0.507,-10.82,[-10.96:-10.65],1,0.273,0.644,1.81,[1.56:2.06],1,0.447,0.675,1.4,[0.82:1.96],0,0.237,0.421,0,1,0.3988523116402,0.505713212458703,0.4,[0.03:0.84],1,0.299,0.526,3.14,[2.43:3.85],1,0.405,0.544,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,73.9825,0.574,1.607726188,0.913633002,3.50609895992844,1.934944134,0.921314832
O=C(O)[C@H](C)[C@@H](C1)CC[C@@H]([C@H]12)C[C@@H](CC2)C[C@@H](C)CC,"decalin,,Custom_12",1936,"decalin,,Custom_12",0,1,0.309,0.616,1,1,0.448,0.557,1,1,0.697,0.705,1,1,0.908,0.799,0,1,0.432,0.716,1,1,0.404,0.687,0,1,3,5,3208,[1800:5700],1,0.43,0.584,2,0.5,0,0,0,1,0,5,0,-1,280.45,0,592.429,503.184,89.245,0,0,1058.773,1,2,0,0.0033759,0.8480029,33.008,8.917,13.331,4.084,4.976,-5.518,-4.021,-2.184,357.428,-0.565,206.937,-2.684,0,0,1,0.745,3,100,0,0,46.911,2,0,0,10,0,10,10,20,0.00175885430252382,0.03,[0.02:0.04],1,0.367,0.753,19.29,[10.09:38.28],1,0.221,0.504,-4.83,[-5.17:-4.49],1,0.244,0.508,-10.82,[-10.96:-10.65],1,0.273,0.644,1.81,[1.56:2.06],1,0.432,0.67,1.4,[0.82:1.96],0,0.236,0.421,0,1,0.413442006983109,0.513008060130158,0.72,[0.08:1.36],1,0.328,0.455,3.15,[2.44:3.86],1,0.404,0.543,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,74.3961,0.574,1.607726188,0.913633002,3.50623435961213,1.934944134,0.921314832
O=C(O)[C@H](C)[C@@H](C1)CC[C@@H]([C@H]12)C[C@@H](CC2)CCC(C)C,"decalin,,Custom_13",1937,"decalin,,Custom_13",0,1,0.314,0.618,1,1,0.488,0.577,1,1,0.697,0.705,1,1,0.568,0.636,0,1,0.431,0.71,1,1,0.408,0.605,0,1,3,5,3208,[1800:5700],1,0.422,0.578,2,0.5,0,0,0,1,0,5,0,-1,280.45,0,596.792,508.036,88.756,0,0,1068.938,1,2,0,0.0033513,0.8471828,33.414,9.008,13.473,4.091,5.045,-5.599,-4.021,-2.197,361.263,-0.562,209.338,-2.675,0,0,1,0.773,3,89.307,0,0,46.889,2,1,0,10,0,10,10,20,0.0014928899186385,0.03,[0.02:0.04],1,0.351,0.744,19.31,[10.09:38.31],1,0.223,0.504,-4.83,[-5.17:-4.49],1,0.244,0.508,-10.82,[-10.96:-10.65],1,0.273,0.644,1.83,[1.58:2.08],1,0.534,0.701,1.41,[0.83:1.96],0,0.24,0.423,0,1,0.420537908208127,0.516556010742667,0.44,[0.04:0.86],1,0.339,0.537,3.15,[2.44:3.86],1,0.403,0.542,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,75.3565,0.574,1.607726188,0.913633002,3.50623435961213,1.934944134,0.921314832
O=C(O)[C@H](C)[C@@H](C1)CC[C@@H]([C@H]12)C[C@@H](CC2)[C@@H](C)C(C)C,"decalin,,Custom_14",1938,"decalin,,Custom_14",0,1,0.327,0.635,1,1,0.488,0.578,1,1,0.652,0.68,1,1,0.867,0.774,0,1,0.436,0.704,1,1,0.404,0.64,0,1,3,5,2751,[1500:4900],1,0.417,0.566,2,0.5,0,0,0,1,0,4,0,-1,280.45,0,578.52,489.256,89.264,0,0,1040.229,1,2,0,0.0034571,0.8582215,32.908,8.769,13.434,4.271,4.859,-5.328,-4.021,-2.019,357.281,-0.486,206.845,-2.781,0,0,1,0.737,3,100,0,0,46.932,2,0,0,10,0,10,10,20,0.00174395221282833,0.06,[0.01:0.13],1,0.368,0.68,19.29,[10.09:38.27],1,0.216,0.503,-4.82,[-5.16:-4.48],1,0.244,0.509,-10.82,[-10.96:-10.65],1,0.269,0.643,1.82,[1.56:2.08],1,0.503,0.689,1.41,[0.83:1.96],0,0.236,0.421,0,1,0.395617079875945,0.504095596576576,0.7,[0.06:1.34],1,0.29,0.441,3.02,[2.45:3.59],1,0.396,0.542,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,4,2,1,1,37.3,74.9882,0.535,1.607726188,0.913633002,3.43949059038968,1.934944134,0.921314832
O=C(O)[C@H](C)[C@@H](C1)CC[C@@H]([C@H]12)C[C@@H](CC2)CC(C)(C)C,"decalin,,Custom_15",1939,"decalin,,Custom_15",0,1,0.224,0.596,1,1,0.42,0.556,1,1,0.34,0.538,0,1,0.485,0.699,0,1,0.422,0.7,0,1,0.392,0.693,0,1,3,5,2801,[1600:5000],1,0.423,0.577,2,0.5,0,0,0,1,0,4,0,-1,280.45,0,579.783,490.149,89.634,0,0,1046.927,1,2,0,0.0034496,0.8600234,33.176,8.84,13.565,4.276,4.9,-5.369,-4.021,-1.989,354.407,-0.486,205.047,-2.787,0,0,1,0.756,3,100,0,0,46.918,2,0,0,10,0,10,10,20,0.00162752797772013,0.05,[0:0.12],1,0.345,0.669,19.37,[10.09:38.35],1,0.214,0.502,-4.82,[-5.16:-4.48],1,0.246,0.505,-10.82,[-10.96:-10.64],0,0.258,0.638,1.84,[1.6:2.08],1,0.618,0.737,1.41,[0.83:1.96],0,0.236,0.421,0,1,0.408504603321674,0.510539358299441,0.45,[0.04:0.87],1,0.342,0.538,3.18,[2.47:3.89],0,0.388,0.538,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,4,2,1,1,37.3,76.0665,0.534,1.607726188,0.913633002,3.44731310882357,1.934944134,0.921314832
O=C(O)[C@H](C)[C@H](CC1)C[C@@H]([C@H]12)CC[C@H](C2)C(C)(C)CC,"decalin,,Custom_16",1940,"decalin,,Custom_16",1,1,0.271,0.626,1,1,0.5,0.596,1,1,0.342,0.539,1,1,0.494,0.582,0,1,0.43,0.7,1,1,0.396,0.676,0,1,3,5,2800,[1600:5000],1,0.426,0.581,2,0.5,0,0,0,1,0,4,0,-1,280.45,0,573.978,484.731,89.247,0,0,1034.003,1,2,0,0.0034845,0.8615581,32.658,8.72,13.372,4.26,4.82,-5.232,-4.021,-1.965,357.412,-0.479,206.927,-2.78,0,0,1,0.72,3,100,0,0,46.921,2,0,0,10,0,10,10,20,0.00211438555337523,0.09,[0.01:0.18],1,0.367,0.657,19.32,[10.09:38.28],1,0.21,0.501,-4.83,[-5.17:-4.49],1,0.241,0.508,-10.82,[-10.96:-10.64],0,0.258,0.638,1.83,[1.58:2.08],1,0.582,0.721,1.41,[0.83:1.96],0,0.238,0.422,0,1,0.38846236078262,0.539722683203836,0.39,[0.03:0.83],0,0.261,0.514,3.02,[2.45:3.59],1,0.392,0.541,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,4,2,1,1,37.3,76.9304,0.534,1.607726188,0.913633002,3.44715803134222,1.934944134,0.921314832
O=C(O)[C@H](C)[C@@H](C1)CC[C@@H]([C@H]12)C[C@@H](CC2)CCCCCC,"decalin,,Custom_17",1941,"decalin,,Custom_17",0,1,0.357,0.623,1,1,0.482,0.579,1,1,0.696,0.684,1,1,0.489,0.61,0,1,0.431,0.71,1,1,0.408,0.64,0,1,3,5,3692,[2100:6600],1,0.716,0.527,2,0.47619048,1,0,0,1,0,7,0,-1,294.476,0,645.018,555.927,89.091,0,0,1137.66,1,2,0,0.0031007,0.8170869,34.88,9.631,13.628,3.768,5.48,-6.162,-4.311,-2.684,358.633,-0.748,207.691,-2.489,0,0,1,0.877,3,91.797,0,0,46.982,2,1,1,10,0,10,10,21,0.000657411759894882,0.03,[0.02:0.04],1,0.366,0.761,22.74,[10.5:40.41],1,0.216,0.514,-4.93,[-5.3:-4.56],1,0.23,0.489,-10.82,[-10.96:-10.65],1,0.27,0.643,1.82,[1.56:2.08],1,0.36,0.645,1.41,[0.83:1.96],0,0.239,0.423,0,1,0.410467771584655,0.511520942430931,0.44,[0.04:0.85],1,0.318,0.531,2.86,[2.08:3.64],1,0.4,0.437,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,74.182,0.613,1.607726188,0.913633002,3.56726169235387,1.934944134,0.921314832
O=C(O)[C@H](C)[C@@H](C1)CC[C@@H]([C@H]12)C[C@@H](CC2)[C@@H](C)CCCC,"decalin,,Custom_18",1942,"decalin,,Custom_18",0,1,0.337,0.612,1,1,0.482,0.579,1,1,0.696,0.682,0,1,0.867,0.802,0,1,0.435,0.698,0,1,0.402,0.665,0,1,4,5,6167,[3500:11000],1,0.514,0.753,2,0.47619048,1,0,0,1,0,6,0,-1,294.476,0,625.556,536.499,89.057,0,0,1120.49,1,2,0,0.0031972,0.8340091,34.835,9.476,13.85,3.941,5.372,-5.965,-4.311,-2.41,358.899,-0.652,207.857,-2.585,0,0,1,0.874,3,91.173,0,0,46.964,2,1,1,10,0,10,10,21,0.000829496358887659,0.06,[0.01:0.13],1,0.353,0.682,29.63,[10.5:70.87],1,0.21,0.451,-4.93,[-5.3:-4.56],1,0.232,0.49,-10.82,[-10.96:-10.64],0,0.26,0.639,1.82,[1.57:2.07],1,0.407,0.662,1.41,[0.83:1.96],0,0.234,0.421,0,1,0.391248889534924,0.501911501406065,0.4,[0.03:0.83],1,0.289,0.525,2.66,[2.15:3.17],1,0.39,0.523,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,6,2,1,1,37.3,76.8941,0.574,1.607726188,0.913633002,3.7900739484263,1.934944134,0.921314832
O=C(O)[C@H](C)[C@@H](C1)CC[C@@H]([C@H]12)C[C@@H](CC2)C[C@@H](C)CCC,"decalin,,Custom_19",1943,"decalin,,Custom_19",0,1,0.312,0.617,1,1,0.482,0.579,1,1,0.692,0.681,1,1,0.532,0.625,0,1,0.432,0.716,1,1,0.41,0.644,0,1,4,5,6167,[3500:11000],1,0.52,0.752,2,0.47619048,1,0,0,1,0,6,0,-1,294.476,0,625.598,536.534,89.065,0,0,1118.413,1,2,0,0.0031969,0.8329217,34.752,9.456,13.805,3.942,5.359,-5.966,-4.311,-2.428,358.84,-0.654,207.82,-2.585,0,0,1,0.868,3,91.092,0,0,46.98,2,1,1,10,0,10,10,21,0.000827740240687141,0.06,[0.01:0.13],1,0.353,0.681,29.52,[10.5:70.59],1,0.212,0.452,-4.93,[-5.3:-4.56],1,0.232,0.489,-10.82,[-10.96:-10.64],0,0.26,0.639,1.82,[1.57:2.07],1,0.43,0.671,1.41,[0.83:1.96],0,0.233,0.42,0,1,0.403229278806404,0.507901696041806,0.72,[0.09:1.35],1,0.31,0.451,2.66,[2.14:3.18],1,0.39,0.521,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,6,2,1,1,37.3,78.8479,0.574,1.607726188,0.913633002,3.7900739484263,1.934944134,0.921314832
O=C(O)[C@H](C)[C@@H](C1)CC[C@@H]([C@H]12)C[C@@H](CC2)CC[C@@H](C)CC,"decalin,,Custom_20",1944,"decalin,,Custom_20",0,1,0.342,0.614,1,1,0.482,0.579,1,1,0.691,0.681,1,1,0.531,0.648,0,1,0.439,0.714,1,1,0.41,0.642,0,1,4,5,6167,[3500:11000],1,0.598,0.757,2,0.47619048,1,0,0,1,0,6,0,-1,294.476,0,628.308,538.785,89.523,0,0,1121.31,1,2,0,0.0031832,0.8307608,34.868,9.484,13.831,3.951,5.374,-6.016,-4.311,-2.463,355.263,-0.663,205.583,-2.593,0,0,1,0.876,3,91.103,0,0,46.935,2,1,1,10,0,10,10,21,0.000723542228072554,0.06,[0.01:0.13],1,0.352,0.681,22.81,[10.5:40.46],1,0.213,0.513,-4.93,[-5.3:-4.56],1,0.23,0.489,-10.82,[-10.96:-10.64],0,0.26,0.639,1.82,[1.57:2.07],1,0.443,0.676,1.41,[0.83:1.96],0,0.236,0.422,0,1,0.41195832517623,0.512266219226718,0.44,[0.04:0.85],1,0.309,0.528,2.66,[2.14:3.18],1,0.393,0.521,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,6,2,1,1,37.3,78.4343,0.574,1.607726188,0.913633002,3.7900739484263,1.934944134,0.921314832
O=C(O)[C@H](C)[C@@H](C1)CC[C@@H]([C@H]12)C[C@@H](CC2)CCCC(C)C,"decalin,,Custom_21",1945,"decalin,,Custom_21",0,1,0.32,0.621,1,1,0.482,0.579,1,1,0.695,0.683,1,1,0.491,0.618,0,1,0.434,0.712,1,1,0.417,0.675,0,1,4,5,6167,[3500:11000],1,0.527,0.752,2,0.47619048,1,0,0,1,0,6,0,-1,294.476,0,631.684,542.613,89.071,0,0,1125.249,1,2,0,0.0031661,0.8282555,35.026,9.517,13.854,3.956,5.402,-6.078,-4.311,-2.503,358.792,-0.664,207.79,-2.585,0,0,1,0.886,3,91.344,0,0,46.975,2,1,1,10,0,10,10,21,0.000639060132292696,0.06,[0.01:0.13],1,0.345,0.677,29.44,[10.5:70.38],1,0.214,0.453,-4.93,[-5.3:-4.56],1,0.232,0.489,-10.82,[-10.96:-10.64],0,0.26,0.639,1.82,[1.57:2.07],1,0.47,0.686,1.41,[0.83:1.96],0,0.236,0.422,0,1,0.415452544079745,0.514013328678476,0.44,[0.04:0.85],1,0.321,0.532,2.66,[2.14:3.18],1,0.393,0.52,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,6,2,1,1,37.3,78.2681,0.574,1.607726188,0.913633002,3.7900739484263,1.934944134,0.921314832
O=C(O)[C@H](C)[C@@H](C1)CC[C@@H]([C@H]12)C[C@@H](CC2)[C@@H](C)[C@@H](C)CC,"decalin,,Custom_22",1946,"decalin,,Custom_22",0,1,0.272,0.607,1,1,0.442,0.559,1,1,0.694,0.683,1,1,0.911,0.795,0,1,0.439,0.715,1,1,0.402,0.638,0,1,4,5,5571,[3100:9900],1,0.508,0.633,2,0.47619048,0,0,0,1,0,5,0,-1,294.476,0,606.305,517.074,89.231,0,0,1095.265,1,2,0,0.0032987,0.8475265,34.468,9.26,13.898,4.117,5.211,-5.774,-4.311,-2.192,357.536,-0.566,207.004,-2.684,0,0,1,0.847,3,90.199,0,0,46.913,2,1,1,10,0,10,10,21,0.0010267223631266,0.06,[0.01:0.13],1,0.358,0.682,26.2,[10.5:67.57],1,0.207,0.468,-4.84,[-5.18:-4.5],1,0.231,0.503,-10.82,[-10.96:-10.64],0,0.255,0.637,1.82,[1.57:2.07],1,0.424,0.668,1.41,[0.83:1.96],0,0.232,0.42,0,1,0.385398058594052,0.49898608593563,0.41,[0.03:0.85],0,0.268,0.518,2.75,[2.12:3.38],1,0.38,0.497,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,5,2,1,1,37.3,78.066,0.535,1.607726188,0.913633002,3.74593315845944,1.934944134,0.921314832
O=C(O)[C@H](C)[C@@H](C1)CC[C@@H]([C@H]12)C[C@@H](CC2)C[C@@H](C)C(C)C,"decalin,,Custom_23",1947,"decalin,,Custom_23",0,1,0.335,0.61,1,1,0.482,0.579,1,1,0.691,0.682,1,1,0.875,0.822,0,1,0.442,0.721,1,1,0.409,0.658,0,1,4,5,5572,[3100:9900],1,0.508,0.633,2,0.47619048,0,0,0,1,0,5,0,-1,294.476,0,613.487,524.304,89.183,0,0,1106.414,1,2,0,0.0032601,0.8432792,34.914,9.357,14.022,4.134,5.283,-5.906,-4.311,-2.26,357.913,-0.574,207.24,-2.683,0,0,1,0.878,3,90.625,0,0,46.932,2,1,1,10,0,10,10,21,0.000758756234652517,0.05,[0:0.12],1,0.356,0.675,29.72,[10.5:70.91],1,0.209,0.451,-4.93,[-5.3:-4.56],1,0.232,0.49,-10.82,[-10.96:-10.64],0,0.255,0.637,1.82,[1.57:2.07],1,0.478,0.689,1.41,[0.83:1.96],0,0.232,0.42,0,1,0.398665203613628,0.505619658445417,0.73,[0.09:1.37],1,0.299,0.446,2.74,[2.11:3.37],1,0.382,0.495,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,5,2,1,1,37.3,79.8536,0.535,1.607726188,0.913633002,3.74601110775193,1.934944134,0.921314832
O=C(O)[C@H](C)[C@H](CC1)C[C@@H]([C@H]12)CC[C@H](C2)C(C)(C)CCC,"decalin,,Custom_24",1948,"decalin,,Custom_24",1,1,0.226,0.585,1,1,0.453,0.578,1,1,0.317,0.528,0,1,0.529,0.677,0,1,0.436,0.683,0,1,0.396,0.673,0,1,4,5,5625,[3200:10000],1,0.52,0.625,2,0.47619048,0,0,0,1,0,5,0,-1,294.476,0,606.598,517.165,89.432,0,0,1094.331,1,2,0,0.0032971,0.8466359,34.431,9.251,13.876,4.119,5.204,-5.779,-4.311,-2.206,355.969,-0.57,206.024,-2.688,0,0,1,0.845,3,90.121,0,0,46.911,2,1,1,10,0,10,10,21,0.00100545034983837,0.05,[0:0.13],1,0.36,0.674,30,[10.5:71.42],1,0.203,0.454,-4.93,[-5.3:-4.56],1,0.231,0.489,-10.82,[-10.96:-10.64],0,0.246,0.633,1.82,[1.58:2.06],1,0.488,0.693,1.41,[0.83:1.96],0,0.232,0.42,0,1,0.38896568997946,0.539974347802257,0.4,[0.03:0.84],0,0.258,0.514,2.75,[2.12:3.38],1,0.375,0.495,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,5,2,1,1,37.3,80.2556,0.534,1.607726188,0.913633002,3.7501225267834,1.934944134,0.921314832
O=C(O)[C@H](C)[C@@H](C1)CC[C@@H]([C@H]12)C[C@@H](CC2)CC(C)(C)CC,"decalin,,Custom_25",1949,"decalin,,Custom_25",0,1,0.236,0.58,1,1,0.453,0.578,1,1,0.313,0.526,1,1,0.876,0.817,0,1,0.44,0.72,1,1,0.411,0.662,0,1,3,5,3173,[1800:5600],1,0.504,0.625,2,0.47619048,0,0,0,1,0,5,0,-1,294.476,0,601.939,512.851,89.088,0,0,1094.652,1,2,0,0.0033226,0.8533547,34.443,9.265,13.953,4.105,5.209,-5.693,-4.311,-2.097,358.656,-0.553,207.705,-2.681,0,0,1,0.847,3,90.212,0,0,46.977,2,1,0,10,0,10,10,21,0.00124287749058914,0.06,[0:0.14],1,0.352,0.667,29.7,[10.5:70.95],1,0.205,0.455,-4.93,[-5.3:-4.56],1,0.232,0.489,-10.82,[-10.96:-10.64],0,0.246,0.633,1.83,[1.58:2.08],1,0.524,0.701,1.41,[0.83:1.96],0,0.232,0.42,0,1,0.394337737186595,0.503455925231901,0.73,[0.09:1.37],1,0.3,0.446,2.75,[2.12:3.38],1,0.376,0.493,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,5,2,1,1,37.3,80.9149,0.534,1.607726188,0.913633002,3.50147007210041,1.934944134,0.921314832
O=C(O)[C@H](C)[C@@H](C1)CC[C@@H]([C@H]12)C[C@@H](CC2)CCC(C)(C)C,"decalin,,Custom_26",1950,"decalin,,Custom_26",0,1,0.273,0.614,1,1,0.453,0.578,1,1,0.31,0.525,1,1,0.576,0.638,0,1,0.435,0.713,1,1,0.418,0.579,0,1,4,5,5627,[3200:10000],1,0.507,0.625,2,0.47619048,0,0,0,1,0,5,0,-1,294.476,0,615.08,525.959,89.122,0,0,1110.557,1,2,0,0.0032516,0.8431934,35.08,9.395,14.085,4.137,5.31,-5.935,-4.311,-2.262,358.393,-0.574,207.541,-2.682,0,0,1,0.89,3,90.794,0,0,47.003,2,1,1,10,0,10,10,21,0.000711028941822601,0.06,[0:0.14],1,0.338,0.663,29.94,[10.5:71.24],1,0.206,0.45,-4.93,[-5.3:-4.56],1,0.233,0.49,-10.82,[-10.96:-10.64],0,0.246,0.633,1.83,[1.58:2.08],1,0.542,0.708,1.41,[0.83:1.96],0,0.236,0.422,0,1,0.408156561951584,0.510365337614395,0.44,[0.04:0.85],1,0.324,0.532,2.74,[2.1:3.38],1,0.376,0.491,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,5,2,1,1,37.3,80.6291,0.534,1.607726188,0.913633002,3.75027691515399,1.934944134,0.921314832
O=C(O)CCC[C@@H](C1)CC[C@@H]([C@H]12)C[C@H](C)CC2,"decalin,Custom_43,Custom_1",1951,"decalin,Custom_43,Custom_1",0,1,0.301,0.581,1,1,0.512,0.573,1,1,0.348,0.544,0,1,0.823,0.896,0,1,0.83,0.835,0,1,0.711,0.73,0,1,4,5,5375,[3000:9600],1,0.377,0.549,2,0.58823529,0,0,0,1,0,4,0,-1,238.369,0,530.389,421.801,108.587,0,0,914.286,1,2,0,0.0037708,0.8589327,27.867,7.697,11.796,4.286,3.917,-4.545,-3.159,-2.007,234.297,-0.659,131.093,-3.137,0,0,1,0.385,3,92.297,0,0,51.288,2,0,0,10,0,10,10,17,0.00496057697470481,0.02,[0.01:0.03],1,0.349,0.745,19.52,[10.12:39.09],1,0.253,0.51,-4.79,[-5.12:-4.46],1,0.247,0.515,-10.79,[-10.96:-10.62],1,0.355,0.682,1.87,[1.53:2.21],1,0.408,0.626,0.87,[0.39:1.35],0,0.234,0.487,1,1,0.458778829714963,0.574880917670008,-0.13,[-0.46:0.2],1,0.285,0.529,3.24,[2.52:3.96],1,0.481,0.514,238.193280072,43,17,15,2,0,0,2,0,0.933333333333333,4,2,1,1,37.3,60.4761,0.652,1.566177628,0.916559764,3.73037846858764,1.919132364,0.923972884
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O=C(O)CCC[C@@H](C1)CC[C@@H]([C@H]12)C[C@@H](CC2)CCCC,"decalin,Custom_43,Custom_6",1955,"decalin,Custom_43,Custom_6",0,1,0.359,0.625,1,1,0.488,0.577,1,1,0.69,0.696,1,1,0.876,0.78,1,1,0.473,0.594,1,1,0.406,0.556,0,1,4,5,6624,[3700:12000],1,0.387,0.459,2,0.5,1,0,0,1,0,7,0,-1,280.45,0,623.068,514.477,108.591,0,0,1089.834,1,2,0,0.0032099,0.8219967,32.966,9.31,13.264,3.848,5.038,-5.757,-4.021,-2.605,234.279,-0.93,131.082,-2.849,0,0,1,0.743,3,85.898,0,0,51.29,2,1,1,10,0,10,10,20,0.000695499438774895,0.03,[0.02:0.04],1,0.362,0.76,25.38,[10.5:45.62],1,0.229,0.5,-4.92,[-5.28:-4.56],1,0.228,0.49,-10.82,[-10.97:-10.65],1,0.292,0.662,1.82,[1.56:2.08],1,0.38,0.652,1.35,[0.8:1.9],0,0.212,0.418,1,1,0.411451005117785,0.512012559197496,0.43,[0.04:0.84],1,0.325,0.531,2.99,[2:4],1,0.407,0.386,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,70.9173,0.652,1.607726188,0.913633002,3.82112032377682,1.934944134,0.921314832
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O=C(O)CCC[C@H](CC1)C[C@@H]([C@H]12)CC[C@H](C2)CC(C)C,"decalin,Custom_43,Custom_8",1957,"decalin,Custom_43,Custom_8",0,1,0.343,0.633,1,1,0.448,0.557,1,1,0.694,0.702,0,1,0.833,0.862,0,1,0.463,0.621,1,1,0.74,0.75,0,1,4,5,6326,[3600:11000],1,0.435,0.692,2,0.5,0,0,0,1,0,6,0,-1,280.45,0,612.911,504.288,108.623,0,0,1079.038,1,2,0,0.0032631,0.8300904,33.176,9.214,13.474,4.044,4.97,-5.732,-4.021,-2.474,234.116,-0.849,130.984,-2.945,0,0,1,0.756,3,100,0,0,51.316,2,0,1,10,0,10,10,20,0.000588918420993032,0.03,[0.02:0.04],1,0.347,0.746,25.42,[10.5:45.65],1,0.227,0.5,-4.92,[-5.28:-4.56],1,0.228,0.49,-10.82,[-10.96:-10.65],1,0.278,0.646,1.82,[1.57:2.07],1,0.448,0.676,1.34,[0.8:1.88],0,0.209,0.412,1,1,0.415908402111339,0.514241257694273,0.43,[0.04:0.85],1,0.331,0.533,2.94,[2.09:3.79],1,0.403,0.44,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,73.8768,0.613,1.607726188,0.913633002,3.8011291875797,1.934944134,0.921314832
O=C(O)CCC[C@H](CC1)C[C@@H]([C@H]12)CC[C@H](C2)C(C)(C)C,"decalin,Custom_43,Custom_9",1958,"decalin,Custom_43,Custom_9",0,1,0.236,0.58,1,1,0.46,0.576,1,1,0.332,0.534,0,1,0.484,0.689,0,1,0.415,0.661,1,1,0.404,0.595,0,1,3,5,3190,[1800:5700],1,0.422,0.577,2,0.5,0,0,0,1,0,5,0,-1,280.45,0,594.871,486.36,108.511,0,0,1057.868,1,2,0,0.0033621,0.8440413,32.971,9.035,13.586,4.221,4.837,-5.563,-4.021,-2.248,234.689,-0.753,131.331,-3.039,0,0,1,0.742,3,100,0,0,51.266,2,0,0,10,0,10,10,20,0.000700299950949507,0.06,[0.01:0.13],1,0.337,0.67,25.7,[10.5:45.92],1,0.217,0.497,-4.92,[-5.28:-4.56],1,0.226,0.489,-10.82,[-10.96:-10.64],0,0.261,0.639,1.83,[1.58:2.08],1,0.549,0.71,1.14,[0.56:1.72],0,0.214,0.417,0,1,0.398456675498816,0.505515394388011,0.39,[0.03:0.82],1,0.292,0.524,2.98,[2.14:3.82],1,0.397,0.444,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,74.6405,0.573,1.607726188,0.913633002,3.50379068305718,1.934944134,0.921314832
O=C(O)CCC[C@@H](C1)CC[C@@H]([C@H]12)C[C@@H](CC2)CCCCC,"decalin,Custom_43,Custom_10",1959,"decalin,Custom_43,Custom_10",0,1,0.319,0.619,1,1,0.482,0.579,1,1,0.682,0.677,1,1,0.917,0.787,1,1,0.556,0.618,1,1,0.407,0.555,0,1,3,5,3575,[2000:6400],1,0.425,0.466,2,0.47619048,2,0,0,1,0,8,0,-2,294.476,0,699.267,570.034,129.234,0,0,1192.767,1,2,0,0.0028601,0.7778435,36.444,10.505,14.317,3.951,5.551,-7.003,-4.311,-3.319,149.271,-1.343,80.529,-3.133,0,0,1,0.984,1,85.399,0,0,51.555,2,1,1,10,0,10,10,21,2.15195372107788e-05,0.03,[0.01:0.04],1,0.363,0.758,25.64,[10.5:45.77],1,0.22,0.499,-4.94,[-5.3:-4.58],1,0.218,0.486,-10.82,[-10.96:-10.65],1,0.278,0.647,1.82,[1.56:2.08],1,0.35,0.642,1.35,[0.81:1.89],0,0.209,0.417,1,1,0.403862530872457,0.508218322074832,0.44,[0.04:0.85],1,0.31,0.527,3.27,[2.18:4.36],1,0.401,0.346,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,73.8289,0.652,1.607726188,0.913633002,3.5532760461371,1.934944134,0.921314832
O=C(O)CCC[C@H](CC1)C[C@@H]([C@H]12)CC[C@H](C2)[C@@H](C)CCC,"decalin,Custom_43,Custom_11",1960,"decalin,Custom_43,Custom_11",0,1,0.346,0.617,1,1,0.482,0.579,1,1,0.679,0.684,1,1,0.871,0.78,1,1,0.431,0.632,1,1,0.409,0.638,0,1,3,5,3698,[2100:6600],1,0.404,0.458,2,0.47619048,1,0,0,1,0,7,0,-1,294.476,0,638.716,530.071,108.645,0,0,1134.676,1,2,0,0.0031313,0.8237057,34.761,9.742,13.985,3.886,5.326,-6.045,-4.311,-2.577,234.004,-0.926,130.916,-2.85,0,0,1,0.87,3,87.579,0,0,51.317,2,1,1,10,0,10,10,21,0.000374831552499758,0.06,[0.01:0.13],1,0.349,0.684,25.74,[10.5:45.89],1,0.216,0.497,-4.93,[-5.29:-4.57],1,0.22,0.487,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.394,0.657,1.34,[0.8:1.88],0,0.208,0.412,0,1,0.401716637224038,0.507145375250622,0.41,[0.03:0.85],1,0.293,0.526,2.86,[2.07:3.65],1,0.397,0.435,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,76.541,0.613,1.607726188,0.913633002,3.56796690682315,1.934944134,0.921314832
O=C(O)CCC[C@H](CC1)C[C@@H]([C@H]12)CC[C@H](C2)C[C@@H](C)CC,"decalin,Custom_43,Custom_12",1961,"decalin,Custom_43,Custom_12",0,1,0.314,0.617,1,1,0.482,0.579,1,1,0.678,0.683,1,1,0.916,0.786,1,1,0.475,0.632,1,1,0.415,0.642,0,1,3,5,3698,[2100:6600],1,0.473,0.476,2,0.47619048,1,0,0,1,0,7,0,-1,294.476,0,639.44,530.041,109.399,0,0,1133.409,1,2,0,0.0031277,0.8221604,34.71,9.735,13.957,3.893,5.313,-6.059,-4.311,-2.602,230.182,-0.937,128.607,-2.864,0,0,1,0.866,3,87.372,0,0,51.582,2,1,1,10,0,10,10,21,0.000352021175509627,0.03,[0.02:0.04],1,0.356,0.758,25.73,[10.5:45.86],1,0.217,0.498,-4.93,[-5.29:-4.57],1,0.22,0.487,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.383,0.654,1.34,[0.8:1.88],0,0.206,0.411,1,1,0.412726390396126,0.512650251836667,0.44,[0.04:0.85],1,0.307,0.526,2.86,[2.07:3.65],1,0.397,0.433,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,76.9546,0.613,1.607726188,0.913633002,3.56796690682315,1.934944134,0.921314832
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O=C(O)CCC[C@@H](C1)CC[C@@H]([C@H]12)C[C@@H](CC2)CCCCCC,"decalin,Custom_43,Custom_17",1966,"decalin,Custom_43,Custom_17",0,1,0.315,0.616,1,1,0.477,0.58,1,1,0.674,0.68,1,1,0.916,0.774,1,1,0.518,0.604,1,1,0.411,0.587,0,1,4,5,6432,[3600:11000],1,0.336,0.507,2,0.45454545,2,0,0,1,0,9,0,-2,308.503,0,691.056,581.629,109.427,0,0,1212.336,1,2,0,0.0028941,0.7956719,36.585,10.514,14.274,3.576,5.817,-6.688,-4.601,-3.031,230.041,-1.131,128.521,-2.672,0,0,1,1,1,90.32,0,0,51.563,2,1,1,10,0,10,10,22,0.000134621173327816,0.03,[0.01:0.04],1,0.359,0.758,16,[3:34.91],1,0.211,0.467,-4.95,[-5.3:-4.59],1,0.208,0.483,-10.82,[-10.96:-10.65],1,0.267,0.642,1.82,[1.56:2.08],1,0.319,0.631,1.66,[1.42:1.9],0,0.208,0.544,1,1,0.397191885663193,0.5048829994702,0.41,[0.03:0.84],1,0.289,0.527,3.55,[2.34:4.76],1,0.391,0.325,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,76.7405,0.652,1.607726188,0.913633002,3.80834603574039,1.934944134,0.921314832
O=C(O)CCC[C@H](CC1)C[C@@H]([C@H]12)CC[C@H](C2)[C@@H](C)CCCC,"decalin,Custom_43,Custom_18",1967,"decalin,Custom_43,Custom_18",0,1,0.299,0.609,1,1,0.477,0.58,1,1,0.671,0.682,1,1,0.872,0.778,1,1,0.436,0.626,1,1,0.419,0.612,0,1,4,5,6732,[3800:12000],1,0.326,0.443,2,0.45454545,2,0,0,1,0,8,0,-2,308.503,0,673.4,563.968,109.431,0,0,1196.911,1,2,0,0.00297,0.8095933,36.61,10.345,14.506,3.754,5.72,-6.524,-4.601,-2.805,230.019,-1.032,128.508,-2.768,0,0,1,1.001,1,89.749,0,0,51.553,2,1,1,10,0,10,10,22,0.000157477537571968,0.06,[0.01:0.13],1,0.345,0.682,15.94,[3:34.94],1,0.208,0.465,-4.94,[-5.3:-4.58],1,0.211,0.484,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.56:2.08],1,0.353,0.644,1.35,[0.8:1.9],0,0.206,0.415,0,1,0.394462848057708,0.503518480667457,0.41,[0.03:0.84],1,0.278,0.522,3.47,[2.27:4.67],1,0.385,0.324,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,79.4526,0.613,1.607726188,0.913633002,3.82814410730379,1.934944134,0.921314832
O=C(O)CCC[C@H](CC1)C[C@@H]([C@H]12)CC[C@H](C2)C[C@@H](C)CCC,"decalin,Custom_43,Custom_19",1968,"decalin,Custom_43,Custom_19",0,1,0.311,0.615,1,1,0.477,0.58,1,1,0.669,0.682,1,1,0.916,0.788,1,1,0.472,0.651,1,1,0.745,0.824,0,1,4,5,6732,[3800:12000],1,0.315,0.44,2,0.45454545,2,0,0,1,0,8,0,-2,308.503,0,673.241,563.844,109.397,0,0,1195.04,1,2,0,0.0029707,0.8089391,36.535,10.328,14.467,3.753,5.708,-6.521,-4.601,-2.816,230.189,-1.033,128.61,-2.768,0,0,1,0.995,1,89.685,0,0,51.577,2,1,1,10,0,10,10,22,0.000158770005154421,0.06,[0.01:0.13],1,0.344,0.681,15.94,[3:34.9],1,0.209,0.466,-4.94,[-5.3:-4.58],1,0.21,0.484,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.369,0.649,1.35,[0.8:1.9],0,0.204,0.414,1,1,0.405427015548215,0.509000564412711,0.41,[0.03:0.84],1,0.288,0.526,3.47,[2.27:4.67],1,0.385,0.323,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,81.4064,0.613,1.607726188,0.913633002,3.82814410730379,1.934944134,0.921314832
O=C(O)CCC[C@H](CC1)C[C@@H]([C@H]12)CC[C@H](C2)CC[C@@H](C)CC,"decalin,Custom_43,Custom_20",1969,"decalin,Custom_43,Custom_20",0,1,0.345,0.614,1,1,0.477,0.58,1,1,0.667,0.681,1,1,0.917,0.733,1,1,0.486,0.607,1,1,0.421,0.609,0,1,4,5,6732,[3800:12000],1,0.407,0.464,2,0.45454545,1,0,0,1,0,8,0,-2,308.503,0,670.769,561.329,109.44,0,0,1197.976,1,2,0,0.0029817,0.8132503,36.652,10.352,14.572,3.748,5.727,-6.475,-4.601,-2.746,229.975,-1.022,128.482,-2.768,0,0,1,1.004,1,89.791,0,0,51.549,2,1,1,10,0,10,10,22,0.000176094682672771,0.06,[0.01:0.13],1,0.344,0.68,15.95,[3:34.9],1,0.209,0.466,-4.94,[-5.3:-4.58],1,0.209,0.484,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.377,0.652,1.35,[0.8:1.9],0,0.207,0.415,1,1,0.413159843276081,0.512866978276644,0.41,[0.03:0.84],1,0.286,0.526,3.47,[2.27:4.67],1,0.387,0.324,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,80.9928,0.613,1.607726188,0.913633002,3.82814410730379,1.934944134,0.921314832
O=C(O)CCC[C@@H](C1)CC[C@@H]([C@H]12)C[C@@H](CC2)CCCC(C)C,"decalin,Custom_43,Custom_21",1970,"decalin,Custom_43,Custom_21",0,1,0.313,0.617,1,1,0.477,0.58,1,1,0.671,0.681,1,1,0.917,0.733,1,1,0.476,0.633,1,1,0.41,0.611,0,1,4,5,6732,[3800:12000],1,0.316,0.44,2,0.45454545,2,0,0,1,0,8,0,-2,308.503,0,678.396,568.968,109.428,0,0,1200.695,1,2,0,0.0029481,0.8053231,36.761,10.386,14.506,3.766,5.744,-6.616,-4.601,-2.875,230.034,-1.044,128.517,-2.768,0,0,1,1.011,1,89.889,0,0,51.554,2,1,1,10,0,10,10,22,0.000127283788252115,0.06,[0.01:0.13],1,0.335,0.676,15.95,[3:34.88],1,0.21,0.466,-4.94,[-5.3:-4.58],1,0.209,0.483,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.393,0.659,1.35,[0.8:1.9],0,0.207,0.415,1,1,0.412790319401424,0.512682216339315,0.41,[0.03:0.84],1,0.293,0.528,3.48,[2.28:4.68],1,0.388,0.324,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,80.8266,0.613,1.607726188,0.913633002,3.82814410730379,1.934944134,0.921314832
O=C(O)CCC[C@H](CC1)C[C@@H]([C@H]12)CC[C@H](C2)[C@@H](C)[C@@H](C)CC,"decalin,Custom_43,Custom_22",1971,"decalin,Custom_43,Custom_22",0,1,0.579,0.731,1,1,0.437,0.56,1,1,0.671,0.681,1,1,0.827,0.834,1,1,0.443,0.639,1,1,0.415,0.609,0,1,3,5,3687,[2100:6600],1,0.346,0.443,2,0.45454545,1,0,0,1,0,7,0,-1,308.503,0,647.527,538.129,109.398,0,0,1171.985,1,2,0,0.0030887,0.8302115,36.254,10.102,14.664,3.912,5.563,-6.208,-4.601,-2.472,230.186,-0.917,128.609,-2.864,0,0,1,0.976,1,88.835,0,0,51.561,2,1,1,10,0,10,10,22,0.000261487031417198,0.06,[0.01:0.13],1,0.346,0.68,15.9,[3:34.96],1,0.205,0.464,-4.94,[-5.3:-4.58],1,0.211,0.484,-10.82,[-10.96:-10.64],0,0.245,0.633,1.82,[1.57:2.07],1,0.366,0.648,1.34,[0.8:1.88],0,0.204,0.41,0,1,0.390777277843857,0.501675695560532,0.51,[0.03:1.11],1,0.262,0.467,3.41,[2.21:4.61],1,0.374,0.322,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,80.6245,0.574,1.607726188,0.913633002,3.56667313760612,1.934944134,0.921314832
O=C(O)CCC[C@H](CC1)C[C@@H]([C@H]12)CC[C@H](C2)C[C@@H](C)C(C)C,"decalin,Custom_43,Custom_23",1972,"decalin,Custom_43,Custom_23",0,1,0.341,0.613,1,1,0.477,0.58,1,1,0.668,0.679,1,1,0.874,0.755,1,1,0.484,0.636,1,1,0.429,0.649,0,1,3,5,3687,[2100:6600],1,0.417,0.458,2,0.45454545,1,0,0,1,0,7,0,-1,308.503,0,659.139,549.726,109.413,0,0,1182.236,1,2,0,0.0030343,0.8203341,36.664,10.198,14.698,3.94,5.627,-6.423,-4.601,-2.632,230.111,-0.942,128.563,-2.864,0,0,1,1.003,1,89.209,0,0,51.585,2,1,1,10,0,10,10,22,0.000159425716309863,0.06,[0.01:0.13],1,0.34,0.676,15.9,[3:34.9],1,0.206,0.465,-4.94,[-5.3:-4.58],1,0.211,0.484,-10.82,[-10.96:-10.64],0,0.245,0.633,1.82,[1.57:2.07],1,0.4,0.661,1.34,[0.8:1.88],0,0.203,0.41,0,1,0.405211577880542,0.508892845578874,0.42,[0.03:0.86],1,0.281,0.524,3.41,[2.21:4.61],1,0.376,0.322,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,82.4121,0.574,1.607726188,0.913633002,3.56667313760612,1.934944134,0.921314832
O=C(O)CCC[C@H](CC1)C[C@@H]([C@H]12)CC[C@H](C2)C(C)(C)CCC,"decalin,Custom_43,Custom_24",1973,"decalin,Custom_43,Custom_24",0,1,0.221,0.565,1,1,0.447,0.579,1,1,0.278,0.509,1,1,0.787,0.859,0,1,0.429,0.676,1,1,0.413,0.61,0,1,3,5,3599,[2000:6400],1,0.415,0.712,2,0.45454545,1,0,0,1,0,7,0,-1,308.503,0,652.042,542.604,109.437,0,0,1168.576,1,2,0,0.0030673,0.8228635,36.118,10.069,14.517,3.923,5.539,-6.292,-4.601,-2.591,229.988,-0.936,128.49,-2.864,0,0,1,0.965,1,88.691,0,0,51.555,2,1,1,10,0,10,10,22,0.000215430453584794,0.12,[0.01:0.25],1,0.337,0.566,15.88,[3:34.99],1,0.2,0.462,-4.94,[-5.3:-4.58],1,0.209,0.483,-10.82,[-10.96:-10.64],0,0.237,0.63,1.82,[1.57:2.07],1,0.404,0.663,1.34,[0.8:1.88],0,0.205,0.411,0,1,0.375160703027955,0.493867408152581,0.5,[0.03:1.1],1,0.261,0.466,3.42,[2.22:4.62],1,0.368,0.321,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,82.8141,0.573,1.607726188,0.913633002,3.55618184665291,1.934944134,0.921314832
O=C(O)CCC[C@H](CC1)C[C@@H]([C@H]12)CC[C@H](C2)CC(C)(C)CC,"decalin,Custom_43,Custom_25",1974,"decalin,Custom_43,Custom_25",0,1,0.23,0.555,1,1,0.447,0.579,1,1,0.277,0.525,1,1,0.869,0.8,0,1,0.475,0.676,1,1,0.422,0.711,0,1,3,5,3599,[2000:6400],1,0.409,0.706,2,0.45454545,1,0,0,1,0,7,0,-1,308.503,0,647.136,537.718,109.419,0,0,1172.171,1,2,0,0.0030905,0.8308004,36.262,10.104,14.675,3.911,5.564,-6.201,-4.601,-2.462,230.082,-0.915,128.546,-2.864,0,0,1,0.977,1,88.838,0,0,51.554,2,1,1,10,0,10,10,22,0.000265633647310128,0.13,[0.01:0.26],1,0.336,0.565,15.88,[3:34.93],1,0.203,0.463,-4.94,[-5.3:-4.58],1,0.209,0.483,-10.82,[-10.96:-10.64],0,0.237,0.63,1.95,[1.76:2.14],1,0.422,0.691,1.35,[0.8:1.9],0,0.203,0.414,0,1,0.399822572720268,0.506198342998738,0.42,[0.03:0.86],1,0.282,0.524,3.42,[2.22:4.62],1,0.369,0.32,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,83.4734,0.573,1.607726188,0.913633002,3.55618184665291,1.934944134,0.921314832
O=C(O)CCC[C@H](CC1)C[C@@H]([C@H]12)CC[C@H](C2)CCC(C)(C)C,"decalin,Custom_43,Custom_26",1975,"decalin,Custom_43,Custom_26",0,1,0.262,0.607,1,1,0.447,0.579,1,1,0.272,0.523,1,1,0.575,0.605,1,1,0.773,0.808,1,1,0.419,0.667,0,1,3,5,3599,[2000:6400],1,0.409,0.704,2,0.45454545,1,0,0,1,0,7,0,-1,308.503,0,661.46,552.062,109.397,0,0,1185.62,1,2,0,0.0030236,0.8190153,36.8,10.231,14.733,3.946,5.649,-6.466,-4.601,-2.653,230.19,-0.946,128.611,-2.864,0,0,1,1.013,1,89.339,0,0,51.543,2,1,1,10,0,10,10,22,0.000144522901531551,0.13,[0.01:0.26],1,0.326,0.561,15.88,[3:34.88],1,0.204,0.463,-4.94,[-5.3:-4.58],1,0.209,0.483,-10.82,[-10.96:-10.64],0,0.238,0.63,1.95,[1.76:2.14],1,0.431,0.694,1.35,[0.8:1.9],0,0.206,0.415,0,1,0.410907257688192,0.5117406854827,0.41,[0.03:0.84],1,0.297,0.529,3.42,[2.22:4.62],1,0.371,0.32,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,83.1876,0.573,1.607726188,0.913633002,3.55618184665291,1.934944134,0.921314832
O=C(O)C[C@H](C)[C@@H](C1)CC[C@@H]([C@H]12)C[C@H](C)CC2,"decalin,Custom_44,Custom_1",1976,"decalin,Custom_44,Custom_1",0,1,0.285,0.581,1,1,0.513,0.574,1,1,0.309,0.51,0,1,0.519,0.692,0,1,0.422,0.673,0,1,0.332,0.63,0,1,4,5,5067,[2800:9000],1,0.538,0.608,2,0.58823529,0,0,0,1,0,3,0,-1,238.369,0,502.062,401.367,100.694,0,0,888.743,1,2,0,0.0039836,0.8904143,27.487,7.553,11.853,4.385,3.883,-4.16,-3.159,-1.498,278.366,-0.464,157.937,-3.087,0,0,1,0.362,3,93.436,0,0,49.363,2,0,0,10,0,10,10,17,0.0125232648048439,0.02,[0.01:0.04],1,0.363,0.742,5.38,[0.01:25.33],1,0.258,0.411,-4.78,[-5.11:-4.45],1,0.258,0.521,-10.78,[-10.95:-10.61],1,0.336,0.674,1.86,[1.52:2.2],1,0.413,0.63,0.87,[0.39:1.35],0,0.246,0.49,1,1,0.44341074382627,0.567196874725661,-0.44,[-0.84:0.03],0,0.21,0.462,3.37,[2.75:3.98],1,0.483,0.542,238.193280072,43,17,15,2,0,0,2,0,0.933333333333333,3,2,1,1,37.3,61.648,0.613,1.566177628,0.916559764,3.70475090429067,1.919132364,0.923972884
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O=C(O)CCCC[C@H](CC1)C[C@@H]([C@H]12)CCC[C@@H]2C[C@@H](C)CC,"decalin,Custom_47,Custom_12",3186,"decalin,Custom_47,Custom_12",0,1,0.308,0.613,1,1,0.477,0.58,1,1,0.667,0.68,1,1,0.918,0.782,1,1,0.482,0.635,1,1,0.429,0.646,0,1,4,5,6733,[3800:12000],1,0.402,0.455,2,0.45454545,1,0,0,1,0,8,0,-2,308.503,0,662.467,553.135,109.331,0,0,1187.345,1,2,0,0.003019,0.8185634,36.227,10.247,14.474,3.727,5.66,-6.322,-4.601,-2.66,230.522,-1.006,128.812,-2.766,0,0,1,0.975,1,89.418,0,0,51.583,2,1,1,10,0,10,10,22,0.00025196553401875,0.06,[0.01:0.12],1,0.352,0.688,15.95,[3:34.91],1,0.21,0.466,-4.94,[-5.3:-4.58],1,0.21,0.485,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.56:2.08],1,0.345,0.641,1.35,[0.8:1.9],0,0.203,0.414,1,1,0.403965395365636,0.508269754321422,0.45,[0.04:0.86],1,0.287,0.521,3.48,[2.28:4.68],1,0.389,0.324,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,79.8662,0.613,1.607726188,0.913633002,3.82820861446795,1.934944134,0.921314832
O=C(O)CCCC[C@H](CC1)C[C@@H]([C@H]12)CCC[C@@H]2CCC(C)C,"decalin,Custom_47,Custom_13",3187,"decalin,Custom_47,Custom_13",0,1,0.304,0.611,1,1,0.477,0.58,1,1,0.665,0.679,1,1,0.876,0.725,1,1,0.48,0.611,1,1,0.431,0.606,0,1,4,5,6734,[3800:12000],1,0.403,0.455,2,0.45454545,2,0,0,1,0,8,0,-2,308.503,0,673.26,563.942,109.318,0,0,1193.919,1,2,0,0.0029706,0.8084115,36.49,10.317,14.441,3.753,5.701,-6.521,-4.601,-2.825,230.59,-1.034,128.853,-2.766,0,0,1,0.992,1,89.659,0,0,51.578,2,1,1,10,0,10,10,22,0.000159184824038943,0.06,[0.01:0.13],1,0.335,0.676,15.95,[3:34.89],1,0.21,0.467,-4.94,[-5.3:-4.58],1,0.209,0.484,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.393,0.659,1.35,[0.8:1.9],0,0.205,0.415,1,1,0.410677195192493,0.51162565423485,0.45,[0.04:0.86],1,0.294,0.524,3.48,[2.27:4.69],1,0.389,0.324,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,80.8266,0.613,1.607726188,0.913633002,3.82827311205207,1.934944134,0.921314832
O=C(O)CCCC[C@H](CC1)C[C@@H]([C@H]12)CCC[C@@H]2[C@H](C)C(C)C,"decalin,Custom_47,Custom_14",3188,"decalin,Custom_47,Custom_14",0,1,0.331,0.608,1,1,0.477,0.58,1,1,0.635,0.653,1,1,0.826,0.874,1,1,0.439,0.636,1,1,0.422,0.611,0,1,3,5,3689,[2100:6600],1,0.337,0.435,2,0.45454545,1,0,0,1,0,7,0,-1,308.503,0,645.581,536.254,109.327,0,0,1163.573,1,2,0,0.003098,0.8287249,35.918,10.022,14.512,3.907,5.509,-6.172,-4.601,-2.496,230.544,-0.92,128.825,-2.862,0,0,1,0.952,3,88.531,0,0,51.582,2,1,1,10,0,10,10,22,0.000284909285040777,0.06,[0.01:0.13],1,0.343,0.678,15.9,[3:34.94],1,0.206,0.464,-4.94,[-5.3:-4.58],1,0.211,0.485,-10.82,[-10.96:-10.64],0,0.245,0.633,1.82,[1.57:2.07],1,0.385,0.655,1.35,[0.8:1.9],0,0.202,0.413,0,1,0.393573836876032,0.503073975076619,0.42,[0.03:0.86],1,0.27,0.52,3.42,[2.22:4.62],1,0.381,0.324,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,80.4583,0.574,1.607726188,0.913633002,3.5669086552268,1.934944134,0.921314832
O=C(O)CCCC[C@H](CC1)C[C@@H]([C@H]12)CCC[C@@H]2CC(C)(C)C,"decalin,Custom_47,Custom_15",3189,"decalin,Custom_47,Custom_15",0,1,0.254,0.602,1,1,0.447,0.579,1,1,0.28,0.51,1,1,0.872,0.77,0,1,0.46,0.666,1,1,0.405,0.671,0,1,3,5,3596,[2000:6400],1,0.467,0.714,2,0.45454545,1,0,0,1,0,7,0,-1,308.503,0,643.583,541.952,101.631,0,0,1164.351,1,2,0,0.0031076,0.8316679,35.949,9.976,14.436,3.85,5.568,-6.135,-4.601,-2.448,272.73,-0.838,154.483,-2.72,0,0,1,0.955,3,90.181,0,0,50.283,2,1,1,10,0,10,10,22,0.0004299725046933,0.13,[0.01:0.26],1,0.327,0.562,15.88,[3:34.89],1,0.204,0.463,-4.94,[-5.3:-4.58],1,0.208,0.483,-10.82,[-10.96:-10.64],0,0.237,0.63,1.95,[1.76:2.14],1,0.424,0.692,1.35,[0.8:1.9],0,0.201,0.413,0,1,0.402171382137493,0.50737274770735,0.46,[0.05:0.87],1,0.3,0.526,3.43,[2.23:4.63],1,0.373,0.32,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,81.5366,0.573,1.607726188,0.913633002,3.55581968306119,1.934944134,0.921314832
O=C(O)CCCC[C@H](CC1)C[C@@H]([C@H]12)CCC[C@@H]2C(C)(C)CC,"decalin,Custom_47,Custom_16",3190,"decalin,Custom_47,Custom_16",1,1,0.264,0.621,1,1,0.487,0.599,1,1,0.281,0.511,1,1,0.832,0.876,0,1,0.435,0.658,1,1,0.412,0.558,0,1,3,5,3596,[2000:6400],1,0.403,0.698,2,0.45454545,1,0,0,1,0,7,0,-1,308.503,0,636.499,527.182,109.317,0,0,1155.462,1,2,0,0.0031422,0.8366383,35.593,9.95,14.484,3.885,5.458,-6.005,-4.601,-2.368,230.591,-0.9,128.854,-2.862,0,0,1,0.93,3,88.235,0,0,51.58,2,1,1,10,0,10,10,22,0.000419331774840415,0.12,[0.01:0.25],1,0.337,0.566,15.89,[3:35],1,0.202,0.462,-4.94,[-5.3:-4.58],1,0.208,0.484,-10.82,[-10.96:-10.64],0,0.237,0.63,1.82,[1.57:2.07],1,0.411,0.665,1.35,[0.8:1.9],0,0.204,0.414,0,1,0.378155723364449,0.495364918320828,0.51,[0.03:1.12],1,0.262,0.466,3.43,[2.23:4.63],1,0.376,0.323,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,82.4005,0.573,1.607726188,0.913633002,3.55581968306119,1.934944134,0.921314832
O=C(O)CCCC[C@H](CC1)C[C@@H]([C@H]12)CCC[C@@H]2CCCCCC,"decalin,Custom_47,Custom_17",3191,"decalin,Custom_47,Custom_17",0,1,0.306,0.611,1,1,0.473,0.581,1,1,0.362,0.528,1,1,0.877,0.752,1,1,0.484,0.608,1,1,0.426,0.647,0,1,4,5,6727,[3800:12000],1,0.335,0.502,2,0.43478261,2,0,0,1,0,10,0,-2,322.53,0,711.537,609.855,101.682,0,0,1263.39,1,2,0,0.0028108,0.7943151,37.986,10.953,14.645,3.352,6.2,-6.905,-4.892,-3.053,272.427,-1.114,154.298,-2.433,0,0,1,1.102,1,93.877,0,0,49.854,2,1,1,10,0,10,10,23,0.000147972936912049,0.03,[0.01:0.04],1,0.351,0.757,16.06,[3:35.07],1,0.203,0.464,-4.95,[-5.3:-4.59],0,0.198,0.48,-10.82,[-10.96:-10.64],0,0.255,0.637,1.82,[1.56:2.08],1,0.289,0.621,1.66,[1.42:1.9],0,0.204,0.543,1,1,0.396606172666489,0.504590142971848,0.13,[-0.27:0.53],1,0.269,0.529,4.17,[3.06:5],1,0.379,0.352,322.287180456001,61,23,21,2,0,0,2,0,0.952380952380952,10,2,1,1,37.3,79.6521,0.652,1.607726188,0.913633002,3.8278214276828,1.934944134,0.921314832
O=C(O)CCCC[C@H](CC1)C[C@@H]([C@H]12)CCC[C@@H]2[C@@H](C)CCCC,"decalin,Custom_47,Custom_18",3192,"decalin,Custom_47,Custom_18",0,1,0.292,0.604,1,1,0.473,0.581,1,1,0.359,0.531,1,1,0.531,0.634,0,1,0.441,0.68,1,1,0.423,0.573,0,1,4,5,5340,[3000:9500],1,0.311,0.438,2,0.43478261,2,0,0,1,0,9,0,-2,322.53,0,695.177,592.762,102.415,0,0,1239.161,1,2,0,0.002877,0.8025802,37.658,10.708,14.676,3.538,6.04,-6.764,-4.892,-2.919,268.103,-1.039,151.653,-2.543,0,0,1,1.077,1,92.815,0,0,50.313,2,1,1,10,0,10,10,23,0.000158956099671154,0.12,[0.03:0.24],1,0.338,0.588,15.99,[3:35.08],0,0.2,0.462,-4.95,[-5.3:-4.59],1,0.201,0.481,-10.82,[-10.96:-10.64],0,0.242,0.632,1.82,[1.56:2.08],1,0.316,0.631,1.35,[0.8:1.9],0,0.202,0.413,1,1,0.38455487818701,0.498564495732108,0.51,[0.03:1.11],1,0.259,0.467,4.13,[3:5],1,0.376,0.345,322.287180456001,61,23,21,2,0,0,2,0,0.952380952380952,9,2,1,1,37.3,82.3642,0.613,1.607726188,0.913633002,3.72754125702856,1.934944134,0.921314832
O=C(O)CCCC[C@H](CC1)C[C@@H]([C@H]12)CCC[C@@H]2C[C@H](C)CCC,"decalin,Custom_47,Custom_19",3193,"decalin,Custom_47,Custom_19",0,1,0.302,0.61,1,1,0.473,0.581,1,1,0.359,0.532,1,1,0.875,0.725,0,1,0.478,0.676,1,1,0.457,0.667,0,1,4,5,5340,[3000:9500],1,0.31,0.438,2,0.43478261,2,0,0,1,0,9,0,-2,322.53,0,698.743,589.414,109.329,0,0,1245.559,1,2,0,0.0028623,0.8012296,37.914,10.82,14.869,3.594,6.033,-6.83,-4.892,-2.941,230.531,-1.114,128.817,-2.67,0,0,1,1.095,1,91.601,0,0,51.587,2,1,1,10,0,10,10,23,0.000101794094110933,0.12,[0.03:0.24],1,0.339,0.587,16,[3:35.05],1,0.201,0.463,-4.95,[-5.3:-4.59],1,0.2,0.481,-10.82,[-10.96:-10.64],0,0.242,0.632,1.82,[1.56:2.08],1,0.328,0.635,1.35,[0.8:1.9],0,0.2,0.413,1,1,0.394826171713976,0.503700142495591,0.42,[0.03:0.86],1,0.266,0.52,4.13,[3:5],1,0.375,0.343,322.287180456001,61,23,21,2,0,0,2,0,0.952380952380952,9,2,1,1,37.3,84.318,0.613,1.607726188,0.913633002,3.72754125702856,1.934944134,0.921314832
O=C(O)CCCC[C@H](CC1)C[C@@H]([C@H]12)CCC[C@@H]2CC[C@H](C)CC,"decalin,Custom_47,Custom_20",3194,"decalin,Custom_47,Custom_20",0,1,0.296,0.599,1,1,0.473,0.581,1,1,0.357,0.531,1,1,0.877,0.709,1,1,0.49,0.609,1,1,0.435,0.651,0,1,4,5,5340,[3000:9500],1,0.326,0.439,2,0.43478261,2,0,0,1,0,9,0,-2,322.53,0,696.205,594.533,101.672,0,0,1245.49,1,2,0,0.0028727,0.804121,37.912,10.76,14.784,3.536,6.086,-6.783,-4.892,-2.894,272.486,-1.027,154.334,-2.529,0,0,1,1.095,1,93.211,0,0,49.911,2,1,1,10,0,10,10,23,0.000157001347140862,0.12,[0.03:0.24],1,0.339,0.586,16.01,[3:35.06],1,0.201,0.463,-4.95,[-5.3:-4.59],0,0.199,0.481,-10.82,[-10.96:-10.64],0,0.242,0.632,1.82,[1.57:2.07],1,0.334,0.638,1.66,[1.42:1.9],0,0.203,0.542,1,1,0.402162952559087,0.507368532918147,0.42,[0.03:0.85],1,0.265,0.52,4.13,[3:5],1,0.377,0.344,322.287180456001,61,23,21,2,0,0,2,0,0.952380952380952,9,2,1,1,37.3,83.9044,0.613,1.607726188,0.913633002,3.72754125702856,1.934944134,0.921314832
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O=C(O)CCCC[C@H](C1)C[C@H]([C@@H]12)CC[C@H]2[C@H](C)C(C)C,"pentalene,Custom_47,Custom_14",5438,"pentalene,Custom_47,Custom_14",0,1,0.288,0.592,0,1,0.293,0.646,0,1,0.248,0.527,1,1,0.525,0.623,0,1,0.528,0.62,1,1,0.423,0.527,0,1,3,5,3957,[2200:7000],1,0.5,0.693,2,0.4,1,0,0,1,0,7,0,-1,280.45,0,560.436,452.377,108.059,0,0,1010.221,1,2,0,0.0035687,0.8687939,29.78,8.654,12.546,3.693,4.538,-4.606,-4.031,-1.848,237.018,-0.813,132.739,-2.839,0,0,1,0.527,3,96.021,0,0,50.939,2,0,0,8,0,8,8,20,0.0100721799586654,0.21,[0:0.45],1,0.237,0.377,19.67,[10.12:38.62],1,0.236,0.508,-4.91,[-5.27:-4.55],1,0.227,0.491,-10.82,[-10.96:-10.65],1,0.27,0.643,1.81,[1.56:2.06],1,0.462,0.681,0.9,[0.36:1.44],0,0.212,0.421,1,1,0.471161462969806,0.581072234297429,0.43,[0.04:0.84],1,0.334,0.534,2.85,[2.05:3.65],1,0.455,0.45,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,73.865,0.574,1.550117247,0.918149583,3.59736605026603,1.903736255,0.93308544
O=C(O)CCCC[C@H](C1)C[C@H]([C@@H]12)CC[C@H]2CC(C)(C)C,"pentalene,Custom_47,Custom_15",5439,"pentalene,Custom_47,Custom_15",0,1,0.238,0.585,1,1,0.312,0.527,1,1,0.267,0.464,1,1,0.833,0.765,0,1,0.805,0.805,1,1,0.415,0.512,0,1,3,5,3702,[2100:6600],1,0.454,0.707,2,0.4,1,0,0,1,0,7,0,-1,280.45,0,593.658,485.502,108.156,0,0,1053.753,1,2,0,0.0033689,0.8435703,31.523,8.992,12.952,3.774,4.812,-5.215,-4.031,-2.256,236.513,-0.872,132.434,-2.841,0,0,1,0.645,3,100,0,0,50.946,2,0,0,8,0,8,8,20,0.00246448024144944,0.29,[0.06:0.52],1,0.229,0.394,19.82,[10.12:38.76],1,0.234,0.508,-4.91,[-5.27:-4.55],1,0.226,0.49,-10.82,[-10.96:-10.64],0,0.26,0.639,1.83,[1.58:2.08],1,0.555,0.712,0.7,[0.3:1.11],0,0.213,0.511,1,1,0.477731867359342,0.584357436492198,0.44,[0.04:0.85],1,0.351,0.54,3.09,[2.2:3.98],1,0.44,0.412,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,74.9433,0.573,1.550117247,0.918149583,3.56843641441689,1.903736255,0.93308544
O=C(O)CCCC[C@H](C1)C[C@H]([C@@H]12)CC[C@H]2C(C)(C)CC,"pentalene,Custom_47,Custom_16",5440,"pentalene,Custom_47,Custom_16",1,1,0.25,0.484,1,1,0.312,0.527,1,1,0.271,0.465,1,1,0.489,0.72,0,1,0.564,0.65,1,1,0.413,0.549,0,1,3,5,3702,[2100:6600],1,0.428,0.708,2,0.4,1,0,0,1,0,7,0,-1,280.45,0,562.046,453.979,108.066,0,0,1010.3,1,2,0,0.0035584,0.8663505,29.783,8.646,12.522,3.697,4.538,-4.635,-4.031,-1.887,236.978,-0.818,132.715,-2.839,0,0,1,0.527,3,96.019,0,0,50.879,2,0,0,8,0,8,8,20,0.00940802908366667,0.28,[0.04:0.52],1,0.233,0.386,29.94,[10.5:77.58],1,0.23,0.44,-4.91,[-5.27:-4.55],1,0.223,0.49,-10.82,[-10.96:-10.64],0,0.26,0.639,1.83,[1.58:2.08],1,0.523,0.699,0.9,[0.36:1.44],0,0.211,0.421,1,1,0.448860364772937,0.530717239025072,0.42,[0.04:0.83],1,0.323,0.53,2.86,[2.07:3.65],1,0.452,0.451,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,75.8072,0.573,1.550117247,0.918149583,3.56843641441689,1.903736255,0.93308544
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O=C(O)CCCC[C@@H]1CC[C@H]([C@@H]12)CC[C@H]2C(C)(C)CC,"pentalene,Custom_47,Custom_16",5815,"pentalene,Custom_47,Custom_16",1,1,0.25,0.484,1,1,0.312,0.527,1,1,0.271,0.465,1,1,0.489,0.72,0,1,0.564,0.65,1,1,0.413,0.549,0,1,3,5,3702,[2100:6600],1,0.428,0.708,2,0.4,1,0,0,1,0,7,0,-1,280.45,0,545.338,437.271,108.067,0,0,996.219,1,2,0,0.0036674,0.8845768,29.22,8.587,12.488,3.657,4.451,-4.33,-4.031,-1.592,236.972,-0.779,132.712,-2.839,0,0,1,0.491,3,95.509,0,0,50.879,2,0,0,8,0,8,8,20,0.0190189680437672,0.28,[0.04:0.52],1,0.233,0.386,29.94,[10.5:77.58],1,0.23,0.44,-4.91,[-5.27:-4.55],1,0.223,0.49,-10.82,[-10.96:-10.64],0,0.26,0.639,1.83,[1.58:2.08],1,0.523,0.699,0.9,[0.36:1.44],0,0.211,0.421,1,1,0.448860364772937,0.530717239025072,0.42,[0.04:0.83],1,0.323,0.53,2.86,[2.07:3.65],1,0.452,0.451,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,75.8072,0.573,1.550117247,0.918149583,3.56843641441689,1.903736255,0.93308544
O=C(O)CCCC[C@@H]1CC[C@H]([C@@H]12)CC[C@H]2CCCCCC,"pentalene,Custom_47,Custom_17",5816,"pentalene,Custom_47,Custom_17",0,1,0.249,0.613,0,1,0.293,0.635,0,1,0.268,0.529,0,1,0.542,0.612,0,1,0.455,0.654,1,1,0.427,0.544,0,1,4,5,6672,[3800:12000],1,0.377,0.507,2,0.38095238,1,0,0,1,0,10,0,-2,294.476,0,619.661,512.338,107.323,0,0,1104.633,1,2,0,0.0032276,0.8339813,31.632,9.455,12.784,3.169,5.144,-5.206,-4.321,-2.411,240.856,-1.068,135.064,-2.537,0,0,1,0.659,3,86.735,0,0,50.54,2,1,0,8,0,8,8,21,0.00532219867279741,0.02,[0:0.04],1,0.232,0.66,30.41,[10.5:77.88],1,0.232,0.442,-4.93,[-5.29:-4.57],1,0.213,0.486,-10.82,[-10.96:-10.65],1,0.278,0.646,1.82,[1.56:2.08],1,0.337,0.637,0.94,[0.41:1.47],0,0.211,0.427,1,1,0.464762481725291,0.538668297501249,0.08,[-0.34:0.5],1,0.331,0.541,4.02,[2.91:5],1,0.427,0.351,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,10,2,1,1,37.3,73.0588,0.652,1.550117247,0.918149583,3.82425603762968,1.903736255,0.93308544
O=C(O)CCCC[C@@H]1CC[C@H]([C@@H]12)CC[C@H]2[C@@H](C)CCCC,"pentalene,Custom_47,Custom_18",5817,"pentalene,Custom_47,Custom_18",0,1,0.288,0.594,0,1,0.333,0.655,0,1,0.264,0.565,1,1,0.876,0.708,0,1,0.531,0.641,1,1,0.423,0.523,0,1,4,5,5149,[2900:9200],1,0.427,0.461,2,0.38095238,1,0,0,1,0,9,0,-1,294.476,0,585.637,495.7,89.936,0,0,1069.162,1,2,0,0.0034151,0.8634405,30.855,9.059,12.563,3.19,5.041,-4.742,-4.321,-1.934,352.073,-0.783,203.588,-2.313,0,0,1,0.607,3,89.084,0,0,47.569,2,1,0,8,0,8,8,21,0.0259254368126659,0.1,[0:0.25],1,0.23,0.5,30.19,[10.5:77.74],1,0.229,0.441,-4.93,[-5.29:-4.57],1,0.217,0.487,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.56:2.08],1,0.378,0.652,0.91,[0.37:1.45],0,0.209,0.419,1,1,0.46810405821665,0.579543531920851,0.44,[0.04:0.85],1,0.325,0.533,3.56,[2.36:4.76],1,0.439,0.341,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,9,2,1,1,37.3,75.7709,0.613,1.550117247,0.918149583,3.71172289182723,1.903736255,0.93308544
O=C(O)CCCC[C@@H]1CC[C@H]([C@@H]12)CC[C@H]2C[C@@H](C)CCC,"pentalene,Custom_47,Custom_19",5818,"pentalene,Custom_47,Custom_19",0,1,0.247,0.611,0,1,0.293,0.635,0,1,0.263,0.565,1,1,0.882,0.712,0,1,0.53,0.653,1,1,0.424,0.511,0,1,4,5,5150,[2900:9200],1,0.429,0.461,2,0.38095238,1,0,0,1,0,9,0,-1,294.476,0,596.072,498.517,97.555,0,0,1080.872,1,2,0,0.0033553,0.8545075,31.324,9.199,12.771,3.266,5.062,-4.934,-4.321,-2.079,298.115,-0.87,170.082,-2.453,0,0,1,0.638,3,87.914,0,0,47.983,2,1,0,8,0,8,8,21,0.0120653244819164,0.1,[0:0.25],1,0.229,0.499,30.32,[10.5:77.81],1,0.23,0.442,-4.93,[-5.29:-4.57],1,0.217,0.487,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.398,0.659,0.91,[0.37:1.45],0,0.209,0.419,1,1,0.477715939778942,0.584349472701997,0.16,[-0.24:0.56],1,0.332,0.538,3.56,[2.36:4.76],1,0.437,0.34,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,9,2,1,1,37.3,77.7247,0.613,1.550117247,0.918149583,3.71180722904119,1.903736255,0.93308544
O=C(O)CCCC[C@@H]1CC[C@H]([C@@H]12)CC[C@H]2CC[C@H](C)CC,"pentalene,Custom_47,Custom_20",5819,"pentalene,Custom_47,Custom_20",0,1,0.245,0.612,0,1,0.293,0.635,0,1,0.264,0.565,1,1,0.537,0.58,0,1,0.448,0.629,1,1,0.428,0.545,0,1,4,5,5150,[2900:9200],1,0.373,0.446,2,0.38095238,1,0,0,1,0,9,0,-1,294.476,0,594.966,496.48,98.486,0,0,1077.589,1,2,0,0.0033615,0.8543621,31.192,9.174,12.733,3.27,5.035,-4.914,-4.321,-2.081,292.12,-0.878,166.388,-2.47,0,0,1,0.629,3,87.595,0,0,48.063,2,1,0,8,0,8,8,21,0.0121544249841504,0.1,[0:0.25],1,0.227,0.498,30.43,[10.5:77.93],1,0.23,0.442,-4.92,[-5.28:-4.56],1,0.214,0.487,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.409,0.663,0.91,[0.37:1.45],0,0.209,0.419,1,1,0.48101224781764,0.585997626721346,0.16,[-0.24:0.56],1,0.332,0.538,3.57,[2.37:4.77],1,0.438,0.34,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,9,2,1,1,37.3,77.3111,0.613,1.550117247,0.918149583,3.71180722904119,1.903736255,0.93308544
O=C(O)CCCC[C@@H]1CC[C@H]([C@@H]12)CC[C@H]2CCCC(C)C,"pentalene,Custom_47,Custom_21",5820,"pentalene,Custom_47,Custom_21",0,1,0.248,0.578,0,1,0.293,0.635,0,1,0.264,0.565,0,1,0.543,0.609,0,1,0.451,0.651,1,1,0.423,0.568,0,1,4,5,5150,[2900:9200],1,0.388,0.447,2,0.38095238,1,0,0,1,0,9,0,-1,294.476,0,605.924,509.94,95.984,0,0,1090.806,1,2,0,0.0033007,0.8457563,31.721,9.262,12.801,3.28,5.135,-5.115,-4.321,-2.22,308.518,-0.873,176.507,-2.424,0,0,1,0.665,3,88.61,0,0,47.725,2,1,0,8,0,8,8,21,0.00849669164626641,0.1,[0:0.25],1,0.225,0.496,30.41,[10.5:77.86],1,0.231,0.442,-4.92,[-5.28:-4.56],1,0.214,0.486,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.432,0.672,0.93,[0.4:1.46],0,0.21,0.427,1,1,0.482562808132219,0.586772906878636,0.09,[-0.33:0.51],1,0.336,0.543,3.56,[2.36:4.76],1,0.434,0.338,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,9,2,1,1,37.3,77.1449,0.613,1.550117247,0.918149583,3.71180722904119,1.903736255,0.93308544
O=C(O)CCCC[C@@H]1CC[C@H]([C@@H]12)CC[C@H]2[C@@H](C)[C@@H](C)CC,"pentalene,Custom_47,Custom_22",5821,"pentalene,Custom_47,Custom_22",0,1,0.574,0.745,0,1,0.253,0.615,0,1,0.267,0.566,1,1,0.527,0.578,0,1,0.533,0.622,1,1,0.418,0.562,0,1,3,5,4298,[2400:7600],1,0.452,0.459,2,0.38095238,1,0,0,1,0,8,0,-1,294.476,0,571.647,464.324,107.323,0,0,1051.254,1,2,0,0.0034987,0.8746664,30.78,9.052,12.964,3.495,4.808,-4.648,-4.321,-1.753,240.856,-0.854,135.064,-2.729,0,0,1,0.601,3,100,0,0,50.54,2,0,0,8,0,8,8,21,0.0123378161068269,0.1,[0:0.25],1,0.23,0.499,16.28,[3:36.17],1,0.225,0.463,-4.92,[-5.28:-4.56],1,0.218,0.488,-10.82,[-10.96:-10.64],0,0.257,0.638,1.82,[1.57:2.07],1,0.394,0.657,0.91,[0.37:1.45],0,0.209,0.419,1,1,0.455744751932867,0.57336387877896,0.44,[0.04:0.85],1,0.309,0.527,3.46,[2.26:4.66],1,0.447,0.345,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,76.9428,0.574,1.550117247,0.918149583,3.63326641115542,1.903736255,0.93308544
O=C(O)CCCC[C@@H]1CC[C@H]([C@@H]12)CC[C@H]2C[C@@H](C)C(C)C,"pentalene,Custom_47,Custom_23",5822,"pentalene,Custom_47,Custom_23",0,1,0.286,0.593,0,1,0.293,0.635,0,1,0.267,0.566,1,1,0.533,0.542,0,1,0.442,0.632,1,1,0.428,0.518,0,1,3,5,4298,[2400:7600],1,0.453,0.461,2,0.38095238,1,0,0,1,0,8,0,-1,294.476,0,580.468,473.146,107.323,0,0,1059.899,1,2,0,0.0034455,0.8660895,31.126,9.104,13.008,3.516,4.862,-4.81,-4.321,-1.891,240.856,-0.872,135.064,-2.729,0,0,1,0.624,3,100,0,0,50.54,2,0,0,8,0,8,8,21,0.00849926479221639,0.1,[0:0.25],1,0.227,0.493,30.42,[10.5:77.98],1,0.227,0.441,-4.92,[-5.28:-4.56],1,0.217,0.488,-10.82,[-10.96:-10.64],0,0.257,0.638,1.82,[1.57:2.07],1,0.439,0.675,0.9,[0.36:1.44],0,0.209,0.419,1,1,0.478463216480162,0.584723111052607,0.44,[0.04:0.85],1,0.328,0.534,3.46,[2.26:4.66],1,0.446,0.343,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,78.7304,0.574,1.550117247,0.918149583,3.63326641115542,1.903736255,0.93308544
O=C(O)CCCC[C@@H]1CC[C@H]([C@@H]12)CC[C@H]2C(C)(C)CCC,"pentalene,Custom_47,Custom_24",5823,"pentalene,Custom_47,Custom_24",1,1,0.2,0.49,1,1,0.311,0.526,1,1,0.561,0.639,1,1,0.457,0.683,0,1,0.859,0.783,1,1,0.445,0.61,0,1,3,5,3469,[2000:6200],1,0.436,0.707,2,0.38095238,1,0,0,1,0,8,0,-1,294.476,0,568.706,461.383,107.323,0,0,1050.45,1,2,0,0.0035168,0.8787413,30.748,9.059,12.995,3.488,4.803,-4.595,-4.321,-1.687,240.856,-0.845,135.064,-2.729,0,0,1,0.599,3,100,0,0,50.54,2,0,0,8,0,8,8,21,0.0139689484191131,0.13,[0:0.28],1,0.226,0.49,16.13,[3:36],1,0.22,0.461,-4.93,[-5.29:-4.57],1,0.215,0.486,-10.82,[-10.96:-10.64],0,0.248,0.635,1.82,[1.57:2.07],1,0.448,0.678,0.9,[0.36:1.44],0,0.207,0.419,1,1,0.440860969865072,0.526717541571139,0.44,[0.04:0.85],1,0.308,0.527,3.47,[2.27:4.67],1,0.439,0.343,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,79.1324,0.573,1.550117247,0.918149583,3.54020429984206,1.903736255,0.93308544
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O=C(O)CCCC[C@H](CC1)[C@H]([C@@H]12)CC[C@@H]2C(C)(C)C,"pentalene,Custom_47,Custom_9",6558,"pentalene,Custom_47,Custom_9",0,1,0.254,0.581,1,1,0.353,0.547,1,1,0.283,0.47,1,1,0.489,0.72,0,1,0.594,0.689,1,1,0.395,0.573,0,1,4,5,7035,[4000:13000],1,0.442,0.67,2,0.42105263,1,0,0,1,0,6,0,-1,266.423,0,512.694,415.138,97.556,0,0,941.813,1,2,0,0.003901,0.9063241,27.685,8.121,11.945,3.728,4.179,-3.897,-3.742,-1.24,298.11,-0.59,170.079,-2.741,0,0,1,0.386,3,95.702,0,0,47.982,2,0,0,8,0,8,8,19,0.0612476839470918,0.28,[0.04:0.52],1,0.241,0.389,19.59,[10.12:38.66],1,0.242,0.509,-4.81,[-5.14:-4.48],1,0.234,0.508,-10.82,[-10.96:-10.65],1,0.274,0.645,1.83,[1.58:2.08],1,0.57,0.714,0.7,[0.3:1.11],0,0.216,0.513,1,1,0.469402700887816,0.580192853256434,0.42,[0.04:0.84],1,0.344,0.536,2.94,[2.09:3.79],1,0.436,0.451,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,6,2,1,1,37.3,70.9588,0.573,1.56228787,0.91486567,3.84726410177076,1.92075953,0.931625483
O=C(O)CCCC[C@@H]1CC[C@H]([C@@H]12)[C@H](CC2)CCCCC,"pentalene,Custom_47,Custom_10",6559,"pentalene,Custom_47,Custom_10",0,1,0.254,0.616,0,1,0.293,0.646,0,1,0.239,0.531,0,1,0.542,0.61,0,1,0.456,0.655,1,1,0.426,0.544,0,1,3,5,3613,[2000:6400],1,0.491,0.463,2,0.4,1,0,0,1,0,9,0,-1,280.45,0,589.529,481.463,108.067,0,0,1048.885,1,2,0,0.0033925,0.8468596,30.043,8.953,12.354,3.322,4.782,-4.814,-4.031,-2.202,236.975,-0.983,132.714,-2.647,0,0,1,0.547,3,100,0,0,50.939,2,0,0,8,0,8,8,20,0.00970229682415664,0.09,[0:0.24],1,0.235,0.496,19.79,[10.12:38.79],1,0.242,0.51,-4.91,[-5.27:-4.55],1,0.224,0.49,-10.82,[-10.97:-10.65],1,0.292,0.662,1.96,[1.64:2.28],1,0.365,0.619,0.93,[0.4:1.46],0,0.213,0.428,1,1,0.472685488169694,0.54262980072345,0.15,[-0.25:0.55],1,0.352,0.543,3.01,[2.2:3.82],1,0.438,0.437,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,9,2,1,1,37.3,70.1472,0.652,1.550117247,0.918149583,3.55786796156802,1.903736255,0.93308544
O=C(O)CCCC[C@H](CC1)[C@H]([C@@H]12)CC[C@@H]2[C@H](C)CCC,"pentalene,Custom_47,Custom_11",6560,"pentalene,Custom_47,Custom_11",0,1,0.294,0.596,0,1,0.333,0.666,0,1,0.236,0.566,1,1,0.875,0.758,0,1,0.571,0.648,1,1,0.411,0.522,0,1,3,5,4232,[2400:7500],1,0.497,0.466,2,0.4,1,0,0,1,0,8,0,-1,280.45,0,561.358,463.535,97.823,0,0,1017.192,1,2,0,0.0035628,0.8713521,29.417,8.657,12.237,3.405,4.654,-4.46,-4.031,-1.806,296.378,-0.778,169.011,-2.554,0,0,1,0.505,3,100,0,0,48.062,2,0,0,8,0,8,8,20,0.0271447352081861,0.21,[0:0.45],1,0.236,0.383,19.68,[10.12:38.64],1,0.239,0.509,-4.91,[-5.27:-4.55],1,0.226,0.491,-10.82,[-10.96:-10.65],1,0.277,0.646,1.82,[1.57:2.07],1,0.414,0.664,0.9,[0.36:1.44],0,0.212,0.421,1,1,0.478472920894574,0.584727963259813,0.43,[0.04:0.84],1,0.344,0.538,3.26,[2.17:4.35],1,0.451,0.361,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,8,2,1,1,37.3,72.8593,0.613,1.550117247,0.918149583,3.62654565902713,1.903736255,0.93308544
O=C(O)CCCC[C@H](CC1)[C@H]([C@@H]12)CC[C@@H]2C[C@@H](C)CC,"pentalene,Custom_47,Custom_12",6561,"pentalene,Custom_47,Custom_12",0,1,0.255,0.616,0,1,0.293,0.646,0,1,0.276,0.571,1,1,0.496,0.567,0,1,0.488,0.638,1,1,0.432,0.508,0,1,3,5,4232,[2400:7500],1,0.444,0.453,2,0.4,1,0,0,1,0,8,0,-1,280.45,0,574.189,466.127,108.062,0,0,1031.089,1,2,0,0.0034832,0.8596217,29.973,8.819,12.496,3.506,4.67,-4.695,-4.031,-1.996,237.001,-0.894,132.729,-2.743,0,0,1,0.542,3,96.795,0,0,50.939,2,0,0,8,0,8,8,20,0.0102279759830456,0.21,[0:0.45],1,0.235,0.384,19.77,[10.12:38.75],1,0.24,0.509,-4.91,[-5.27:-4.55],1,0.227,0.491,-10.82,[-10.96:-10.65],1,0.277,0.646,1.82,[1.56:2.08],1,0.401,0.659,0.9,[0.36:1.44],0,0.212,0.421,1,1,0.488426304891583,0.589704655258318,0.44,[0.04:0.85],1,0.35,0.54,2.96,[2.15:3.77],1,0.45,0.44,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,8,2,1,1,37.3,73.2729,0.613,1.550117247,0.918149583,3.62654565902713,1.903736255,0.93308544
O=C(O)CCCC[C@H](CC1)[C@H]([C@@H]12)CC[C@@H]2CCC(C)C,"pentalene,Custom_47,Custom_13",6562,"pentalene,Custom_47,Custom_13",0,1,0.214,0.594,0,1,0.293,0.646,0,1,0.237,0.566,1,1,0.542,0.585,0,1,0.446,0.629,1,1,0.432,0.523,0,1,3,5,4233,[2400:7500],1,0.452,0.455,2,0.4,1,0,0,1,0,8,0,-1,280.45,0,573.389,475.566,97.823,0,0,1033.264,1,2,0,0.003488,0.862031,30.06,8.775,12.39,3.434,4.756,-4.68,-4.031,-1.957,296.378,-0.796,169.011,-2.554,0,0,1,0.548,3,100,0,0,48.062,2,0,0,8,0,8,8,20,0.0163368695727755,0.28,[0.05:0.51],1,0.231,0.392,19.81,[10.12:38.79],1,0.241,0.509,-4.91,[-5.27:-4.55],1,0.226,0.491,-10.82,[-10.96:-10.65],1,0.277,0.646,1.82,[1.56:2.08],1,0.483,0.683,0.91,[0.37:1.45],0,0.212,0.42,1,1,0.489978072200102,0.590480538912578,0.16,[-0.24:0.56],1,0.356,0.545,2.96,[2.15:3.77],1,0.449,0.44,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,8,2,1,1,37.3,74.2333,0.613,1.550117247,0.918149583,3.62664826847401,1.903736255,0.93308544
O=C(O)CCCC[C@H](CC1)[C@H]([C@@H]12)CC[C@@H]2[C@H](C)C(C)C,"pentalene,Custom_47,Custom_14",6563,"pentalene,Custom_47,Custom_14",0,1,0.288,0.592,0,1,0.293,0.646,0,1,0.248,0.527,1,1,0.525,0.623,0,1,0.528,0.62,1,1,0.423,0.527,0,1,3,5,3957,[2200:7000],1,0.5,0.693,2,0.4,1,0,0,1,0,7,0,-1,280.45,0,551.426,443.358,108.068,0,0,1001.13,1,2,0,0.003627,0.8776848,29.417,8.604,12.495,3.672,4.481,-4.441,-4.031,-1.704,236.97,-0.794,132.711,-2.839,0,0,1,0.503,3,95.687,0,0,50.879,2,0,0,8,0,8,8,20,0.0147188039410981,0.21,[0:0.45],1,0.237,0.377,19.67,[10.12:38.62],1,0.236,0.508,-4.91,[-5.27:-4.55],1,0.227,0.491,-10.82,[-10.96:-10.65],1,0.27,0.643,1.81,[1.56:2.06],1,0.462,0.681,0.9,[0.36:1.44],0,0.212,0.421,1,1,0.471161462969806,0.581072234297429,0.43,[0.04:0.84],1,0.334,0.534,2.85,[2.05:3.65],1,0.455,0.45,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,73.865,0.574,1.550117247,0.918149583,3.59736605026603,1.903736255,0.93308544
O=C(O)CCCC[C@H](CC1)[C@H]([C@@H]12)CC[C@@H]2CC(C)(C)C,"pentalene,Custom_47,Custom_15",6564,"pentalene,Custom_47,Custom_15",0,1,0.238,0.585,1,1,0.312,0.527,1,1,0.267,0.464,1,1,0.833,0.765,0,1,0.805,0.805,1,1,0.415,0.512,0,1,3,5,3702,[2100:6600],1,0.454,0.707,2,0.4,1,0,0,1,0,7,0,-1,280.45,0,552.735,454.247,98.488,0,0,1002.417,1,2,0,0.0036184,0.8763553,29.468,8.543,12.346,3.61,4.556,-4.465,-4.031,-1.725,292.106,-0.713,166.38,-2.663,0,0,1,0.507,3,100,0,0,47.899,2,0,0,8,0,8,8,20,0.0209158238864794,0.29,[0.06:0.52],1,0.229,0.394,19.82,[10.12:38.76],1,0.234,0.508,-4.91,[-5.27:-4.55],1,0.226,0.49,-10.82,[-10.96:-10.64],0,0.26,0.639,1.83,[1.58:2.08],1,0.555,0.712,0.7,[0.3:1.11],0,0.213,0.511,1,1,0.477731867359342,0.584357436492198,0.44,[0.04:0.85],1,0.351,0.54,3.09,[2.2:3.98],1,0.44,0.412,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,74.9433,0.573,1.550117247,0.918149583,3.56843641441689,1.903736255,0.93308544
O=C(O)CCCC[C@H](CC1)[C@H]([C@@H]12)CC[C@@H]2C(C)(C)CC,"pentalene,Custom_47,Custom_16",6565,"pentalene,Custom_47,Custom_16",1,1,0.25,0.484,1,1,0.312,0.527,1,1,0.271,0.465,1,1,0.489,0.72,0,1,0.564,0.65,1,1,0.413,0.549,0,1,3,5,3702,[2100:6600],1,0.428,0.708,2,0.4,1,0,0,1,0,7,0,-1,280.45,0,538.389,431.898,106.491,0,0,986.818,1,2,0,0.0037148,0.8903488,28.844,8.516,12.371,3.63,4.403,-4.203,-4.031,-1.499,245.269,-0.754,137.741,-2.81,0,0,1,0.466,3,95.494,0,0,50.163,2,0,0,8,0,8,8,20,0.0272386767308028,0.28,[0.04:0.52],1,0.233,0.386,29.94,[10.5:77.58],1,0.23,0.44,-4.91,[-5.27:-4.55],1,0.223,0.49,-10.82,[-10.96:-10.64],0,0.26,0.639,1.83,[1.58:2.08],1,0.523,0.699,0.9,[0.36:1.44],0,0.211,0.421,1,1,0.448860364772937,0.530717239025072,0.42,[0.04:0.83],1,0.323,0.53,2.86,[2.07:3.65],1,0.452,0.451,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,75.8072,0.573,1.550117247,0.918149583,3.56843641441689,1.903736255,0.93308544
O=C(O)CCCC[C@@H]1CC[C@H]([C@@H]12)[C@H](CC2)CCCCCC,"pentalene,Custom_47,Custom_17",6566,"pentalene,Custom_47,Custom_17",0,1,0.249,0.613,0,1,0.293,0.635,0,1,0.268,0.529,0,1,0.542,0.612,0,1,0.455,0.654,1,1,0.427,0.544,0,1,4,5,6672,[3800:12000],1,0.377,0.507,2,0.38095238,1,0,0,1,0,10,0,-1,294.476,0,614.23,521.617,92.613,0,0,1101.894,1,2,0,0.0032561,0.839964,31.523,9.333,12.573,3.056,5.229,-5.106,-4.321,-2.314,332.089,-0.914,191.126,-2.266,0,0,1,0.652,3,89.73,0,0,47.452,2,1,0,8,0,8,8,21,0.0125101824702077,0.02,[0:0.04],1,0.232,0.66,30.41,[10.5:77.88],1,0.232,0.442,-4.93,[-5.29:-4.57],1,0.213,0.486,-10.82,[-10.96:-10.65],1,0.278,0.646,1.82,[1.56:2.08],1,0.337,0.637,0.94,[0.41:1.47],0,0.211,0.427,1,1,0.464762481725291,0.538668297501249,0.08,[-0.34:0.5],1,0.331,0.541,4.02,[2.91:5],1,0.427,0.351,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,10,2,1,1,37.3,73.0588,0.652,1.550117247,0.918149583,3.82425603762968,1.903736255,0.93308544
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O=C(O)[C@@H](C)[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2[C@H](C)CC,"hydrindane,,Custom_7",6806,"hydrindane,,Custom_7",0,1,0.648,0.733,1,1,0.371,0.535,1,1,0.368,0.586,1,1,0.485,0.619,0,1,0.431,0.632,1,1,0.402,0.555,0,1,4,5,5654,[3200:10000],1,0.541,0.6,2,0.5,0,0,0,1,0,4,0,-1,252.396,0,479.69,392.468,87.222,0,0,880.06,1,2,0,0.0041694,0.9258612,26.498,7.602,11.53,4.019,3.86,-3.624,-3.45,-0.924,373.571,-0.356,217.057,-2.743,0,0,1,0.303,3,95.585,0,0,45.517,2,0,0,9,0,9,9,18,0.108399273406365,0.02,[0.01:0.03],1,0.368,0.749,19.39,[10.12:38.85],1,0.25,0.509,-4.62,[-4.9:-4.34],1,0.264,0.56,-10.82,[-10.97:-10.65],1,0.308,0.669,1.81,[1.54:2.08],1,0.438,0.662,0.81,[0.3:1.34],0,0.242,0.464,1,1,0.485000691979523,0.587991848802288,0.44,[0.04:0.86],1,0.361,0.541,3.31,[2.75:3.87],1,0.473,0.569,252.208930136,46,18,16,2,0,0,2,0,0.9375,4,2,1,1,37.3,67.8028,0.574,1.65465485,0.920814116,3.7523558041535,1.974165103,0.935447087
O=C(O)[C@@H](C)[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2CC(C)C,"hydrindane,,Custom_8",6807,"hydrindane,,Custom_8",0,1,0.289,0.63,1,1,0.451,0.575,1,1,0.377,0.622,0,1,0.448,0.652,0,1,0.438,0.626,1,1,0.405,0.535,0,1,4,5,5655,[3200:10000],1,0.459,0.573,2,0.5,0,0,0,1,0,4,0,-1,252.396,0,502.437,415.215,87.222,0,0,901.655,1,2,0,0.0039806,0.8983469,27.362,7.627,11.629,4.074,3.992,-4.036,-3.45,-1.369,373.571,-0.398,217.057,-2.743,0,0,1,0.357,3,96.361,0,0,45.517,2,0,0,9,0,9,9,18,0.0419609175581724,0.02,[0.01:0.03],1,0.361,0.746,19.4,[10.12:38.87],1,0.252,0.51,-4.62,[-4.9:-4.34],1,0.271,0.562,-10.82,[-10.97:-10.65],1,0.308,0.669,1.81,[1.54:2.08],1,0.496,0.682,0.81,[0.3:1.34],0,0.246,0.465,1,1,0.489300568917496,0.590141787271274,0.39,[-0.04:0.84],1,0.368,0.532,3.49,[3:3.98],1,0.465,0.556,252.208930136,46,18,16,2,0,0,2,0,0.9375,4,2,1,1,37.3,69.5904,0.574,1.65465485,0.920814116,3.75243260926147,1.974165103,0.935447087
O=C(O)[C@@H](C)[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2C(C)(C)C,"hydrindane,,Custom_9",6808,"hydrindane,,Custom_9",1,1,0.266,0.494,1,1,0.428,0.521,1,1,0.279,0.545,1,1,0.815,0.786,0,1,0.424,0.63,1,1,0.394,0.613,0,1,4,5,5196,[2900:9200],1,0.451,0.576,2,0.5,0,0,0,1,0,3,0,-1,252.396,0,474.376,387.154,87.222,0,0,869.925,1,2,0,0.0042161,0.9290311,26.734,7.53,11.676,4.227,3.848,-3.725,-3.45,-0.873,373.571,-0.291,217.057,-2.839,0,0,1,0.318,3,95.518,0,0,45.517,2,0,0,9,0,9,9,18,0.0745156431763391,0.03,[0.01:0.05],1,0.359,0.738,19.47,[10.12:38.86],1,0.242,0.507,-4.62,[-4.89:-4.35],1,0.268,0.563,-10.82,[-10.97:-10.65],1,0.288,0.661,1.82,[1.56:2.08],1,0.552,0.703,0.81,[0.3:1.34],0,0.239,0.463,1,1,0.471350352494014,0.581166679059533,0.74,[0.09:1.39],1,0.364,0.455,3.33,[2.77:3.89],1,0.465,0.569,252.208930136,46,18,16,2,0,0,2,0,0.9375,3,2,1,1,37.3,69.584,0.534,1.65465485,0.920814116,3.71566914240099,1.974165103,0.935447087
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O=C(O)[C@@H](C)[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2C(C)(C)CC,"hydrindane,,Custom_16",6815,"hydrindane,,Custom_16",1,1,0.285,0.449,1,1,0.419,0.517,1,1,0.275,0.555,1,1,0.825,0.809,1,1,0.428,0.61,1,1,0.404,0.581,0,1,3,5,3108,[1700:5500],1,0.432,0.572,2,0.47368421,0,0,0,1,0,4,0,-1,266.423,0,490.082,402.86,87.222,0,0,908.786,1,2,0,0.004081,0.9258432,27.647,7.865,11.985,4.044,4.043,-3.812,-3.738,-0.924,373.571,-0.356,217.057,-2.743,0,0,1,0.382,3,96.66,0,0,45.517,2,0,0,9,0,9,9,19,0.0742035537854164,0.03,[0.01:0.05],1,0.362,0.739,19.49,[10.12:38.67],1,0.233,0.506,-4.62,[-4.9:-4.34],1,0.249,0.554,-10.82,[-10.96:-10.65],1,0.272,0.644,1.83,[1.58:2.08],1,0.593,0.722,1.08,[0.44:1.72],0,0.236,0.394,1,1,0.458972789393487,0.535773451335347,0.73,[0.08:1.38],1,0.339,0.455,3.04,[2.47:3.61],1,0.45,0.558,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,4,2,1,1,37.3,74.4324,0.534,1.624709484,0.918686155,3.49248101012888,1.949404529,0.934024125
O=C(O)[C@@H](C)[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2CCCCCC,"hydrindane,,Custom_17",6816,"hydrindane,,Custom_17",0,1,0.322,0.65,1,1,0.439,0.567,1,1,0.287,0.548,1,1,0.533,0.618,0,1,0.447,0.632,1,1,0.419,0.512,0,1,3,5,3563,[2000:6300],1,0.507,0.483,2,0.45,1,0,0,1,0,7,0,-1,280.45,0,579.524,492.302,87.222,0,0,1035.359,1,2,0,0.0034511,0.8540581,30.786,8.696,12.441,3.598,4.841,-4.956,-4.026,-2.086,373.571,-0.656,217.057,-2.455,0,0,1,0.595,3,100,0,0,45.517,2,0,0,9,0,9,9,20,0.0108934004129664,0.02,[0:0.04],1,0.368,0.758,19.46,[10.12:38.51],1,0.238,0.508,-4.74,[-5.13:-4.35],1,0.233,0.479,-10.82,[-10.96:-10.65],1,0.283,0.648,1.81,[1.55:2.07],1,0.395,0.657,1.33,[0.79:1.87],0,0.237,0.42,1,1,0.467667432592706,0.579325219108879,0.43,[0.04:0.84],1,0.373,0.548,2.87,[2.07:3.67],1,0.442,0.443,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,72.4541,0.613,1.609420652,0.919710667,3.55181582235102,1.931218512,0.932527188
O=C(O)[C@@H](C)[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2[C@H](C)CCCC,"hydrindane,,Custom_18",6817,"hydrindane,,Custom_18",0,1,0.309,0.605,1,1,0.398,0.547,1,1,0.323,0.552,1,1,0.492,0.618,1,1,0.442,0.618,1,1,0.421,0.565,0,1,4,5,6394,[3600:11000],1,0.43,0.697,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,534.306,447.519,86.787,0,0,992.724,1,2,0,0.0037432,0.9007284,29.722,8.481,12.524,3.706,4.579,-4.291,-4.026,-1.331,377.136,-0.511,219.297,-2.543,0,0,1,0.527,3,100,0,0,45.294,2,0,0,9,0,9,9,20,0.0411203502973006,0.03,[0.02:0.04],1,0.363,0.752,19.47,[10.12:38.5],1,0.233,0.507,-4.74,[-5.13:-4.35],1,0.237,0.48,-10.82,[-10.96:-10.65],1,0.273,0.644,1.81,[1.56:2.06],1,0.453,0.678,1.08,[0.44:1.72],0,0.232,0.393,1,1,0.464917942842404,0.577950474233729,0.44,[0.04:0.85],1,0.355,0.542,2.64,[2.13:3.15],1,0.438,0.538,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,75.1662,0.574,1.609420652,0.919710667,3.80577263193567,1.931218512,0.932527188
O=C(O)[C@@H](C)[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2C[C@@H](C)CCC,"hydrindane,,Custom_19",6818,"hydrindane,,Custom_19",0,1,0.282,0.628,1,1,0.438,0.567,1,1,0.321,0.551,1,1,0.493,0.595,0,1,0.446,0.627,1,1,0.42,0.63,0,1,4,5,6394,[3600:11000],1,0.432,0.694,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,555.521,468.299,87.222,0,0,1007.872,1,2,0,0.0036002,0.8751213,30.328,8.509,12.514,3.76,4.668,-4.679,-4.026,-1.745,373.571,-0.557,217.057,-2.551,0,0,1,0.564,3,100,0,0,45.517,2,0,0,9,0,9,9,20,0.0165315878171972,0.03,[0.02:0.04],1,0.356,0.749,19.48,[10.12:38.53],1,0.235,0.507,-4.74,[-5.13:-4.35],1,0.24,0.481,-10.82,[-10.96:-10.65],1,0.273,0.644,1.82,[1.56:2.08],1,0.484,0.682,0.81,[0.3:1.34],0,0.236,0.462,1,1,0.469176521863985,0.580079763744519,0.44,[0.04:0.85],1,0.366,0.546,2.94,[2:3.91],1,0.436,0.409,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,77.12,0.574,1.609420652,0.919710667,3.80577263193567,1.931218512,0.932527188
O=C(O)[C@@H](C)[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2CC[C@@H](C)CC,"hydrindane,,Custom_20",6819,"hydrindane,,Custom_20",0,1,0.317,0.607,1,1,0.398,0.547,1,1,0.283,0.551,1,1,0.491,0.62,0,1,0.44,0.622,1,1,0.408,0.506,0,1,4,5,6393,[3600:11000],1,0.433,0.696,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,557.496,470.274,87.222,0,0,1011.517,1,2,0,0.0035875,0.8741215,30.474,8.54,12.561,3.765,4.692,-4.715,-4.026,-1.761,373.571,-0.559,217.057,-2.551,0,0,1,0.574,3,100,0,0,45.517,2,0,0,9,0,9,9,20,0.0152107570564726,0.03,[0.02:0.04],1,0.349,0.744,19.51,[10.12:38.56],1,0.235,0.507,-4.74,[-5.13:-4.35],1,0.235,0.481,-10.82,[-10.96:-10.65],1,0.273,0.644,1.82,[1.56:2.08],1,0.503,0.689,0.81,[0.3:1.34],0,0.235,0.462,1,1,0.475106975378417,0.583044990501735,0.44,[0.04:0.85],1,0.368,0.547,2.83,[2.06:3.6],1,0.439,0.455,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,76.7064,0.574,1.609420652,0.919710667,3.80570470443386,1.931218512,0.932527188
O=C(O)[C@@H](C)[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2CCCC(C)C,"hydrindane,,Custom_21",6820,"hydrindane,,Custom_21",0,1,0.288,0.63,1,1,0.438,0.567,1,1,0.283,0.549,1,1,0.534,0.596,0,1,0.445,0.632,1,1,0.425,0.551,0,1,4,5,6393,[3600:11000],1,0.443,0.699,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,563.525,478.614,84.911,0,0,1018.466,1,2,0,0.0035491,0.8687262,30.752,8.568,12.576,3.764,4.751,-4.825,-4.026,-1.849,392.906,-0.548,229.225,-2.508,0,0,1,0.593,3,100,0,0,44.692,2,0,0,9,0,9,9,20,0.0130119085024863,0.03,[0.02:0.04],1,0.339,0.741,19.51,[10.12:38.56],1,0.235,0.507,-4.81,[-5.15:-4.47],1,0.237,0.508,-10.82,[-10.96:-10.65],1,0.273,0.644,1.83,[1.58:2.08],1,0.542,0.705,1.33,[0.79:1.87],0,0.233,0.419,1,1,0.477298532808676,0.584140769216864,0.44,[0.04:0.85],1,0.378,0.55,2.83,[2.05:3.61],1,0.437,0.452,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,76.5402,0.574,1.609420652,0.919710667,3.80570470443386,1.931218512,0.932527188
O=C(O)[C@@H](C)[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2[C@H](C)[C@@H](C)CC,"hydrindane,,Custom_22",6821,"hydrindane,,Custom_22",0,1,0.615,0.762,1,1,0.397,0.546,1,1,0.322,0.547,1,1,0.526,0.61,1,1,0.441,0.617,1,1,0.414,0.604,0,1,3,5,3412,[1900:6100],1,0.436,0.592,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,530.008,442.786,87.222,0,0,971.703,1,2,0,0.0037735,0.8951687,29.523,8.264,12.423,3.92,4.44,-4.375,-4.026,-1.421,373.571,-0.464,217.057,-2.647,0,0,1,0.509,3,100,0,0,45.517,2,0,0,9,0,9,9,20,0.0266466851240658,0.03,[0.02:0.04],1,0.368,0.75,19.52,[10.12:38.56],1,0.23,0.505,-4.73,[-5.12:-4.34],1,0.237,0.481,-10.82,[-10.96:-10.65],1,0.269,0.642,1.81,[1.56:2.06],1,0.472,0.685,0.81,[0.3:1.34],0,0.235,0.462,1,1,0.460551214009546,0.536562663643377,0.71,[0.07:1.35],1,0.326,0.453,2.72,[2.11:3.33],1,0.441,0.521,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,76.3381,0.535,1.609420652,0.919710667,3.53300902249549,1.931218512,0.932527188
O=C(O)[C@@H](C)[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2C[C@@H](C)C(C)C,"hydrindane,,Custom_23",6822,"hydrindane,,Custom_23",0,1,0.312,0.606,1,1,0.397,0.546,1,1,0.288,0.55,1,1,0.526,0.649,1,1,0.441,0.617,1,1,0.408,0.507,0,1,3,5,3413,[1900:6100],1,0.444,0.605,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,543.6,456.378,87.222,0,0,994.55,1,2,0,0.0036792,0.8864145,30.437,8.433,12.698,3.952,4.585,-4.623,-4.026,-1.562,373.571,-0.478,217.057,-2.647,0,0,1,0.572,3,100,0,0,45.517,2,0,0,9,0,9,9,20,0.0150492766668575,0.03,[0.02:0.04],1,0.351,0.744,19.55,[10.12:38.6],1,0.231,0.506,-4.62,[-4.9:-4.34],1,0.239,0.549,-10.82,[-10.96:-10.65],1,0.269,0.642,1.83,[1.58:2.08],1,0.549,0.707,0.81,[0.3:1.34],0,0.238,0.463,1,1,0.472504621939421,0.581743813782237,0.43,[0.04:0.84],1,0.354,0.541,2.71,[2.09:3.33],1,0.436,0.515,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,78.1257,0.535,1.609420652,0.919710667,3.53313628827864,1.931218512,0.932527188
O=C(O)[C@@H](C)[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2C(C)(C)CCC,"hydrindane,,Custom_24",6823,"hydrindane,,Custom_24",1,1,0.308,0.497,1,1,0.411,0.513,1,1,0.272,0.539,1,1,0.532,0.716,0,1,0.439,0.671,1,1,0.406,0.638,0,1,3,5,3420,[1900:6100],1,0.436,0.592,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,513.777,426.555,87.222,0,0,963.935,1,2,0,0.0038927,0.9185198,29.212,8.32,12.519,3.881,4.395,-4.08,-4.026,-1.043,373.571,-0.427,217.057,-2.647,0,0,1,0.492,3,100,0,0,45.517,2,0,0,9,0,9,9,20,0.0526383303123268,0.03,[0.02:0.04],1,0.358,0.747,19.56,[10.09:38.59],1,0.224,0.505,-4.74,[-5.13:-4.35],1,0.237,0.48,-10.82,[-10.96:-10.64],0,0.258,0.638,1.83,[1.58:2.08],1,0.542,0.705,1.08,[0.44:1.72],0,0.232,0.393,1,1,0.449699293847479,0.531136703562343,0.72,[0.08:1.36],1,0.328,0.453,2.74,[2.12:3.36],1,0.434,0.519,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,77.7576,0.534,1.609420652,0.919710667,3.53402610605613,1.931218512,0.932527188
O=C(O)[C@@H](C)[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2CC(C)(C)CC,"hydrindane,,Custom_25",6824,"hydrindane,,Custom_25",1,1,0.259,0.533,1,1,0.411,0.513,1,1,0.235,0.514,1,1,0.527,0.686,1,1,0.445,0.622,1,1,0.427,0.553,0,1,3,5,3421,[1900:6100],1,0.436,0.593,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,530.675,443.452,87.222,0,0,969.777,1,2,0,0.0037688,0.8928629,29.446,8.234,12.37,3.921,4.427,-4.387,-4.026,-1.458,373.571,-0.467,217.057,-2.647,0,0,1,0.503,3,100,0,0,45.517,2,0,0,9,0,9,9,20,0.0259114643945682,0.06,[0.01:0.13],1,0.337,0.669,19.62,[10.12:38.66],1,0.226,0.504,-4.8,[-5.14:-4.46],1,0.241,0.509,-10.82,[-10.96:-10.64],0,0.258,0.638,1.84,[1.6:2.08],1,0.619,0.738,0.81,[0.3:1.34],0,0.239,0.463,1,1,0.464415920419734,0.53849501684847,0.43,[0.04:0.84],1,0.353,0.54,2.72,[2.09:3.35],1,0.43,0.513,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,79.187,0.534,1.609420652,0.919710667,3.53415307418506,1.931218512,0.932527188
O=C(O)[C@@H](C)[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2CCC(C)(C)C,"hydrindane,,Custom_26",6825,"hydrindane,,Custom_26",0,1,0.176,0.523,1,1,0.371,0.493,1,1,0.238,0.515,1,1,0.529,0.648,0,1,0.435,0.632,1,1,0.444,0.621,0,1,3,5,3422,[1900:6100],1,0.42,0.587,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,549.625,464.714,84.911,0,0,1003.084,1,2,0,0.0036388,0.8817045,30.779,8.475,12.748,3.951,4.655,-4.734,-4.026,-1.639,392.906,-0.466,229.225,-2.604,0,0,1,0.595,3,100,0,0,44.692,2,0,0,9,0,9,9,20,0.0128810965031762,0.06,[0.01:0.13],1,0.32,0.657,19.65,[10.12:38.69],1,0.227,0.504,-4.8,[-5.13:-4.47],1,0.241,0.51,-10.82,[-10.96:-10.64],0,0.258,0.638,1.84,[1.61:2.07],1,0.633,0.744,0.81,[0.3:1.34],0,0.238,0.462,1,1,0.471947179018175,0.581465092321614,0.44,[0.04:0.85],1,0.379,0.55,2.72,[2.09:3.35],1,0.422,0.506,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,78.9012,0.534,1.609420652,0.919710667,3.53428000520508,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2C,"hydrindane,Custom_43,Custom_1",6826,"hydrindane,Custom_43,Custom_1",0,1,0.361,0.573,1,1,0.425,0.564,1,1,0.406,0.615,0,1,0.489,0.727,0,1,0.459,0.684,0,1,0.387,0.647,0,1,4,5,5202,[2900:9300],1,0.489,0.602,2,0.5625,0,0,0,1,0,4,0,-1,224.342,0,473.259,365.102,108.157,0,0,825.153,1,2,0,0.004226,0.8989916,24.3,7.046,10.783,4.146,3.359,-3.508,-2.879,-1.359,236.509,-0.57,132.432,-3.129,0,0,1,0.146,3,89.101,0,0,50.947,2,0,0,9,0,9,9,16,0.0517875043333822,0.02,[0.01:0.03],1,0.351,0.756,7,[0.01:51.92],1,0.267,0.334,-4.67,[-4.9:-4.44],1,0.262,0.579,-10.88,[-11.02:-10.74],1,0.387,0.719,1.87,[1.53:2.21],1,0.39,0.619,0.71,[0.3:1.12],0,0.238,0.519,1,1,0.489605690957658,0.551089902117432,-0.31,[-0.64:0.02],1,0.314,0.581,2.65,[2.17:3.21],1,0.527,0.571,224.177630008,40,16,14,2,0,0,2,0,0.928571428571429,4,2,1,1,37.3,58.7482,0.652,1.574918909,0.917826007,3.71617034785985,1.926491984,0.924638525
O=C(O)CCC[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2CC,"hydrindane,Custom_43,Custom_3",6827,"hydrindane,Custom_43,Custom_3",0,1,0.342,0.568,1,1,0.419,0.56,1,1,0.402,0.636,0,1,0.451,0.72,0,1,0.467,0.639,0,1,0.423,0.586,0,1,4,5,6284,[3500:11000],1,0.417,0.678,2,0.52941176,1,0,0,1,0,5,0,-1,238.369,0,497.207,389.051,108.155,0,0,874.421,1,2,0,0.0040225,0.8894238,25.63,7.463,11.184,3.983,3.672,-3.779,-3.164,-1.514,236.516,-0.649,132.436,-3.033,0,0,1,0.238,3,90.931,0,0,50.946,2,0,0,9,0,9,9,17,0.0368081712344053,0.03,[0.02:0.04],1,0.352,0.762,6.17,[0.01:27.97],1,0.258,0.386,-4.79,[-5.12:-4.46],1,0.252,0.52,-10.79,[-10.96:-10.62],1,0.355,0.682,1.89,[1.54:2.24],1,0.399,0.62,0.71,[0.3:1.13],0,0.227,0.514,1,1,0.488941985545436,0.550758049411322,0.11,[-0.21:0.43],1,0.34,0.568,3.31,[2.52:4.1],1,0.469,0.491,238.193280072,43,17,15,2,0,0,2,0,0.933333333333333,5,2,1,1,37.3,61.826,0.652,1.568343624,0.914081282,3.79823617636794,1.928734681,0.924826502
O=C(O)CCC[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2CCC,"hydrindane,Custom_43,Custom_4",6828,"hydrindane,Custom_43,Custom_4",0,1,0.29,0.595,1,1,0.412,0.556,1,1,0.352,0.605,0,1,0.453,0.639,0,1,0.444,0.66,1,1,0.39,0.528,0,1,3,5,3523,[2000:6300],1,0.68,0.832,2,0.5,1,0,0,1,0,6,0,-1,252.396,0,528.779,420.623,108.155,0,0,932.818,1,2,0,0.0037823,0.8731504,27.325,7.938,11.66,3.838,4.042,-4.19,-3.45,-1.777,236.516,-0.744,132.436,-2.937,0,0,1,0.354,3,93.099,0,0,50.946,2,0,0,9,0,9,9,18,0.01884946038937,0.02,[0.01:0.03],1,0.348,0.746,19.58,[10.12:38.97],1,0.254,0.511,-4.8,[-5.13:-4.47],1,0.244,0.512,-10.82,[-10.97:-10.65],1,0.329,0.678,1.81,[1.54:2.08],1,0.421,0.657,0.88,[0.42:1.34],0,0.224,0.493,1,1,0.480764462797651,0.585873734211352,0.12,[-0.2:0.44],1,0.346,0.566,3.63,[3.05:4.14],1,0.42,0.529,252.208930136,46,18,16,2,0,0,2,0,0.9375,6,2,1,1,37.3,66.2778,0.652,1.65465485,0.920814116,3.54691264318124,1.974165103,0.935447087
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O=C(O)CCC[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2CCCC,"hydrindane,Custom_43,Custom_6",6830,"hydrindane,Custom_43,Custom_6",0,1,0.286,0.631,1,1,0.405,0.551,1,1,0.285,0.537,1,1,0.536,0.591,0,1,0.447,0.651,1,1,0.411,0.535,0,1,3,5,4161,[2300:7400],1,0.421,0.467,2,0.47368421,1,0,0,1,0,7,0,-1,266.423,0,561.277,453.12,108.157,0,0,992.497,1,2,0,0.0035633,0.8573158,29.071,8.446,12.149,3.696,4.421,-4.621,-3.738,-2.033,236.509,-0.839,132.432,-2.841,0,0,1,0.476,3,95.321,0,0,50.947,2,0,0,9,0,9,9,19,0.00919665417647931,0.02,[0:0.04],1,0.358,0.756,19.57,[10.12:38.71],1,0.247,0.51,-4.81,[-5.15:-4.47],1,0.235,0.506,-10.82,[-10.97:-10.65],1,0.309,0.67,1.81,[1.55:2.07],1,0.41,0.661,0.88,[0.41:1.35],0,0.219,0.491,1,1,0.473190047769294,0.582086526697173,0.19,[-0.13:0.51],1,0.348,0.569,3.26,[2.29:4.2],1,0.424,0.388,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,7,2,1,1,37.3,69.1894,0.652,1.624709484,0.918686155,3.61919771579295,1.949404529,0.934024125
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O=C(O)CCC[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2CCC(C)C,"hydrindane,Custom_43,Custom_13",6837,"hydrindane,Custom_43,Custom_13",0,1,0.284,0.629,1,1,0.439,0.567,1,1,0.314,0.549,1,1,0.536,0.587,0,1,0.441,0.637,1,1,0.423,0.517,0,1,3,5,3596,[2000:6400],1,0.457,0.463,2,0.45,1,0,0,1,0,7,0,-1,280.45,0,576.463,468.24,108.223,0,0,1033.422,1,2,0,0.0034694,0.857522,30.709,8.836,12.792,3.733,4.684,-4.9,-4.026,-2.03,236.17,-0.84,132.226,-2.842,0,0,1,0.59,3,96.847,0,0,50.88,2,0,0,9,0,9,9,20,0.00508511169874401,0.03,[0.02:0.04],1,0.325,0.741,19.71,[10.12:38.67],1,0.236,0.508,-4.91,[-5.27:-4.55],1,0.226,0.49,-10.82,[-10.96:-10.65],1,0.278,0.646,1.83,[1.58:2.08],1,0.512,0.694,0.86,[0.38:1.34],0,0.216,0.482,1,1,0.481818985355275,0.586400995490164,0.43,[0.04:0.84],1,0.348,0.539,3.1,[2.21:3.99],1,0.434,0.408,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,76.1871,0.613,1.609420652,0.919710667,3.55581968306119,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2[C@@H](C)C(C)C,"hydrindane,Custom_43,Custom_14",6838,"hydrindane,Custom_43,Custom_14",0,1,0.338,0.592,1,1,0.398,0.547,1,1,0.611,0.693,1,1,0.567,0.555,1,1,0.445,0.612,1,1,0.404,0.58,0,1,4,5,6389,[3600:11000],1,0.448,0.698,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,547.287,439.064,108.223,0,0,997.632,1,2,0,0.0036544,0.8822606,29.919,8.592,12.768,3.883,4.459,-4.528,-4.026,-1.63,236.167,-0.725,132.224,-2.938,0,0,1,0.537,3,95.527,0,0,50.88,2,0,0,9,0,9,9,20,0.0095913909141652,0.03,[0.02:0.04],1,0.344,0.745,19.7,[10.12:38.66],1,0.231,0.507,-4.91,[-5.27:-4.55],1,0.224,0.489,-10.82,[-10.96:-10.65],1,0.27,0.643,1.82,[1.56:2.08],1,0.49,0.685,0.86,[0.38:1.34],0,0.214,0.481,1,1,0.475325913907184,0.583154459766118,0.43,[0.04:0.84],1,0.332,0.533,2.83,[2.05:3.61],1,0.436,0.452,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,75.8188,0.574,1.609420652,0.919710667,3.80543288813214,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2CC(C)(C)C,"hydrindane,Custom_43,Custom_15",6839,"hydrindane,Custom_43,Custom_15",0,1,0.241,0.601,1,1,0.411,0.513,1,1,0.228,0.519,1,1,0.872,0.811,0,1,0.766,0.794,1,1,0.465,0.625,0,1,4,5,6987,[3900:12000],1,0.517,0.742,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,556.428,448.272,108.155,0,0,1004.363,1,2,0,0.0035944,0.8716662,30.188,8.611,12.765,3.905,4.5,-4.695,-4.026,-1.801,236.516,-0.747,132.436,-2.937,0,0,1,0.554,3,95.783,0,0,50.946,2,0,0,9,0,9,9,20,0.00654504704616238,0.06,[0.01:0.13],1,0.312,0.659,30.15,[10.5:77.68],1,0.229,0.441,-4.92,[-5.28:-4.56],1,0.225,0.488,-10.82,[-10.96:-10.64],0,0.261,0.639,1.84,[1.6:2.08],1,0.574,0.72,0.86,[0.38:1.34],0,0.218,0.482,1,1,0.474876470106522,0.582929737865787,0.42,[0.04:0.83],1,0.346,0.537,2.86,[2.06:3.66],1,0.419,0.439,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,76.8971,0.573,1.609420652,0.919710667,3.84429074325434,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2C(C)(C)CC,"hydrindane,Custom_43,Custom_16",6840,"hydrindane,Custom_43,Custom_16",1,1,0.268,0.441,1,1,0.411,0.513,1,1,0.27,0.531,0,1,0.779,0.799,1,1,0.432,0.614,1,1,0.406,0.643,0,1,4,5,6986,[3900:12000],1,0.453,0.727,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,523.325,422.438,100.888,0,0,978.447,1,2,0,0.0038217,0.91079,29.151,8.504,12.623,3.776,4.392,-4.091,-4.026,-1.168,277.192,-0.609,157.217,-2.803,0,0,1,0.488,3,96.38,0,0,50.857,2,0,0,9,0,9,9,20,0.0358441976518464,0.03,[0.02:0.04],1,0.333,0.738,30.24,[10.5:77.94],1,0.226,0.439,-4.91,[-5.27:-4.55],1,0.22,0.488,-10.82,[-10.96:-10.64],0,0.261,0.639,1.83,[1.58:2.08],1,0.529,0.701,1.08,[0.56:1.6],0,0.211,0.431,1,1,0.464571487088137,0.577777246356595,0.43,[0.04:0.85],1,0.325,0.531,2.84,[2.07:3.61],1,0.433,0.453,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,76.9909,0.573,1.609420652,0.919710667,3.84422858130163,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2CCCCCC,"hydrindane,Custom_43,Custom_17",6841,"hydrindane,Custom_43,Custom_17",0,1,0.313,0.645,1,1,0.434,0.564,1,1,0.35,0.588,0,1,0.54,0.625,0,1,0.491,0.639,1,1,0.416,0.52,0,1,3,5,3666,[2100:6500],1,0.427,0.454,2,0.42857143,1,0,0,1,0,9,0,-2,294.476,0,624.638,516.413,108.225,0,0,1109.223,1,2,0,0.0032019,0.829626,32.458,9.5,13.096,3.408,5.166,-5.46,-4.316,-2.481,236.158,-1.027,132.219,-2.65,0,0,1,0.714,3,86.714,0,0,50.881,2,1,0,9,0,9,9,21,0.00228507558308812,0.02,[0:0.04],1,0.373,0.761,30.24,[10.5:77.77],1,0.228,0.441,-4.93,[-5.29:-4.57],1,0.214,0.485,-10.82,[-10.96:-10.65],1,0.278,0.646,1.82,[1.56:2.08],1,0.354,0.643,1.08,[0.56:1.6],0,0.214,0.432,1,1,0.457715977134278,0.574349491379665,0.15,[-0.24:0.54],1,0.328,0.537,3.53,[2.33:4.73],1,0.42,0.333,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,9,2,1,1,37.3,75.0126,0.652,1.609420652,0.919710667,3.5641924606262,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2[C@H](C)CCCC,"hydrindane,Custom_43,Custom_18",6842,"hydrindane,Custom_43,Custom_18",0,1,0.305,0.642,1,1,0.433,0.564,1,1,0.348,0.589,1,1,0.58,0.561,0,1,0.485,0.62,1,1,0.417,0.561,0,1,3,5,4393,[2500:7800],1,0.438,0.459,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,572.954,483.623,89.331,0,0,1055.01,1,2,0,0.0034907,0.8747485,30.931,8.96,12.731,3.375,4.956,-4.672,-4.316,-1.751,356.759,-0.697,206.518,-2.398,0,0,1,0.611,3,100,0,0,47.006,2,0,0,9,0,9,9,21,0.0250530997806566,0.03,[0.02:0.04],1,0.353,0.757,30.25,[10.5:77.87],1,0.225,0.439,-4.93,[-5.29:-4.57],1,0.216,0.486,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.398,0.659,1.08,[0.56:1.6],0,0.21,0.431,1,1,0.464704664505867,0.57784383506546,0.44,[0.04:0.85],1,0.325,0.532,3.43,[2.23:4.63],1,0.428,0.337,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,77.7247,0.613,1.609420652,0.919710667,3.64276120326532,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2C[C@@H](C)CCC,"hydrindane,Custom_43,Custom_19",6843,"hydrindane,Custom_43,Custom_19",0,1,0.312,0.644,1,1,0.433,0.564,1,1,0.342,0.598,1,1,0.88,0.732,1,1,0.487,0.639,1,1,0.407,0.576,0,1,3,5,4394,[2500:7800],1,0.494,0.473,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,600.604,492.379,108.225,0,0,1081.734,1,2,0,0.00333,0.8485102,32,9.269,13.169,3.571,4.993,-5.18,-4.316,-2.176,236.158,-0.921,132.219,-2.746,0,0,1,0.682,3,100,0,0,50.881,2,0,0,9,0,9,9,21,0.00348926493381689,0.03,[0.02:0.04],1,0.345,0.754,30.24,[10.5:77.79],1,0.226,0.44,-4.93,[-5.29:-4.57],1,0.216,0.486,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.419,0.667,0.86,[0.38:1.34],0,0.212,0.48,1,1,0.468636285581536,0.579809645603294,0.31,[-0.23:0.85],1,0.329,0.502,3.43,[2.23:4.63],1,0.428,0.336,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,79.6785,0.613,1.609420652,0.919710667,3.64286005258449,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2CC[C@@H](C)CC,"hydrindane,Custom_43,Custom_20",6844,"hydrindane,Custom_43,Custom_20",0,1,0.309,0.644,1,1,0.433,0.564,1,1,0.347,0.615,1,1,0.535,0.581,0,1,0.444,0.638,1,1,0.42,0.556,0,1,3,5,4394,[2500:7800],1,0.439,0.459,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,602.061,493.836,108.225,0,0,1084.267,1,2,0,0.0033219,0.8477778,32.102,9.291,13.201,3.574,5.009,-5.207,-4.316,-2.188,236.158,-0.923,132.219,-2.746,0,0,1,0.689,3,85.792,0,0,50.881,2,1,0,9,0,9,9,21,0.003280403228071,0.03,[0.02:0.04],1,0.337,0.752,30.32,[10.5:77.9],1,0.225,0.44,-4.93,[-5.29:-4.57],1,0.215,0.486,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.43,0.671,1.08,[0.56:1.6],0,0.212,0.432,1,1,0.472984220843596,0.581983613234325,0.31,[-0.23:0.85],1,0.329,0.502,3.43,[2.23:4.63],1,0.429,0.336,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,79.2649,0.613,1.609420652,0.919710667,3.64286005258449,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2CCCC(C)C,"hydrindane,Custom_43,Custom_21",6845,"hydrindane,Custom_43,Custom_21",0,1,0.276,0.626,1,1,0.433,0.564,1,1,0.346,0.587,1,1,0.584,0.589,0,1,0.485,0.636,1,1,0.412,0.579,0,1,3,5,4395,[2500:7800],1,0.446,0.461,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,611.3,503.077,108.223,0,0,1093.573,1,2,0,0.0032717,0.8397356,32.474,9.364,13.252,3.596,5.067,-5.377,-4.316,-2.318,236.17,-0.942,132.226,-2.746,0,0,1,0.714,3,86.135,0,0,50.88,2,1,0,9,0,9,9,21,0.00221773979967889,0.06,[0.01:0.13],1,0.326,0.675,30.28,[10.5:77.81],1,0.226,0.44,-4.93,[-5.29:-4.57],1,0.215,0.486,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.452,0.68,1.08,[0.56:1.6],0,0.211,0.431,1,1,0.474441811214012,0.582712408419532,0.15,[-0.24:0.54],1,0.334,0.539,3.44,[2.24:4.64],1,0.427,0.334,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,79.0987,0.613,1.609420652,0.919710667,3.64295887940979,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2[C@H](C)[C@@H](C)CC,"hydrindane,Custom_43,Custom_22",6846,"hydrindane,Custom_43,Custom_22",0,1,0.578,0.747,1,1,0.353,0.523,1,1,0.343,0.583,1,1,0.527,0.539,1,1,0.447,0.613,1,1,0.405,0.586,0,1,3,5,3631,[2000:6500],1,0.41,0.46,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,574.774,469.12,105.653,0,0,1048.122,1,2,0,0.0034796,0.8681788,31.297,8.989,13.097,3.712,4.798,-4.869,-4.316,-1.857,249.797,-0.793,140.492,-2.795,0,0,1,0.633,3,100,0,0,50.88,2,0,0,9,0,9,9,21,0.00639496108188431,0.03,[0.02:0.04],1,0.352,0.756,16.26,[3:36.18],1,0.222,0.461,-4.93,[-5.29:-4.57],1,0.216,0.486,-10.82,[-10.96:-10.64],0,0.257,0.638,1.82,[1.57:2.07],1,0.415,0.665,1.05,[0.51:1.59],0,0.211,0.421,1,1,0.463854743719077,0.577418874672065,0.43,[0.04:0.84],1,0.305,0.525,3.26,[2.17:4.35],1,0.428,0.357,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,78.8966,0.574,1.609420652,0.919710667,3.56002624891289,1.931218512,0.932527188
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O=C(O)CCCC[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2CCCC,"hydrindane,Custom_47,Custom_6",6930,"hydrindane,Custom_47,Custom_6",0,1,0.32,0.648,1,1,0.439,0.568,1,1,0.317,0.549,0,1,0.539,0.627,0,1,0.451,0.644,1,1,0.435,0.51,0,1,3,5,4426,[2500:7900],1,0.518,0.47,2,0.45,1,0,0,1,0,8,0,-1,280.45,0,589.043,492.822,96.221,0,0,1039.566,1,2,0,0.0033953,0.8425309,30.313,8.77,12.245,3.461,4.804,-4.968,-4.026,-2.273,306.929,-0.822,175.524,-2.525,0,0,1,0.563,3,100,0,0,47.452,2,0,0,9,0,9,9,20,0.00902232220140816,0.02,[0:0.04],1,0.366,0.758,19.67,[10.12:38.63],1,0.239,0.509,-4.91,[-5.27:-4.55],1,0.225,0.491,-10.82,[-10.97:-10.65],1,0.292,0.662,1.82,[1.56:2.08],1,0.385,0.654,1.08,[0.56:1.6],0,0.215,0.433,1,1,0.462808732665192,0.576895869145122,0.45,[0.04:0.86],1,0.352,0.541,3.14,[2.24:4.04],1,0.439,0.408,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,8,2,1,1,37.3,72.101,0.652,1.609420652,0.919710667,3.64601140959124,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2[C@H](C)CC,"hydrindane,Custom_47,Custom_7",6931,"hydrindane,Custom_47,Custom_7",0,1,0.3,0.61,1,1,0.359,0.527,1,1,0.609,0.693,1,1,0.572,0.557,0,1,0.53,0.62,1,1,0.419,0.573,0,1,3,5,3600,[2000:6400],1,0.45,0.461,2,0.45,1,0,0,1,0,7,0,-1,280.45,0,559.397,451.33,108.067,0,0,1012.821,1,2,0,0.0035753,0.8718998,29.884,8.69,12.62,3.691,4.555,-4.587,-4.026,-1.797,236.973,-0.806,132.712,-2.839,0,0,1,0.535,3,96.12,0,0,50.879,2,0,0,9,0,9,9,20,0.0105193175681913,0.02,[0:0.04],1,0.362,0.756,19.67,[10.12:38.62],1,0.235,0.508,-4.91,[-5.27:-4.55],1,0.224,0.491,-10.82,[-10.96:-10.65],1,0.277,0.646,1.82,[1.56:2.08],1,0.401,0.659,0.86,[0.38:1.34],0,0.212,0.48,1,1,0.47222870430781,0.581605854966432,0.44,[0.04:0.85],1,0.345,0.539,2.87,[2.06:3.68],1,0.44,0.44,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,73.2729,0.613,1.609420652,0.919710667,3.55630250076729,1.931218512,0.932527188
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O=C(O)CCCC[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2C(C)(C)C,"hydrindane,Custom_47,Custom_9",6933,"hydrindane,Custom_47,Custom_9",1,1,0.217,0.5,1,1,0.411,0.519,1,1,0.272,0.532,0,1,0.478,0.67,1,1,0.433,0.62,1,1,0.414,0.605,0,1,4,5,6988,[3900:12000],1,0.47,0.726,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,548.22,439.844,108.376,0,0,1001.431,1,2,0,0.0036482,0.8829939,30.071,8.631,12.838,3.887,4.482,-4.545,-4.026,-1.618,235.38,-0.725,131.748,-2.941,0,0,1,0.548,3,95.639,0,0,50.858,2,0,0,9,0,9,9,20,0.00916233023492606,0.03,[0.02:0.04],1,0.324,0.74,30.18,[10.5:77.79],1,0.228,0.44,-4.81,[-5.14:-4.48],1,0.222,0.503,-10.82,[-10.96:-10.64],0,0.26,0.639,1.83,[1.58:2.08],1,0.535,0.704,1.06,[0.52:1.6],0,0.209,0.42,1,1,0.464684927699388,0.57783396666222,0.45,[0.04:0.86],1,0.349,0.54,2.85,[2.06:3.64],1,0.43,0.446,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,75.0541,0.573,1.609420652,0.919710667,3.84435289631089,1.931218512,0.932527188
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O=C(O)CCCC[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2C[C@@H](C)CC,"hydrindane,Custom_47,Custom_12",6936,"hydrindane,Custom_47,Custom_12",0,1,0.311,0.644,1,1,0.433,0.564,1,1,0.344,0.585,1,1,0.575,0.6,0,1,0.448,0.62,1,1,0.434,0.524,0,1,3,5,4400,[2500:7800],1,0.445,0.46,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,604.119,496.051,108.068,0,0,1084.57,1,2,0,0.0033106,0.8450478,32.114,9.287,13.171,3.578,5.012,-5.245,-4.316,-2.232,236.971,-0.928,132.711,-2.743,0,0,1,0.689,3,85.833,0,0,50.879,2,1,0,9,0,9,9,21,0.00302669795211134,0.03,[0.01:0.04],1,0.358,0.756,30.24,[10.5:77.78],1,0.226,0.44,-4.92,[-5.28:-4.56],1,0.216,0.487,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.387,0.655,0.86,[0.38:1.34],0,0.212,0.48,1,1,0.467208999761858,0.579096002693455,0.44,[0.04:0.85],1,0.33,0.535,3.44,[2.24:4.64],1,0.43,0.336,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,78.1383,0.613,1.609420652,0.919710667,3.64345267648619,1.931218512,0.932527188
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O=C(O)CCCC[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2CC(C)(C)C,"hydrindane,Custom_47,Custom_15",6939,"hydrindane,Custom_47,Custom_15",0,1,0.497,0.749,1,1,0.364,0.496,1,1,0.261,0.526,1,1,0.571,0.613,0,1,0.808,0.814,1,1,0.569,0.618,0,1,3,5,3573,[2000:6400],1,0.608,0.741,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,577.666,482.789,94.877,0,0,1052.677,1,2,0,0.0034622,0.8663334,31.479,8.95,12.973,3.645,4.902,-4.922,-4.316,-1.887,316.071,-0.701,181.182,-2.596,0,0,1,0.646,3,100,0,0,47.9,2,0,0,9,0,9,9,21,0.00894109298277885,0.06,[0.01:0.13],1,0.312,0.664,16.28,[3:36.19],1,0.221,0.46,-4.93,[-5.29:-4.57],1,0.215,0.486,-10.82,[-10.96:-10.64],0,0.248,0.635,1.95,[1.77:2.13],1,0.495,0.717,0.86,[0.38:1.34],0,0.213,0.481,1,1,0.463379853449028,0.57718142953704,0.44,[0.04:0.85],1,0.338,0.537,3.28,[2.18:4.38],1,0.418,0.35,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,79.8087,0.573,1.609420652,0.919710667,3.55303301620244,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2C(C)(C)CC,"hydrindane,Custom_47,Custom_16",6940,"hydrindane,Custom_47,Custom_16",1,1,0.262,0.438,1,1,0.404,0.516,1,1,0.262,0.527,0,1,0.779,0.798,1,1,0.439,0.612,1,1,0.418,0.57,0,1,3,5,3573,[2000:6400],1,0.511,0.734,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,568.293,460.226,108.067,0,0,1040.083,1,2,0,0.0035193,0.8735844,30.975,8.95,13.067,3.712,4.731,-4.75,-4.316,-1.77,236.973,-0.802,132.712,-2.839,0,0,1,0.612,3,100,0,0,50.879,2,0,0,9,0,9,9,21,0.00758931803184279,0.06,[0.01:0.13],1,0.331,0.674,16.18,[3:36.09],1,0.218,0.459,-4.92,[-5.28:-4.56],1,0.212,0.486,-10.82,[-10.96:-10.64],0,0.248,0.635,1.82,[1.57:2.07],1,0.463,0.684,1.06,[0.52:1.6],0,0.207,0.419,1,1,0.453273615796212,0.532923864536709,0.45,[0.04:0.86],1,0.308,0.527,3.37,[2.18:4.56],1,0.425,0.34,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,79.9025,0.573,1.609420652,0.919710667,3.55303301620244,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2CCCCCC,"hydrindane,Custom_47,Custom_17",6941,"hydrindane,Custom_47,Custom_17",0,1,0.303,0.641,1,1,0.429,0.561,1,1,0.341,0.587,0,1,0.542,0.611,0,1,0.57,0.626,1,1,0.434,0.524,0,1,3,5,4111,[2300:7300],1,0.401,0.501,2,0.40909091,1,0,0,1,0,10,0,-2,308.503,0,656.985,549.663,107.322,0,0,1163.887,1,2,0,0.0030442,0.8144858,34.004,10.012,13.463,3.259,5.522,-5.895,-4.606,-2.726,240.859,-1.118,135.066,-2.537,0,0,1,0.823,3,88.951,0,0,50.54,2,1,1,9,0,9,9,22,0.00114115379789121,0.03,[0.01:0.04],1,0.371,0.761,16.38,[3:36.22],1,0.218,0.46,-4.94,[-5.3:-4.58],1,0.203,0.483,-10.82,[-10.96:-10.65],0,0.266,0.642,1.82,[1.56:2.08],1,0.322,0.632,1.09,[0.57:1.61],0,0.21,0.43,1,1,0.446994708450876,0.568988857037964,0.09,[-0.33:0.51],1,0.308,0.534,4.11,[3.03:5],1,0.408,0.356,308.271530392001,58,22,20,2,0,0,2,0,0.95,10,2,1,1,37.3,77.9242,0.652,1.609420652,0.919710667,3.61394747678035,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2[C@H](C)CCCC,"hydrindane,Custom_47,Custom_18",6942,"hydrindane,Custom_47,Custom_18",0,1,0.295,0.638,1,1,0.429,0.56,1,1,0.378,0.636,1,1,0.883,0.712,1,1,0.57,0.646,1,1,0.432,0.565,0,1,4,5,5291,[3000:9400],1,0.351,0.441,2,0.40909091,1,0,0,1,0,9,0,-1,308.503,0,574.597,498.002,76.595,0,0,1101.707,1,2,0,0.0034807,0.8977988,32.157,9.374,13.233,3.072,5.349,-4.54,-4.606,-1.378,471.14,-0.612,278.934,-2.067,0,0,1,0.704,3,93.149,0,0,47.899,2,1,0,9,0,9,9,22,0.0762881978558336,0.03,[0.01:0.04],1,0.352,0.754,16.24,[3:36.09],1,0.216,0.459,-4.94,[-5.3:-4.58],1,0.206,0.484,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.357,0.645,1.08,[0.56:1.6],0,0.206,0.429,1,1,0.453636159565691,0.572309582595372,0.33,[-0.22:0.88],1,0.301,0.492,4.1,[2.97:5],1,0.416,0.355,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,80.6363,0.613,1.609420652,0.919710667,3.72353776153206,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2C[C@@H](C)CCC,"hydrindane,Custom_47,Custom_19",6943,"hydrindane,Custom_47,Custom_19",0,1,0.264,0.586,1,1,0.429,0.56,1,1,0.334,0.583,1,1,0.882,0.732,0,1,0.567,0.642,1,1,0.422,0.524,0,1,4,5,5292,[3000:9400],1,0.415,0.46,2,0.40909091,1,0,0,1,0,9,0,-2,308.503,0,631.729,523.353,108.376,0,0,1139.601,1,2,0,0.0031659,0.8352237,33.674,9.794,13.643,3.426,5.362,-5.591,-4.606,-2.391,235.38,-1.015,131.748,-2.653,0,0,1,0.8,3,87.833,0,0,50.858,2,1,0,9,0,9,9,22,0.00176013711275029,0.06,[0.01:0.12],1,0.345,0.684,16.29,[3:36.14],1,0.216,0.459,-4.94,[-5.3:-4.58],1,0.206,0.483,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.372,0.651,1.06,[0.52:1.6],0,0.208,0.419,1,1,0.457415149485548,0.5741990775553,0.32,[-0.23:0.87],1,0.307,0.494,4.04,[2.93:5],1,0.414,0.35,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,82.5901,0.613,1.609420652,0.919710667,3.72361983551546,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2CC[C@@H](C)CC,"hydrindane,Custom_47,Custom_20",6944,"hydrindane,Custom_47,Custom_20",0,1,0.3,0.64,1,1,0.429,0.56,1,1,0.34,0.588,1,1,0.536,0.582,0,1,0.524,0.606,1,1,0.434,0.515,0,1,4,5,5292,[3000:9400],1,0.359,0.443,2,0.40909091,1,0,0,1,0,9,0,-2,308.503,0,631.613,524.291,107.322,0,0,1139.72,1,2,0,0.0031665,0.835435,33.679,9.787,13.63,3.418,5.37,-5.589,-4.606,-2.387,240.858,-1.004,135.065,-2.633,0,0,1,0.801,3,88.059,0,0,50.54,2,1,0,9,0,9,9,22,0.00184970039665484,0.06,[0.01:0.12],1,0.339,0.681,16.29,[3:36.14],1,0.216,0.459,-4.93,[-5.29:-4.57],1,0.204,0.483,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.38,0.654,1.08,[0.56:1.6],0,0.208,0.43,1,1,0.461789725524796,0.576386365574924,0.32,[-0.23:0.87],1,0.306,0.494,4.05,[2.95:5],1,0.415,0.351,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,82.1765,0.613,1.609420652,0.919710667,3.72361983551546,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2CCCC(C)C,"hydrindane,Custom_47,Custom_21",6945,"hydrindane,Custom_47,Custom_21",0,1,0.568,0.736,1,1,0.429,0.56,1,1,0.339,0.587,1,1,0.586,0.589,0,1,0.567,0.629,1,1,0.507,0.587,0,1,4,5,5292,[3000:9400],1,0.376,0.445,2,0.40909091,1,0,0,1,0,9,0,-2,308.503,0,641.264,534.771,106.493,0,0,1149.617,1,2,0,0.0031188,0.8276186,34.075,9.87,13.675,3.436,5.438,-5.767,-4.606,-2.514,245.26,-1.015,137.736,-2.618,0,0,1,0.828,3,88.599,0,0,50.164,2,1,1,9,0,9,9,22,0.00127135581926403,0.06,[0.01:0.13],1,0.329,0.676,16.32,[3:36.17],1,0.217,0.46,-4.93,[-5.29:-4.57],1,0.204,0.483,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.397,0.66,1.08,[0.56:1.6],0,0.207,0.43,1,1,0.4632479149235,0.577115460274276,0.09,[-0.33:0.51],1,0.312,0.535,4.05,[2.95:5],1,0.413,0.35,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,82.0103,0.613,1.609420652,0.919710667,3.72361983551546,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2[C@H](C)[C@@H](C)CC,"hydrindane,Custom_47,Custom_22",6946,"hydrindane,Custom_47,Custom_22",0,1,0.571,0.746,1,1,0.348,0.52,1,1,0.334,0.582,1,1,0.828,0.69,1,1,0.532,0.613,1,1,0.42,0.6,0,1,3,5,4449,[2500:7900],1,0.411,0.443,2,0.40909091,1,0,0,1,0,8,0,-1,308.503,0,605.536,497.16,108.376,0,0,1103.704,1,2,0,0.0033029,0.8529564,32.879,9.484,13.569,3.583,5.134,-5.271,-4.606,-2.104,235.38,-0.912,131.748,-2.749,0,0,1,0.745,3,86.497,0,0,50.858,2,1,0,9,0,9,9,22,0.00294719608445308,0.06,[0.01:0.12],1,0.352,0.686,15.99,[3:34.83],1,0.213,0.468,-4.93,[-5.29:-4.57],1,0.207,0.484,-10.82,[-10.96:-10.64],0,0.245,0.633,1.82,[1.57:2.07],1,0.37,0.65,1.06,[0.52:1.6],0,0.207,0.419,1,1,0.450647318816189,0.570815162220621,0.42,[0.03:0.85],1,0.285,0.525,3.61,[2.41:4.81],1,0.42,0.337,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,81.8082,0.574,1.609420652,0.919710667,3.64826240574804,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2C[C@@H](C)C(C)C,"hydrindane,Custom_47,Custom_23",6947,"hydrindane,Custom_47,Custom_23",0,1,0.297,0.638,1,1,0.428,0.56,1,1,0.339,0.587,1,1,0.569,0.573,1,1,0.522,0.624,1,1,0.432,0.515,0,1,4,5,6663,[3700:12000],1,0.418,0.457,2,0.40909091,1,0,0,1,0,8,0,-1,308.503,0,619.808,511.432,108.376,0,0,1126.279,1,2,0,0.0032268,0.8446406,33.783,9.68,13.827,3.618,5.278,-5.534,-4.606,-2.238,235.38,-0.931,131.748,-2.749,0,0,1,0.807,3,87.34,0,0,50.858,2,1,0,9,0,9,9,22,0.00160898840509575,0.06,[0.01:0.13],1,0.335,0.677,16.21,[3:36.07],1,0.214,0.458,-4.93,[-5.29:-4.57],1,0.206,0.484,-10.82,[-10.96:-10.64],0,0.245,0.633,1.82,[1.57:2.07],1,0.404,0.663,1.05,[0.51:1.59],0,0.209,0.42,1,1,0.461291153152296,0.576137079388674,0.33,[-0.22:0.88],1,0.301,0.493,3.6,[2.4:4.8],1,0.418,0.335,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,83.5958,0.574,1.609420652,0.919710667,3.82366981326814,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2C(C)(C)CCC,"hydrindane,Custom_47,Custom_24",6948,"hydrindane,Custom_47,Custom_24",1,1,0.289,0.537,1,1,0.438,0.528,1,1,0.254,0.521,1,1,0.442,0.682,0,1,0.565,0.651,1,1,0.422,0.597,0,1,3,5,2080,[1200:3700],1,0.355,0.67,2,0.40909091,1,0,0,1,0,8,0,-1,308.503,0,561.876,468.347,93.529,0,0,1071.21,1,2,0,0.0035595,0.9011025,31.579,9.237,13.332,3.377,5.036,-4.469,-4.606,-1.325,325.512,-0.687,187.038,-2.475,0,0,1,0.661,3,88.444,0,0,47.899,2,1,0,9,0,9,9,22,0.0350544888985324,0.06,[0.01:0.13],1,0.338,0.676,15.95,[3:34.84],1,0.209,0.466,-4.94,[-5.3:-4.58],1,0.205,0.483,-10.82,[-10.96:-10.64],0,0.237,0.63,1.82,[1.57:2.07],1,0.396,0.66,1.06,[0.52:1.6],0,0.204,0.418,1,1,0.44569570060502,0.529134906941114,0.45,[0.04:0.86],1,0.286,0.521,3.61,[2.41:4.81],1,0.413,0.335,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,83.2277,0.573,1.609420652,0.919710667,3.31806333496276,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)CC[C@H]([C@@H]12)CC[C@@H]2CC(C)(C)CC,"hydrindane,Custom_47,Custom_25",6949,"hydrindane,Custom_47,Custom_25",1,1,0.246,0.559,1,1,0.438,0.528,1,1,0.254,0.521,1,1,0.867,0.743,0,1,0.562,0.64,1,1,0.466,0.565,0,1,3,5,2080,[1200:3700],1,0.412,0.677,2,0.40909091,1,0,0,1,0,8,0,-1,308.503,0,606.89,498.514,108.376,0,0,1101.492,1,2,0,0.0032955,0.8499161,32.791,9.458,13.499,3.587,5.119,-5.296,-4.606,-2.153,235.38,-0.919,131.748,-2.749,0,0,1,0.738,3,86.411,0,0,50.858,2,1,0,9,0,9,9,22,0.00278282252520607,0.13,[0.01:0.26],1,0.322,0.571,15.97,[3:34.82],1,0.21,0.466,-4.93,[-5.29:-4.57],1,0.205,0.483,-10.82,[-10.96:-10.64],0,0.237,0.63,1.95,[1.76:2.14],1,0.425,0.692,1.05,[0.51:1.59],0,0.21,0.42,1,1,0.45486919605956,0.572926100842306,0.32,[-0.23:0.87],1,0.302,0.493,3.61,[2.41:4.81],1,0.412,0.334,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,84.6571,0.573,1.609420652,0.919710667,3.31806333496276,1.931218512,0.932527188
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O=C(O)[C@@H](C)[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)[C@H](C)CCC,"hydrindane,,Custom_11",7185,"hydrindane,,Custom_11",0,1,0.356,0.595,1,1,0.364,0.531,1,1,0.339,0.563,1,1,0.49,0.618,1,1,0.439,0.614,1,1,0.415,0.602,0,1,3,5,3449,[1900:6100],1,0.512,0.611,2,0.47368421,1,0,0,1,0,5,0,-1,266.423,0,538.413,449.343,89.069,0,0,961.358,1,2,0,0.0037146,0.8749293,29.109,8.084,12.091,3.952,4.357,-4.529,-3.738,-1.748,358.801,-0.514,207.796,-2.681,0,0,1,0.477,3,100,0,0,45.433,2,0,0,9,0,9,9,19,0.0164411426311836,0.03,[0.02:0.04],1,0.369,0.75,19.37,[10.12:38.58],1,0.243,0.509,-4.62,[-4.9:-4.34],1,0.251,0.553,-10.82,[-10.97:-10.65],1,0.288,0.66,1.82,[1.56:2.08],1,0.482,0.679,0.81,[0.3:1.34],0,0.238,0.462,1,1,0.473962744380066,0.58247287500256,0.44,[0.04:0.86],1,0.365,0.544,3.22,[2.51:3.93],1,0.449,0.522,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,5,2,1,1,37.3,72.2546,0.574,1.624709484,0.918686155,3.53769319436739,1.949404529,0.934024125
O=C(O)[C@@H](C)[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)C[C@@H](C)CC,"hydrindane,,Custom_12",7186,"hydrindane,,Custom_12",0,1,0.326,0.613,1,1,0.404,0.551,1,1,0.342,0.567,1,1,0.489,0.61,0,1,0.444,0.629,1,1,0.413,0.507,0,1,3,5,3450,[1900:6100],1,0.452,0.602,2,0.47368421,1,0,0,1,0,5,0,-1,266.423,0,528.683,442.996,85.687,0,0,952.566,1,2,0,0.003783,0.885591,28.757,8.027,12.004,3.906,4.326,-4.351,-3.738,-1.576,386.303,-0.466,225.064,-2.619,0,0,1,0.454,3,100,0,0,44.9,2,0,0,9,0,9,9,19,0.028563906494709,0.03,[0.02:0.04],1,0.365,0.749,19.39,[10.12:38.61],1,0.244,0.509,-4.62,[-4.9:-4.34],1,0.252,0.554,-10.82,[-10.97:-10.65],1,0.288,0.66,1.81,[1.54:2.08],1,0.464,0.673,0.81,[0.3:1.34],0,0.241,0.464,1,1,0.480006293458302,0.585494649541677,0.43,[0.04:0.85],1,0.374,0.546,3.23,[2.52:3.94],1,0.444,0.52,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,5,2,1,1,37.3,72.6682,0.574,1.624709484,0.918686155,3.53781909507327,1.949404529,0.934024125
O=C(O)[C@@H](C)[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)CCC(C)C,"hydrindane,,Custom_13",7187,"hydrindane,,Custom_13",0,1,0.293,0.632,1,1,0.444,0.571,1,1,0.346,0.569,0,1,0.529,0.646,0,1,0.44,0.631,1,1,0.407,0.523,0,1,3,5,3450,[1900:6100],1,0.445,0.606,2,0.47368421,1,0,0,1,0,5,0,-1,266.423,0,540.106,453.318,86.788,0,0,966.998,1,2,0,0.003703,0.8755949,29.335,8.124,12.149,3.941,4.409,-4.56,-3.738,-1.737,377.126,-0.493,219.29,-2.639,0,0,1,0.493,3,100,0,0,45.294,2,0,0,9,0,9,9,19,0.0168677319631714,0.02,[0.01:0.03],1,0.347,0.741,19.4,[10.12:38.62],1,0.245,0.509,-4.63,[-4.91:-4.35],1,0.254,0.554,-10.82,[-10.97:-10.65],1,0.288,0.66,1.82,[1.56:2.08],1,0.573,0.713,0.81,[0.3:1.34],0,0.241,0.463,1,1,0.485030783292133,0.588006894458593,0.44,[0.04:0.86],1,0.384,0.55,3.24,[2.53:3.95],1,0.439,0.518,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,5,2,1,1,37.3,73.6286,0.574,1.624709484,0.918686155,3.53781909507327,1.949404529,0.934024125
O=C(O)[C@@H](C)[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)[C@H](C)C(C)C,"hydrindane,,Custom_14",7188,"hydrindane,,Custom_14",0,1,0.339,0.583,1,1,0.363,0.53,1,1,0.345,0.56,1,1,0.826,0.759,1,1,0.438,0.615,1,1,0.413,0.603,0,1,4,5,5665,[3200:10000],1,0.438,0.568,2,0.47368421,0,0,0,1,0,4,0,-1,266.423,0,517.729,430.507,87.222,0,0,938.225,1,2,0,0.003863,0.8952286,28.825,7.953,12.174,4.111,4.226,-4.314,-3.738,-1.42,373.57,-0.403,217.056,-2.743,0,0,1,0.458,3,100,0,0,45.518,2,0,0,9,0,9,9,19,0.0233503312004252,0.03,[0.01:0.05],1,0.368,0.743,19.43,[10.12:38.64],1,0.239,0.507,-4.62,[-4.9:-4.34],1,0.253,0.555,-10.82,[-10.96:-10.65],1,0.285,0.649,1.82,[1.56:2.08],1,0.54,0.701,0.81,[0.3:1.34],0,0.24,0.463,1,1,0.471260834584174,0.581121920104613,0.71,[0.07:1.35],1,0.35,0.46,3.04,[2.47:3.61],1,0.451,0.558,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,4,2,1,1,37.3,73.2603,0.535,1.624709484,0.918686155,3.75319991419942,1.949404529,0.934024125
O=C(O)[C@@H](C)[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)CC(C)(C)C,"hydrindane,,Custom_15",7189,"hydrindane,,Custom_15",0,1,0.251,0.575,1,1,0.419,0.517,1,1,0.278,0.557,1,1,0.573,0.638,0,1,0.434,0.633,1,1,0.406,0.615,0,1,3,5,3108,[1700:5500],1,0.432,0.569,2,0.47368421,0,0,0,1,0,4,0,-1,266.423,0,505.816,418.593,87.222,0,0,931.16,1,2,0,0.003954,0.9117076,28.543,7.981,12.215,4.082,4.184,-4.098,-3.738,-1.153,373.57,-0.377,217.056,-2.743,0,0,1,0.442,3,100,0,0,45.518,2,0,0,9,0,9,9,19,0.0384552290537572,0.03,[0.01:0.05],1,0.337,0.73,19.51,[10.12:38.71],1,0.236,0.506,-4.79,[-5.13:-4.45],1,0.26,0.517,-10.82,[-10.96:-10.65],1,0.272,0.644,1.83,[1.58:2.08],1,0.623,0.734,0.81,[0.3:1.34],0,0.243,0.464,1,1,0.47259849714967,0.581790751387361,0.43,[0.04:0.85],1,0.376,0.546,3.27,[2.56:3.98],1,0.436,0.517,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,4,2,1,1,37.3,74.3386,0.534,1.624709484,0.918686155,3.49248101012888,1.949404529,0.934024125
O=C(O)[C@@H](C)[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)C(C)(C)CC,"hydrindane,,Custom_16",7190,"hydrindane,,Custom_16",1,1,0.285,0.449,1,1,0.419,0.517,1,1,0.275,0.555,1,1,0.825,0.809,1,1,0.428,0.61,1,1,0.404,0.581,0,1,3,5,3108,[1700:5500],1,0.432,0.572,2,0.47368421,0,0,0,1,0,4,0,-1,266.423,0,510.212,422.989,87.222,0,0,929.88,1,2,0,0.0039199,0.9030241,28.491,7.918,12.116,4.093,4.174,-4.178,-3.738,-1.294,373.57,-0.391,217.056,-2.743,0,0,1,0.437,3,100,0,0,45.518,2,0,0,9,0,9,9,19,0.0319930915241055,0.03,[0.01:0.05],1,0.362,0.739,19.49,[10.12:38.67],1,0.233,0.506,-4.62,[-4.9:-4.34],1,0.249,0.554,-10.82,[-10.96:-10.65],1,0.272,0.644,1.83,[1.58:2.08],1,0.593,0.722,1.08,[0.44:1.72],0,0.236,0.394,1,1,0.458972789393487,0.535773451335347,0.73,[0.08:1.38],1,0.339,0.455,3.04,[2.47:3.61],1,0.45,0.558,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,4,2,1,1,37.3,74.4324,0.534,1.624709484,0.918686155,3.49248101012888,1.949404529,0.934024125
O=C(O)[C@@H](C)[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)CCCCCC,"hydrindane,,Custom_17",7191,"hydrindane,,Custom_17",0,1,0.322,0.65,1,1,0.439,0.567,1,1,0.287,0.548,1,1,0.533,0.618,0,1,0.447,0.632,1,1,0.419,0.512,0,1,3,5,3563,[2000:6300],1,0.507,0.483,2,0.45,1,0,0,1,0,7,0,-1,280.45,0,584.115,497.326,86.788,0,0,1039.835,1,2,0,0.003424,0.8497866,30.965,8.724,12.457,3.606,4.872,-5.04,-4.026,-2.155,377.126,-0.66,219.29,-2.447,0,0,1,0.607,3,100,0,0,45.294,2,0,0,9,0,9,9,20,0.00913866240902179,0.02,[0:0.04],1,0.368,0.758,19.46,[10.12:38.51],1,0.238,0.508,-4.74,[-5.13:-4.35],1,0.233,0.479,-10.82,[-10.96:-10.65],1,0.283,0.648,1.81,[1.55:2.07],1,0.395,0.657,1.33,[0.79:1.87],0,0.237,0.42,1,1,0.467667432592706,0.579325219108879,0.43,[0.04:0.84],1,0.373,0.548,2.87,[2.07:3.67],1,0.442,0.443,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,72.4541,0.613,1.609420652,0.919710667,3.55181582235102,1.931218512,0.932527188
O=C(O)[C@@H](C)[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)[C@H](C)CCCC,"hydrindane,,Custom_18",7192,"hydrindane,,Custom_18",0,1,0.309,0.605,1,1,0.398,0.547,1,1,0.323,0.552,1,1,0.492,0.618,1,1,0.442,0.618,1,1,0.421,0.565,0,1,4,5,6394,[3600:11000],1,0.43,0.697,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,570.008,480.939,89.069,0,0,1019.757,1,2,0,0.0035087,0.8595709,30.804,8.578,12.566,3.808,4.729,-4.944,-4.026,-1.997,358.801,-0.602,207.796,-2.585,0,0,1,0.595,3,100,0,0,45.433,2,0,0,9,0,9,9,20,0.00829617787149452,0.03,[0.02:0.04],1,0.363,0.752,19.47,[10.12:38.5],1,0.233,0.507,-4.74,[-5.13:-4.35],1,0.237,0.48,-10.82,[-10.96:-10.65],1,0.273,0.644,1.81,[1.56:2.06],1,0.453,0.678,1.08,[0.44:1.72],0,0.232,0.393,1,1,0.464917942842404,0.577950474233729,0.44,[0.04:0.85],1,0.355,0.542,2.64,[2.13:3.15],1,0.438,0.538,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,75.1662,0.574,1.609420652,0.919710667,3.80577263193567,1.931218512,0.932527188
O=C(O)[C@@H](C)[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)C[C@H](C)CCC,"hydrindane,,Custom_19",7193,"hydrindane,,Custom_19",0,1,0.282,0.628,1,1,0.438,0.567,1,1,0.321,0.551,1,1,0.493,0.595,0,1,0.446,0.627,1,1,0.42,0.63,0,1,4,5,6394,[3600:11000],1,0.432,0.694,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,563.132,475.91,87.222,0,0,1015.824,1,2,0,0.0035516,0.8678278,30.647,8.556,12.563,3.779,4.718,-4.818,-4.026,-1.863,373.57,-0.57,217.056,-2.551,0,0,1,0.585,3,100,0,0,45.518,2,0,0,9,0,9,9,20,0.0119933219756624,0.03,[0.02:0.04],1,0.356,0.749,19.48,[10.12:38.53],1,0.235,0.507,-4.74,[-5.13:-4.35],1,0.24,0.481,-10.82,[-10.96:-10.65],1,0.273,0.644,1.82,[1.56:2.08],1,0.484,0.682,0.81,[0.3:1.34],0,0.236,0.462,1,1,0.469176521863985,0.580079763744519,0.44,[0.04:0.85],1,0.366,0.546,2.94,[2:3.91],1,0.436,0.409,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,77.12,0.574,1.609420652,0.919710667,3.80577263193567,1.931218512,0.932527188
O=C(O)[C@@H](C)[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)CC[C@H](C)CC,"hydrindane,,Custom_20",7194,"hydrindane,,Custom_20",0,1,0.317,0.607,1,1,0.398,0.547,1,1,0.283,0.551,1,1,0.491,0.62,0,1,0.44,0.622,1,1,0.408,0.506,0,1,4,5,6393,[3600:11000],1,0.433,0.696,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,562.141,474.918,87.222,0,0,1017.289,1,2,0,0.0035578,0.8701944,30.705,8.579,12.611,3.776,4.728,-4.8,-4.026,-1.825,373.57,-0.566,217.056,-2.551,0,0,1,0.59,3,100,0,0,45.518,2,0,0,9,0,9,9,20,0.012505542674559,0.03,[0.02:0.04],1,0.349,0.744,19.51,[10.12:38.56],1,0.235,0.507,-4.74,[-5.13:-4.35],1,0.235,0.481,-10.82,[-10.96:-10.65],1,0.273,0.644,1.82,[1.56:2.08],1,0.503,0.689,0.81,[0.3:1.34],0,0.235,0.462,1,1,0.475106975378417,0.583044990501735,0.44,[0.04:0.85],1,0.368,0.547,2.83,[2.06:3.6],1,0.439,0.455,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,76.7064,0.574,1.609420652,0.919710667,3.80570470443386,1.931218512,0.932527188
O=C(O)[C@@H](C)[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)CCCC(C)C,"hydrindane,,Custom_21",7195,"hydrindane,,Custom_21",0,1,0.288,0.63,1,1,0.438,0.567,1,1,0.283,0.549,1,1,0.534,0.596,0,1,0.445,0.632,1,1,0.425,0.551,0,1,4,5,6393,[3600:11000],1,0.443,0.699,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,568.433,483.523,84.91,0,0,1024.276,1,2,0,0.0035184,0.8644979,30.985,8.608,12.623,3.776,4.788,-4.915,-4.026,-1.917,392.914,-0.556,229.23,-2.508,0,0,1,0.608,3,100,0,0,44.693,2,0,0,9,0,9,9,20,0.0105782601422624,0.03,[0.02:0.04],1,0.339,0.741,19.51,[10.12:38.56],1,0.235,0.507,-4.81,[-5.15:-4.47],1,0.237,0.508,-10.82,[-10.96:-10.65],1,0.273,0.644,1.83,[1.58:2.08],1,0.542,0.705,1.33,[0.79:1.87],0,0.233,0.419,1,1,0.477298532808676,0.584140769216864,0.44,[0.04:0.85],1,0.378,0.55,2.83,[2.05:3.61],1,0.437,0.452,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,76.5402,0.574,1.609420652,0.919710667,3.80570470443386,1.931218512,0.932527188
O=C(O)[C@@H](C)[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)[C@H](C)[C@H](C)CC,"hydrindane,,Custom_22",7196,"hydrindane,,Custom_22",0,1,0.615,0.762,1,1,0.397,0.546,1,1,0.322,0.547,1,1,0.526,0.61,1,1,0.441,0.617,1,1,0.414,0.604,0,1,3,5,3412,[1900:6100],1,0.436,0.592,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,540.568,453.779,86.788,0,0,986.32,1,2,0,0.0036998,0.8864618,30.108,8.354,12.562,3.942,4.535,-4.568,-4.026,-1.562,377.126,-0.474,219.29,-2.639,0,0,1,0.549,3,100,0,0,45.294,2,0,0,9,0,9,9,20,0.0174141969760132,0.03,[0.02:0.04],1,0.368,0.75,19.52,[10.12:38.56],1,0.23,0.505,-4.73,[-5.12:-4.34],1,0.237,0.481,-10.82,[-10.96:-10.65],1,0.269,0.642,1.81,[1.56:2.06],1,0.472,0.685,0.81,[0.3:1.34],0,0.235,0.462,1,1,0.460551214009546,0.536562663643377,0.71,[0.07:1.35],1,0.326,0.453,2.72,[2.11:3.33],1,0.441,0.521,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,76.3381,0.535,1.609420652,0.919710667,3.53300902249549,1.931218512,0.932527188
O=C(O)[C@@H](C)[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)C[C@H](C)C(C)C,"hydrindane,,Custom_23",7197,"hydrindane,,Custom_23",0,1,0.312,0.606,1,1,0.397,0.546,1,1,0.288,0.55,1,1,0.526,0.649,1,1,0.441,0.617,1,1,0.408,0.507,0,1,3,5,3413,[1900:6100],1,0.444,0.605,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,548.277,461.489,86.788,0,0,1000.478,1,2,0,0.0036478,0.882341,30.675,8.467,12.744,3.961,4.625,-4.709,-4.026,-1.628,377.126,-0.481,219.29,-2.639,0,0,1,0.587,3,100,0,0,45.294,2,0,0,9,0,9,9,20,0.0125894926346349,0.03,[0.02:0.04],1,0.351,0.744,19.55,[10.12:38.6],1,0.231,0.506,-4.62,[-4.9:-4.34],1,0.239,0.549,-10.82,[-10.96:-10.65],1,0.269,0.642,1.83,[1.58:2.08],1,0.549,0.707,0.81,[0.3:1.34],0,0.238,0.463,1,1,0.472504621939421,0.581743813782237,0.43,[0.04:0.84],1,0.354,0.541,2.71,[2.09:3.33],1,0.436,0.515,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,78.1257,0.535,1.609420652,0.919710667,3.53313628827864,1.931218512,0.932527188
O=C(O)[C@@H](C)[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)C(C)(C)CCC,"hydrindane,,Custom_24",7198,"hydrindane,,Custom_24",1,1,0.308,0.497,1,1,0.411,0.513,1,1,0.272,0.539,1,1,0.532,0.716,0,1,0.439,0.671,1,1,0.406,0.638,0,1,3,5,3420,[1900:6100],1,0.436,0.592,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,541.774,454.551,87.222,0,0,988.262,1,2,0,0.0036916,0.8856495,30.186,8.371,12.591,3.948,4.544,-4.59,-4.026,-1.575,373.57,-0.479,217.056,-2.647,0,0,1,0.554,3,100,0,0,45.518,2,0,0,9,0,9,9,20,0.0162509073087464,0.03,[0.02:0.04],1,0.358,0.747,19.56,[10.09:38.59],1,0.224,0.505,-4.74,[-5.13:-4.35],1,0.237,0.48,-10.82,[-10.96:-10.64],0,0.258,0.638,1.83,[1.58:2.08],1,0.542,0.705,1.08,[0.44:1.72],0,0.232,0.393,1,1,0.449699293847479,0.531136703562343,0.72,[0.08:1.36],1,0.328,0.453,2.74,[2.12:3.36],1,0.434,0.519,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,77.7576,0.534,1.609420652,0.919710667,3.53402610605613,1.931218512,0.932527188
O=C(O)[C@@H](C)[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)CC(C)(C)CC,"hydrindane,,Custom_25",7199,"hydrindane,,Custom_25",1,1,0.259,0.533,1,1,0.411,0.513,1,1,0.235,0.514,1,1,0.527,0.686,1,1,0.445,0.622,1,1,0.427,0.553,0,1,3,5,3421,[1900:6100],1,0.436,0.593,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,534.735,447.513,87.222,0,0,976.886,1,2,0,0.0037402,0.8904074,29.73,8.288,12.459,3.931,4.472,-4.462,-4.026,-1.498,373.57,-0.471,217.056,-2.647,0,0,1,0.523,3,100,0,0,45.518,2,0,0,9,0,9,9,20,0.0218473381766316,0.06,[0.01:0.13],1,0.337,0.669,19.62,[10.12:38.66],1,0.226,0.504,-4.8,[-5.14:-4.46],1,0.241,0.509,-10.82,[-10.96:-10.64],0,0.258,0.638,1.84,[1.6:2.08],1,0.619,0.738,0.81,[0.3:1.34],0,0.239,0.463,1,1,0.464415920419734,0.53849501684847,0.43,[0.04:0.84],1,0.353,0.54,2.72,[2.09:3.35],1,0.43,0.513,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,79.187,0.534,1.609420652,0.919710667,3.53415307418506,1.931218512,0.932527188
O=C(O)[C@@H](C)[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)CCC(C)(C)C,"hydrindane,,Custom_26",7200,"hydrindane,,Custom_26",0,1,0.176,0.523,1,1,0.371,0.493,1,1,0.238,0.515,1,1,0.529,0.648,0,1,0.435,0.632,1,1,0.444,0.621,0,1,3,5,3422,[1900:6100],1,0.42,0.587,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,557.269,470.047,87.222,0,0,1011.56,1,2,0,0.0035889,0.8745029,31.118,8.541,12.845,3.985,4.692,-4.873,-4.026,-1.755,373.57,-0.498,217.056,-2.647,0,0,1,0.617,3,100,0,0,45.518,2,0,0,9,0,9,9,20,0.00846250371496444,0.06,[0.01:0.13],1,0.32,0.657,19.65,[10.12:38.69],1,0.227,0.504,-4.8,[-5.13:-4.47],1,0.241,0.51,-10.82,[-10.96:-10.64],0,0.258,0.638,1.84,[1.61:2.07],1,0.633,0.744,0.81,[0.3:1.34],0,0.238,0.462,1,1,0.471947179018175,0.581465092321614,0.44,[0.04:0.85],1,0.379,0.55,2.72,[2.09:3.35],1,0.422,0.506,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,78.9012,0.534,1.609420652,0.919710667,3.53428000520508,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)CC[C@H]([C@@H]12)C[C@@H](C)C2,"hydrindane,Custom_43,Custom_1",7201,"hydrindane,Custom_43,Custom_1",0,1,0.361,0.573,1,1,0.425,0.564,1,1,0.406,0.615,0,1,0.489,0.727,0,1,0.459,0.684,0,1,0.387,0.647,0,1,4,5,5202,[2900:9300],1,0.489,0.602,2,0.5625,0,0,0,1,0,4,0,-1,224.342,0,478.472,370.314,108.157,0,0,830.82,1,2,0,0.00418,0.8932645,24.527,7.064,10.821,4.159,3.394,-3.602,-2.879,-1.452,236.507,-0.581,132.43,-3.129,0,0,1,0.16,3,89.306,0,0,50.947,2,0,0,9,0,9,9,16,0.0416907425657394,0.02,[0.01:0.03],1,0.351,0.756,7,[0.01:51.92],1,0.267,0.334,-4.67,[-4.9:-4.44],1,0.262,0.579,-10.88,[-11.02:-10.74],1,0.387,0.719,1.87,[1.53:2.21],1,0.39,0.619,0.71,[0.3:1.12],0,0.238,0.519,1,1,0.489605690957658,0.551089902117432,-0.31,[-0.64:0.02],1,0.314,0.581,2.65,[2.17:3.21],1,0.527,0.571,224.177630008,40,16,14,2,0,0,2,0,0.928571428571429,4,2,1,1,37.3,58.7482,0.652,1.574918909,0.917826007,3.71617034785985,1.926491984,0.924638525
O=C(O)CCC[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)CC,"hydrindane,Custom_43,Custom_3",7202,"hydrindane,Custom_43,Custom_3",0,1,0.342,0.568,1,1,0.419,0.56,1,1,0.402,0.636,0,1,0.451,0.72,0,1,0.467,0.639,0,1,0.423,0.586,0,1,4,5,6284,[3500:11000],1,0.417,0.678,2,0.52941176,1,0,0,1,0,5,0,-1,238.369,0,503.757,395.535,108.223,0,0,881.478,1,2,0,0.0039702,0.8825745,25.912,7.492,11.232,3.999,3.715,-3.897,-3.164,-1.625,236.17,-0.664,132.226,-3.034,0,0,1,0.256,3,91.172,0,0,50.88,2,0,0,9,0,9,9,17,0.0279126198015984,0.03,[0.02:0.04],1,0.352,0.762,6.17,[0.01:27.97],1,0.258,0.386,-4.79,[-5.12:-4.46],1,0.252,0.52,-10.79,[-10.96:-10.62],1,0.355,0.682,1.89,[1.54:2.24],1,0.399,0.62,0.71,[0.3:1.13],0,0.227,0.514,1,1,0.488941985545436,0.550758049411322,0.11,[-0.21:0.43],1,0.34,0.568,3.31,[2.52:4.1],1,0.469,0.491,238.193280072,43,17,15,2,0,0,2,0,0.933333333333333,5,2,1,1,37.3,61.826,0.652,1.568343624,0.914081282,3.79823617636794,1.928734681,0.924826502
O=C(O)CCC[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)CCC,"hydrindane,Custom_43,Custom_4",7203,"hydrindane,Custom_43,Custom_4",0,1,0.29,0.595,1,1,0.412,0.556,1,1,0.352,0.605,0,1,0.453,0.639,0,1,0.444,0.66,1,1,0.39,0.528,0,1,3,5,3523,[2000:6300],1,0.68,0.832,2,0.5,1,0,0,1,0,6,0,-1,252.396,0,535.354,427.131,108.223,0,0,939.878,1,2,0,0.0037358,0.866772,27.607,7.978,11.707,3.855,4.085,-4.31,-3.45,-1.88,236.169,-0.758,132.226,-2.938,0,0,1,0.373,3,93.342,0,0,50.88,2,0,0,9,0,9,9,18,0.0142594266834331,0.02,[0.01:0.03],1,0.348,0.746,19.58,[10.12:38.97],1,0.254,0.511,-4.8,[-5.13:-4.47],1,0.244,0.512,-10.82,[-10.97:-10.65],1,0.329,0.678,1.81,[1.54:2.08],1,0.421,0.657,0.88,[0.42:1.34],0,0.224,0.493,1,1,0.480764462797651,0.585873734211352,0.12,[-0.2:0.44],1,0.346,0.566,3.63,[3.05:4.14],1,0.42,0.529,252.208930136,46,18,16,2,0,0,2,0,0.9375,6,2,1,1,37.3,66.2778,0.652,1.65465485,0.920814116,3.54691264318124,1.974165103,0.935447087
O=C(O)CCC[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)C(C)C,"hydrindane,Custom_43,Custom_5",7204,"hydrindane,Custom_43,Custom_5",0,1,0.33,0.571,1,1,0.412,0.555,1,1,0.354,0.606,0,1,0.444,0.617,0,1,0.47,0.639,0,1,0.434,0.595,0,1,3,5,3207,[1800:5700],1,0.424,0.599,2,0.5,0,0,0,1,0,5,0,-1,252.396,0,522.205,413.982,108.223,0,0,926.744,1,2,0,0.0038299,0.8802999,27.724,7.915,11.915,4.044,4.004,-4.233,-3.45,-1.661,236.17,-0.669,132.226,-3.034,0,0,1,0.381,3,92.865,0,0,50.88,2,0,0,9,0,9,9,18,0.0136479927290491,0.02,[0.01:0.03],1,0.346,0.744,19.59,[10.12:38.95],1,0.251,0.51,-4.8,[-5.13:-4.47],1,0.243,0.514,-10.82,[-10.97:-10.65],1,0.312,0.671,1.81,[1.54:2.08],1,0.465,0.672,0.86,[0.38:1.34],0,0.219,0.483,1,1,0.494076620335829,0.592529812980441,0.13,[-0.19:0.45],1,0.351,0.567,3.57,[3.02:4.12],1,0.443,0.532,252.208930136,46,18,16,2,0,0,2,0,0.9375,5,2,1,1,37.3,67.2835,0.613,1.65465485,0.920814116,3.50609895992844,1.974165103,0.935447087
O=C(O)CCC[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)CCCC,"hydrindane,Custom_43,Custom_6",7205,"hydrindane,Custom_43,Custom_6",0,1,0.286,0.631,1,1,0.405,0.551,1,1,0.285,0.537,1,1,0.536,0.591,0,1,0.447,0.651,1,1,0.411,0.535,0,1,3,5,4161,[2300:7400],1,0.421,0.467,2,0.47368421,1,0,0,1,0,7,0,-1,266.423,0,563.899,456.597,107.303,0,0,995.371,1,2,0,0.0035467,0.8549754,29.186,8.459,12.154,3.697,4.445,-4.669,-3.738,-2.071,240.963,-0.837,135.129,-2.825,0,0,1,0.483,3,95.607,0,0,50.54,2,0,0,9,0,9,9,19,0.00853753884515796,0.02,[0:0.04],1,0.358,0.756,19.57,[10.12:38.71],1,0.247,0.51,-4.81,[-5.15:-4.47],1,0.235,0.506,-10.82,[-10.97:-10.65],1,0.309,0.67,1.81,[1.55:2.07],1,0.41,0.661,0.88,[0.41:1.35],0,0.219,0.491,1,1,0.473190047769294,0.582086526697173,0.19,[-0.13:0.51],1,0.348,0.569,3.26,[2.29:4.2],1,0.424,0.388,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,7,2,1,1,37.3,69.1894,0.652,1.624709484,0.918686155,3.61919771579295,1.949404529,0.934024125
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O=C(O)CCC[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)CCCCCC,"hydrindane,Custom_43,Custom_17",7216,"hydrindane,Custom_43,Custom_17",0,1,0.313,0.645,1,1,0.434,0.564,1,1,0.35,0.588,0,1,0.54,0.625,0,1,0.491,0.639,1,1,0.416,0.52,0,1,3,5,3666,[2100:6500],1,0.427,0.454,2,0.42857143,1,0,0,1,0,9,0,-2,294.476,0,629.668,521.295,108.372,0,0,1114.541,1,2,0,0.0031763,0.8256274,32.671,9.549,13.132,3.421,5.199,-5.553,-4.316,-2.546,235.399,-1.039,131.76,-2.653,0,0,1,0.728,3,86.879,0,0,50.857,2,1,0,9,0,9,9,21,0.00183411839238979,0.02,[0:0.04],1,0.373,0.761,30.24,[10.5:77.77],1,0.228,0.441,-4.93,[-5.29:-4.57],1,0.214,0.485,-10.82,[-10.96:-10.65],1,0.278,0.646,1.82,[1.56:2.08],1,0.354,0.643,1.08,[0.56:1.6],0,0.214,0.432,1,1,0.457715977134278,0.574349491379665,0.15,[-0.24:0.54],1,0.328,0.537,3.53,[2.33:4.73],1,0.42,0.333,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,9,2,1,1,37.3,75.0126,0.652,1.609420652,0.919710667,3.5641924606262,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)[C@H](C)CCCC,"hydrindane,Custom_43,Custom_18",7217,"hydrindane,Custom_43,Custom_18",0,1,0.305,0.642,1,1,0.433,0.564,1,1,0.348,0.589,1,1,0.58,0.561,0,1,0.485,0.62,1,1,0.417,0.561,0,1,3,5,4393,[2500:7800],1,0.438,0.459,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,611.866,503.495,108.371,0,0,1091.567,1,2,0,0.0032687,0.8379328,32.394,9.343,13.202,3.599,5.053,-5.388,-4.316,-2.347,235.408,-0.948,131.766,-2.749,0,0,1,0.708,3,86.026,0,0,50.856,2,1,0,9,0,9,9,21,0.00215163527366397,0.03,[0.02:0.04],1,0.353,0.757,30.25,[10.5:77.87],1,0.225,0.439,-4.93,[-5.29:-4.57],1,0.216,0.486,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.398,0.659,1.08,[0.56:1.6],0,0.21,0.431,1,1,0.464704664505867,0.57784383506546,0.44,[0.04:0.85],1,0.325,0.532,3.43,[2.23:4.63],1,0.428,0.337,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,77.7247,0.613,1.609420652,0.919710667,3.64276120326532,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)C[C@H](C)CCC,"hydrindane,Custom_43,Custom_19",7218,"hydrindane,Custom_43,Custom_19",0,1,0.312,0.644,1,1,0.433,0.564,1,1,0.342,0.598,1,1,0.88,0.732,1,1,0.487,0.639,1,1,0.407,0.576,0,1,3,5,4394,[2500:7800],1,0.494,0.473,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,606.58,498.263,108.317,0,0,1087.961,1,2,0,0.0032972,0.8433724,32.249,9.318,13.209,3.586,5.031,-5.29,-4.316,-2.259,235.685,-0.934,131.933,-2.748,0,0,1,0.699,3,85.907,0,0,50.856,2,1,0,9,0,9,9,21,0.00269824330692325,0.03,[0.02:0.04],1,0.345,0.754,30.24,[10.5:77.79],1,0.226,0.44,-4.93,[-5.29:-4.57],1,0.216,0.486,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.419,0.667,0.86,[0.38:1.34],0,0.212,0.48,1,1,0.468636285581536,0.579809645603294,0.31,[-0.23:0.85],1,0.329,0.502,3.43,[2.23:4.63],1,0.428,0.336,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,79.6785,0.613,1.609420652,0.919710667,3.64286005258449,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)CC[C@H](C)CC,"hydrindane,Custom_43,Custom_20",7219,"hydrindane,Custom_43,Custom_20",0,1,0.309,0.644,1,1,0.433,0.564,1,1,0.347,0.615,1,1,0.535,0.581,0,1,0.444,0.638,1,1,0.42,0.556,0,1,3,5,4394,[2500:7800],1,0.439,0.459,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,605.929,497.772,108.157,0,0,1090.032,1,2,0,0.0033007,0.8453492,32.332,9.34,13.262,3.583,5.046,-5.278,-4.316,-2.227,236.507,-0.928,132.43,-2.745,0,0,1,0.705,3,86.021,0,0,50.946,2,1,0,9,0,9,9,21,0.00279251155812342,0.03,[0.02:0.04],1,0.337,0.752,30.32,[10.5:77.9],1,0.225,0.44,-4.93,[-5.29:-4.57],1,0.215,0.486,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.43,0.671,1.08,[0.56:1.6],0,0.212,0.432,1,1,0.472984220843596,0.581983613234325,0.31,[-0.23:0.85],1,0.329,0.502,3.43,[2.23:4.63],1,0.429,0.336,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,79.2649,0.613,1.609420652,0.919710667,3.64286005258449,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)CCCC(C)C,"hydrindane,Custom_43,Custom_21",7220,"hydrindane,Custom_43,Custom_21",0,1,0.276,0.626,1,1,0.433,0.564,1,1,0.346,0.587,1,1,0.584,0.589,0,1,0.485,0.636,1,1,0.412,0.579,0,1,3,5,4395,[2500:7800],1,0.446,0.461,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,614.709,506.392,108.317,0,0,1098.33,1,2,0,0.0032536,0.837499,32.664,9.407,13.302,3.605,5.097,-5.44,-4.316,-2.354,235.685,-0.948,131.933,-2.748,0,0,1,0.727,3,86.292,0,0,50.856,2,1,0,9,0,9,9,21,0.00191159152204547,0.06,[0.01:0.13],1,0.326,0.675,30.28,[10.5:77.81],1,0.226,0.44,-4.93,[-5.29:-4.57],1,0.215,0.486,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.452,0.68,1.08,[0.56:1.6],0,0.211,0.431,1,1,0.474441811214012,0.582712408419532,0.15,[-0.24:0.54],1,0.334,0.539,3.44,[2.24:4.64],1,0.427,0.334,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,79.0987,0.613,1.609420652,0.919710667,3.64295887940979,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)[C@H](C)[C@H](C)CC,"hydrindane,Custom_43,Custom_22",7221,"hydrindane,Custom_43,Custom_22",0,1,0.578,0.747,1,1,0.353,0.523,1,1,0.343,0.583,1,1,0.527,0.539,1,1,0.447,0.613,1,1,0.405,0.586,0,1,3,5,3631,[2000:6500],1,0.41,0.46,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,586.595,478.372,108.223,0,0,1061.56,1,2,0,0.0034095,0.8579396,31.835,9.102,13.238,3.757,4.865,-5.086,-4.316,-2.023,236.17,-0.839,132.226,-2.842,0,0,1,0.669,3,100,0,0,50.88,2,0,0,9,0,9,9,21,0.00347930980563921,0.03,[0.02:0.04],1,0.352,0.756,16.26,[3:36.18],1,0.222,0.461,-4.93,[-5.29:-4.57],1,0.216,0.486,-10.82,[-10.96:-10.64],0,0.257,0.638,1.82,[1.57:2.07],1,0.415,0.665,1.05,[0.51:1.59],0,0.211,0.421,1,1,0.463854743719077,0.577418874672065,0.43,[0.04:0.84],1,0.305,0.525,3.26,[2.17:4.35],1,0.428,0.357,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,78.8966,0.574,1.609420652,0.919710667,3.56002624891289,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)C[C@H](C)C(C)C,"hydrindane,Custom_43,Custom_23",7222,"hydrindane,Custom_43,Custom_23",0,1,0.307,0.643,1,1,0.433,0.563,1,1,0.347,0.588,1,1,0.567,0.572,0,1,0.442,0.638,1,1,0.421,0.557,0,1,3,5,3632,[2000:6500],1,0.501,0.481,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,593.069,484.845,108.225,0,0,1074.393,1,2,0,0.0033723,0.8553983,32.349,9.215,13.412,3.773,4.947,-5.205,-4.316,-2.064,236.16,-0.844,132.22,-2.842,0,0,1,0.705,3,100,0,0,50.88,2,0,0,9,0,9,9,21,0.00264535599145655,0.06,[0.01:0.13],1,0.332,0.676,16.31,[3:36.23],1,0.223,0.461,-4.92,[-5.28:-4.56],1,0.217,0.487,-10.82,[-10.96:-10.64],0,0.257,0.638,1.82,[1.57:2.07],1,0.461,0.683,0.86,[0.38:1.34],0,0.214,0.481,1,1,0.47487668015929,0.582929842892171,0.43,[0.04:0.84],1,0.322,0.531,3.26,[2.17:4.35],1,0.428,0.355,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,80.6842,0.574,1.609420652,0.919710667,3.56014583984905,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)C(C)(C)CCC,"hydrindane,Custom_43,Custom_24",7223,"hydrindane,Custom_43,Custom_24",1,1,0.295,0.539,1,1,0.444,0.53,1,1,0.264,0.528,1,1,0.442,0.681,1,1,0.477,0.644,1,1,0.407,0.626,0,1,3,5,3576,[2000:6400],1,0.493,0.716,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,585.432,477.39,108.042,0,0,1060.817,1,2,0,0.0034163,0.8592428,31.805,9.097,13.238,3.753,4.861,-5.064,-4.316,-2.002,237.106,-0.834,132.793,-2.839,0,0,1,0.668,3,100,0,0,50.939,2,0,0,9,0,9,9,21,0.0036829276054375,0.06,[0.01:0.13],1,0.338,0.676,16.16,[3:36.08],1,0.217,0.459,-4.93,[-5.29:-4.57],1,0.214,0.485,-10.82,[-10.96:-10.64],0,0.249,0.635,1.82,[1.57:2.07],1,0.452,0.68,1.06,[0.52:1.6],0,0.209,0.419,1,1,0.450948140297572,0.531761126787389,0.44,[0.04:0.85],1,0.308,0.526,3.27,[2.18:4.36],1,0.419,0.355,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,80.3161,0.573,1.609420652,0.919710667,3.55339751012388,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)CC(C)(C)CC,"hydrindane,Custom_43,Custom_25",7224,"hydrindane,Custom_43,Custom_25",1,1,0.25,0.559,1,1,0.444,0.536,1,1,0.263,0.527,1,1,0.527,0.579,0,1,0.441,0.637,1,1,0.412,0.588,0,1,3,5,3575,[2000:6400],1,0.491,0.717,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,579.933,471.71,108.223,0,0,1050.886,1,2,0,0.0034487,0.8619676,31.408,9.014,13.115,3.741,4.797,-4.963,-4.316,-1.958,236.169,-0.829,132.226,-2.842,0,0,1,0.64,3,100,0,0,50.88,2,0,0,9,0,9,9,21,0.00461114742562448,0.12,[0.01:0.25],1,0.319,0.571,16.25,[3:36.17],1,0.219,0.46,-4.93,[-5.29:-4.57],1,0.215,0.486,-10.82,[-10.96:-10.64],0,0.249,0.635,1.95,[1.77:2.13],1,0.492,0.716,0.86,[0.38:1.34],0,0.215,0.481,1,1,0.466608212051804,0.578795608838428,0.43,[0.04:0.84],1,0.322,0.531,3.27,[2.18:4.36],1,0.421,0.354,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,81.7455,0.573,1.609420652,0.919710667,3.5532760461371,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)CCC(C)(C)C,"hydrindane,Custom_43,Custom_26",7225,"hydrindane,Custom_43,Custom_26",0,1,0.206,0.54,1,1,0.404,0.51,1,1,0.267,0.528,1,1,0.534,0.581,1,1,0.468,0.63,1,1,0.42,0.522,0,1,3,5,3575,[2000:6400],1,0.608,0.743,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,602.467,494.244,108.223,0,0,1085.561,1,2,0,0.0033197,0.8478802,32.795,9.303,13.501,3.796,5.017,-5.377,-4.316,-2.186,236.17,-0.862,132.226,-2.842,0,0,1,0.735,3,85.841,0,0,50.88,2,1,0,9,0,9,9,21,0.00177701842166347,0.12,[0.01:0.25],1,0.304,0.565,16.28,[3:36.2],1,0.22,0.46,-4.93,[-5.29:-4.57],1,0.215,0.486,-10.82,[-10.96:-10.64],0,0.249,0.635,1.83,[1.58:2.08],1,0.503,0.693,1.08,[0.56:1.6],0,0.214,0.432,1,1,0.475288199211434,0.583135602418243,0.15,[-0.24:0.54],1,0.338,0.541,3.28,[2.18:4.38],1,0.417,0.351,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,81.4597,0.573,1.609420652,0.919710667,3.5532760461371,1.931218512,0.932527188
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O=C(O)CCCC[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)[C@H](C)CCC,"hydrindane,Custom_47,Custom_11",7310,"hydrindane,Custom_47,Custom_11",0,1,0.303,0.642,1,1,0.433,0.564,1,1,0.345,0.586,1,1,0.58,0.561,0,1,0.572,0.635,1,1,0.423,0.558,0,1,3,5,4400,[2500:7800],1,0.437,0.458,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,599.251,504.479,94.772,0,0,1082.62,1,2,0,0.0033375,0.85089,32.036,9.187,12.991,3.476,5.092,-5.155,-4.316,-2.137,316.794,-0.791,181.63,-2.498,0,0,1,0.685,3,88.561,0,0,47.984,2,1,0,9,0,9,9,21,0.00653965308785226,0.03,[0.01:0.04],1,0.354,0.754,30.21,[10.5:77.78],1,0.225,0.44,-4.93,[-5.29:-4.57],1,0.216,0.487,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.398,0.659,1.08,[0.56:1.6],0,0.209,0.43,1,1,0.46201298557862,0.576497995601836,0.45,[0.04:0.86],1,0.325,0.533,3.44,[2.24:4.64],1,0.431,0.337,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,77.7247,0.613,1.609420652,0.919710667,3.64345267648619,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)C[C@@H](C)CC,"hydrindane,Custom_47,Custom_12",7311,"hydrindane,Custom_47,Custom_12",0,1,0.311,0.644,1,1,0.433,0.564,1,1,0.344,0.585,1,1,0.575,0.6,0,1,0.448,0.62,1,1,0.434,0.524,0,1,3,5,4400,[2500:7800],1,0.445,0.46,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,607.364,499.299,108.066,0,0,1088.411,1,2,0,0.0032929,0.8425154,32.267,9.319,13.202,3.586,5.036,-5.305,-4.316,-2.273,236.98,-0.934,132.717,-2.743,0,0,1,0.7,3,85.976,0,0,50.879,2,1,0,9,0,9,9,21,0.00263793088950806,0.03,[0.01:0.04],1,0.358,0.756,30.24,[10.5:77.78],1,0.226,0.44,-4.92,[-5.28:-4.56],1,0.216,0.487,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.387,0.655,0.86,[0.38:1.34],0,0.212,0.48,1,1,0.467208999761858,0.579096002693455,0.44,[0.04:0.85],1,0.33,0.535,3.44,[2.24:4.64],1,0.43,0.336,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,78.1383,0.613,1.609420652,0.919710667,3.64345267648619,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)CCC(C)C,"hydrindane,Custom_47,Custom_13",7312,"hydrindane,Custom_47,Custom_13",0,1,0.274,0.593,1,1,0.433,0.564,1,1,0.349,0.59,1,1,0.538,0.583,0,1,0.441,0.617,1,1,0.436,0.515,0,1,3,5,4401,[2500:7800],1,0.451,0.461,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,616.229,508.168,108.061,0,0,1099.213,1,2,0,0.0032455,0.8358799,32.7,9.411,13.292,3.607,5.104,-5.468,-4.316,-2.38,237.005,-0.95,132.731,-2.743,0,0,1,0.729,3,86.377,0,0,50.939,2,1,0,9,0,9,9,21,0.0018117327400534,0.06,[0.01:0.13],1,0.326,0.675,30.25,[10.5:77.77],1,0.226,0.44,-4.92,[-5.28:-4.56],1,0.215,0.487,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.452,0.68,1.08,[0.56:1.6],0,0.212,0.432,1,1,0.470776476502413,0.580879741063733,0.16,[-0.24:0.56],1,0.337,0.539,3.44,[2.24:4.64],1,0.427,0.334,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,79.0987,0.613,1.609420652,0.919710667,3.64355136856294,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)[C@H](C)C(C)C,"hydrindane,Custom_47,Custom_14",7313,"hydrindane,Custom_47,Custom_14",0,1,0.59,0.757,1,1,0.353,0.523,1,1,0.342,0.582,1,1,0.569,0.556,0,1,0.529,0.619,1,1,0.421,0.562,0,1,3,5,3634,[2000:6500],1,0.425,0.462,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,592.925,484.861,108.064,0,0,1069.251,1,2,0,0.0033731,0.8528743,32.143,9.16,13.3,3.772,4.914,-5.202,-4.316,-2.105,236.991,-0.849,132.723,-2.839,0,0,1,0.69,3,100,0,0,50.878,2,0,0,9,0,9,9,21,0.00267978362382191,0.06,[0.01:0.13],1,0.342,0.681,16.28,[3:36.19],1,0.223,0.461,-4.92,[-5.28:-4.56],1,0.216,0.487,-10.82,[-10.96:-10.64],0,0.257,0.638,1.82,[1.57:2.07],1,0.439,0.675,1.06,[0.52:1.6],0,0.21,0.42,1,1,0.461977954446399,0.576480480035726,0.44,[0.04:0.85],1,0.316,0.53,3.36,[2.17:4.55],1,0.43,0.34,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,78.7304,0.574,1.609420652,0.919710667,3.56038492297202,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)CC(C)(C)C,"hydrindane,Custom_47,Custom_15",7314,"hydrindane,Custom_47,Custom_15",0,1,0.497,0.749,1,1,0.364,0.496,1,1,0.261,0.526,1,1,0.571,0.613,0,1,0.808,0.814,1,1,0.569,0.618,0,1,3,5,3573,[2000:6400],1,0.608,0.741,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,580.891,472.52,108.371,0,0,1061.689,1,2,0,0.003443,0.8664341,31.84,9.129,13.336,3.745,4.866,-4.981,-4.316,-1.886,235.407,-0.821,131.765,-2.845,0,0,1,0.671,3,100,0,0,50.856,2,0,0,9,0,9,9,21,0.00440052097887288,0.06,[0.01:0.13],1,0.312,0.664,16.28,[3:36.19],1,0.221,0.46,-4.93,[-5.29:-4.57],1,0.215,0.486,-10.82,[-10.96:-10.64],0,0.248,0.635,1.95,[1.77:2.13],1,0.495,0.717,0.86,[0.38:1.34],0,0.213,0.481,1,1,0.463379853449028,0.57718142953704,0.44,[0.04:0.85],1,0.338,0.537,3.28,[2.18:4.38],1,0.418,0.35,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,79.8087,0.573,1.609420652,0.919710667,3.55303301620244,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)C(C)(C)CC,"hydrindane,Custom_47,Custom_16",7315,"hydrindane,Custom_47,Custom_16",1,1,0.262,0.438,1,1,0.404,0.516,1,1,0.262,0.527,0,1,0.779,0.798,1,1,0.439,0.612,1,1,0.418,0.57,0,1,3,5,3573,[2000:6400],1,0.511,0.734,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,584.19,476.133,108.057,0,0,1059.471,1,2,0,0.0034235,0.8603401,31.751,9.088,13.229,3.751,4.853,-5.041,-4.316,-1.984,237.024,-0.832,132.743,-2.839,0,0,1,0.664,3,100,0,0,50.939,2,0,0,9,0,9,9,21,0.00387879730163407,0.06,[0.01:0.13],1,0.331,0.674,16.18,[3:36.09],1,0.218,0.459,-4.92,[-5.28:-4.56],1,0.212,0.486,-10.82,[-10.96:-10.64],0,0.248,0.635,1.82,[1.57:2.07],1,0.463,0.684,1.06,[0.52:1.6],0,0.207,0.419,1,1,0.453273615796212,0.532923864536709,0.45,[0.04:0.86],1,0.308,0.527,3.37,[2.18:4.56],1,0.425,0.34,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,79.9025,0.573,1.609420652,0.919710667,3.55303301620244,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)CCCCCC,"hydrindane,Custom_47,Custom_17",7316,"hydrindane,Custom_47,Custom_17",0,1,0.303,0.641,1,1,0.429,0.561,1,1,0.341,0.587,0,1,0.542,0.611,0,1,0.57,0.626,1,1,0.434,0.524,0,1,3,5,4111,[2300:7300],1,0.401,0.501,2,0.40909091,1,0,0,1,0,10,0,-2,308.503,0,661.603,554.282,107.321,0,0,1169.789,1,2,0,0.003023,0.8115319,34.24,10.07,13.516,3.27,5.56,-5.98,-4.606,-2.774,240.865,-1.126,135.07,-2.537,0,0,1,0.839,3,89.171,0,0,50.54,2,1,1,9,0,9,9,22,0.000937498071904301,0.03,[0.01:0.04],1,0.371,0.761,16.38,[3:36.22],1,0.218,0.46,-4.94,[-5.3:-4.58],1,0.203,0.483,-10.82,[-10.96:-10.65],0,0.266,0.642,1.82,[1.56:2.08],1,0.322,0.632,1.09,[0.57:1.61],0,0.21,0.43,1,1,0.446994708450876,0.568988857037964,0.09,[-0.33:0.51],1,0.308,0.534,4.11,[3.03:5],1,0.408,0.356,308.271530392001,58,22,20,2,0,0,2,0,0.95,10,2,1,1,37.3,77.9242,0.652,1.609420652,0.919710667,3.61394747678035,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)[C@H](C)CCCC,"hydrindane,Custom_47,Custom_18",7317,"hydrindane,Custom_47,Custom_18",0,1,0.295,0.638,1,1,0.429,0.56,1,1,0.378,0.636,1,1,0.883,0.712,1,1,0.57,0.646,1,1,0.432,0.565,0,1,4,5,5291,[3000:9400],1,0.351,0.441,2,0.40909091,1,0,0,1,0,9,0,-2,308.503,0,633.7,525.327,108.373,0,0,1142.84,1,2,0,0.0031561,0.8342029,33.804,9.823,13.681,3.431,5.383,-5.627,-4.606,-2.407,235.397,-1.017,131.758,-2.653,0,0,1,0.809,3,87.955,0,0,50.856,2,1,0,9,0,9,9,22,0.00161898152014877,0.03,[0.01:0.04],1,0.352,0.754,16.24,[3:36.09],1,0.216,0.459,-4.94,[-5.3:-4.58],1,0.206,0.484,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.357,0.645,1.08,[0.56:1.6],0,0.206,0.429,1,1,0.453636159565691,0.572309582595372,0.33,[-0.22:0.88],1,0.301,0.492,4.1,[2.97:5],1,0.416,0.355,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,80.6363,0.613,1.609420652,0.919710667,3.72353776153206,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)CC[C@H]([C@@H]12)C[C@H](C2)C[C@H](C)CCC,"hydrindane,Custom_47,Custom_19",7318,"hydrindane,Custom_47,Custom_19",0,1,0.264,0.586,1,1,0.429,0.56,1,1,0.334,0.583,1,1,0.882,0.732,0,1,0.567,0.642,1,1,0.422,0.524,0,1,4,5,5292,[3000:9400],1,0.415,0.46,2,0.40909091,1,0,0,1,0,9,0,-2,308.503,0,639.455,531.082,108.373,0,0,1147.691,1,2,0,0.0031277,0.8290326,33.998,9.866,13.693,3.445,5.413,-5.734,-4.606,-2.491,235.397,-1.03,131.758,-2.653,0,0,1,0.822,3,88.133,0,0,50.856,2,1,1,9,0,9,9,22,0.00126771426347444,0.06,[0.01:0.12],1,0.345,0.684,16.29,[3:36.14],1,0.216,0.459,-4.94,[-5.3:-4.58],1,0.206,0.483,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.372,0.651,1.06,[0.52:1.6],0,0.208,0.419,1,1,0.457415149485548,0.5741990775553,0.32,[-0.23:0.87],1,0.307,0.494,4.04,[2.93:5],1,0.414,0.35,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,82.5901,0.613,1.609420652,0.919710667,3.72361983551546,1.931218512,0.932527188
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O=C(O)[C@@H](C)[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2[C@@H](C)C(C)C,"hydrindane,,Custom_14",7563,"hydrindane,,Custom_14",0,1,0.339,0.583,1,1,0.363,0.53,1,1,0.345,0.56,1,1,0.826,0.759,1,1,0.438,0.615,1,1,0.413,0.603,0,1,4,5,5665,[3200:10000],1,0.438,0.568,2,0.47368421,0,0,0,1,0,4,0,-1,266.423,0,508.72,421.497,87.223,0,0,925.332,1,2,0,0.0039314,0.9027158,28.309,7.874,12.041,4.089,4.144,-4.15,-3.738,-1.299,373.564,-0.391,217.052,-2.743,0,0,1,0.424,3,100,0,0,45.518,2,0,0,9,0,9,9,19,0.0340533715751799,0.03,[0.01:0.05],1,0.368,0.743,19.43,[10.12:38.64],1,0.239,0.507,-4.62,[-4.9:-4.34],1,0.253,0.555,-10.82,[-10.96:-10.65],1,0.285,0.649,1.82,[1.56:2.08],1,0.54,0.701,0.81,[0.3:1.34],0,0.24,0.463,1,1,0.471260834584174,0.581121920104613,0.71,[0.07:1.35],1,0.35,0.46,3.04,[2.47:3.61],1,0.451,0.558,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,4,2,1,1,37.3,73.2603,0.535,1.624709484,0.918686155,3.75319991419942,1.949404529,0.934024125
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O=C(O)[C@@H](C)[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2C(C)(C)CC,"hydrindane,,Custom_16",7565,"hydrindane,,Custom_16",1,1,0.285,0.449,1,1,0.419,0.517,1,1,0.275,0.555,1,1,0.825,0.809,1,1,0.428,0.61,1,1,0.404,0.581,0,1,3,5,3108,[1700:5500],1,0.432,0.572,2,0.47368421,0,0,0,1,0,4,0,-1,266.423,0,500.424,413.201,87.223,0,0,917.78,1,2,0,0.0039966,0.9126819,28.007,7.864,12.012,4.069,4.098,-4,-3.738,-1.137,373.564,-0.376,217.052,-2.743,0,0,1,0.405,3,96.981,0,0,45.518,2,0,0,9,0,9,9,19,0.0481790676799372,0.03,[0.01:0.05],1,0.362,0.739,19.49,[10.12:38.67],1,0.233,0.506,-4.62,[-4.9:-4.34],1,0.249,0.554,-10.82,[-10.96:-10.65],1,0.272,0.644,1.83,[1.58:2.08],1,0.593,0.722,1.08,[0.44:1.72],0,0.236,0.394,1,1,0.458972789393487,0.535773451335347,0.73,[0.08:1.38],1,0.339,0.455,3.04,[2.47:3.61],1,0.45,0.558,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,4,2,1,1,37.3,74.4324,0.534,1.624709484,0.918686155,3.49248101012888,1.949404529,0.934024125
O=C(O)[C@@H](C)[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2CCCCCC,"hydrindane,,Custom_17",7566,"hydrindane,,Custom_17",0,1,0.322,0.65,1,1,0.439,0.567,1,1,0.287,0.548,1,1,0.533,0.618,0,1,0.447,0.632,1,1,0.419,0.512,0,1,3,5,3563,[2000:6300],1,0.507,0.483,2,0.45,1,0,0,1,0,7,0,-1,280.45,0,572.48,487.57,84.91,0,0,1026.173,1,2,0,0.0034936,0.8594457,30.419,8.609,12.319,3.565,4.799,-4.827,-4.026,-1.999,392.916,-0.625,229.232,-2.412,0,0,1,0.57,3,100,0,0,44.692,2,0,0,9,0,9,9,20,0.0161816750860021,0.02,[0:0.04],1,0.368,0.758,19.46,[10.12:38.51],1,0.238,0.508,-4.74,[-5.13:-4.35],1,0.233,0.479,-10.82,[-10.96:-10.65],1,0.283,0.648,1.81,[1.55:2.07],1,0.395,0.657,1.33,[0.79:1.87],0,0.237,0.42,1,1,0.467667432592706,0.579325219108879,0.43,[0.04:0.84],1,0.373,0.548,2.87,[2.07:3.67],1,0.442,0.443,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,72.4541,0.613,1.609420652,0.919710667,3.55181582235102,1.931218512,0.932527188
O=C(O)[C@@H](C)[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2[C@@H](C)CCCC,"hydrindane,,Custom_18",7567,"hydrindane,,Custom_18",0,1,0.309,0.605,1,1,0.398,0.547,1,1,0.323,0.552,1,1,0.492,0.618,1,1,0.442,0.618,1,1,0.421,0.565,0,1,4,5,6394,[3600:11000],1,0.43,0.697,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,553.792,468.104,85.688,0,0,1003.495,1,2,0,0.0036115,0.8753103,30.153,8.458,12.422,3.746,4.651,-4.647,-4.026,-1.742,386.3,-0.544,225.062,-2.523,0,0,1,0.552,3,100,0,0,44.9,2,0,0,9,0,9,9,20,0.0189772992151971,0.03,[0.02:0.04],1,0.363,0.752,19.47,[10.12:38.5],1,0.233,0.507,-4.74,[-5.13:-4.35],1,0.237,0.48,-10.82,[-10.96:-10.65],1,0.273,0.644,1.81,[1.56:2.06],1,0.453,0.678,1.08,[0.44:1.72],0,0.232,0.393,1,1,0.464917942842404,0.577950474233729,0.44,[0.04:0.85],1,0.355,0.542,2.64,[2.13:3.15],1,0.438,0.538,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,75.1662,0.574,1.609420652,0.919710667,3.80577263193567,1.931218512,0.932527188
O=C(O)[C@@H](C)[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2C[C@H](C)CCC,"hydrindane,,Custom_19",7568,"hydrindane,,Custom_19",0,1,0.282,0.628,1,1,0.438,0.567,1,1,0.321,0.551,1,1,0.493,0.595,0,1,0.446,0.627,1,1,0.42,0.63,0,1,4,5,6394,[3600:11000],1,0.432,0.694,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,561.782,474.559,87.223,0,0,1013.362,1,2,0,0.0035601,0.8685072,30.548,8.536,12.531,3.775,4.702,-4.793,-4.026,-1.852,373.564,-0.569,217.052,-2.551,0,0,1,0.579,3,100,0,0,45.518,2,0,0,9,0,9,9,20,0.0126956893794588,0.03,[0.02:0.04],1,0.356,0.749,19.48,[10.12:38.53],1,0.235,0.507,-4.74,[-5.13:-4.35],1,0.24,0.481,-10.82,[-10.96:-10.65],1,0.273,0.644,1.82,[1.56:2.08],1,0.484,0.682,0.81,[0.3:1.34],0,0.236,0.462,1,1,0.469176521863985,0.580079763744519,0.44,[0.04:0.85],1,0.366,0.546,2.94,[2:3.91],1,0.436,0.409,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,77.12,0.574,1.609420652,0.919710667,3.80577263193567,1.931218512,0.932527188
O=C(O)[C@@H](C)[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2CC[C@@H](C)CC,"hydrindane,,Custom_20",7569,"hydrindane,,Custom_20",0,1,0.317,0.607,1,1,0.398,0.547,1,1,0.283,0.551,1,1,0.491,0.62,0,1,0.44,0.622,1,1,0.408,0.506,0,1,4,5,6393,[3600:11000],1,0.433,0.696,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,562.222,474.999,87.223,0,0,1015.65,1,2,0,0.0035573,0.8691336,30.64,8.559,12.574,3.777,4.717,-4.801,-4.026,-1.842,373.564,-0.568,217.052,-2.551,0,0,1,0.585,3,100,0,0,45.518,2,0,0,9,0,9,9,20,0.0124622023007818,0.03,[0.02:0.04],1,0.349,0.744,19.51,[10.12:38.56],1,0.235,0.507,-4.74,[-5.13:-4.35],1,0.235,0.481,-10.82,[-10.96:-10.65],1,0.273,0.644,1.82,[1.56:2.08],1,0.503,0.689,0.81,[0.3:1.34],0,0.235,0.462,1,1,0.475106975378417,0.583044990501735,0.44,[0.04:0.85],1,0.368,0.547,2.83,[2.06:3.6],1,0.439,0.455,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,76.7064,0.574,1.609420652,0.919710667,3.80570470443386,1.931218512,0.932527188
O=C(O)[C@@H](C)[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2CCCC(C)C,"hydrindane,,Custom_21",7570,"hydrindane,,Custom_21",0,1,0.288,0.63,1,1,0.438,0.567,1,1,0.283,0.549,1,1,0.534,0.596,0,1,0.445,0.632,1,1,0.425,0.551,0,1,4,5,6393,[3600:11000],1,0.443,0.699,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,568.445,483.536,84.91,0,0,1023.176,1,2,0,0.0035184,0.8638596,30.941,8.595,12.598,3.776,4.781,-4.915,-4.026,-1.927,392.916,-0.557,229.232,-2.508,0,0,1,0.605,3,100,0,0,44.692,2,0,0,9,0,9,9,20,0.0105727985040259,0.03,[0.02:0.04],1,0.339,0.741,19.51,[10.12:38.56],1,0.235,0.507,-4.81,[-5.15:-4.47],1,0.237,0.508,-10.82,[-10.96:-10.65],1,0.273,0.644,1.83,[1.58:2.08],1,0.542,0.705,1.33,[0.79:1.87],0,0.233,0.419,1,1,0.477298532808676,0.584140769216864,0.44,[0.04:0.85],1,0.378,0.55,2.83,[2.05:3.61],1,0.437,0.452,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,76.5402,0.574,1.609420652,0.919710667,3.80570470443386,1.931218512,0.932527188
O=C(O)[C@@H](C)[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2[C@@H](C)[C@H](C)CC,"hydrindane,,Custom_22",7571,"hydrindane,,Custom_22",0,1,0.615,0.762,1,1,0.397,0.546,1,1,0.322,0.547,1,1,0.526,0.61,1,1,0.441,0.617,1,1,0.414,0.604,0,1,3,5,3412,[1900:6100],1,0.436,0.592,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,529.58,442.792,86.788,0,0,971.765,1,2,0,0.0037766,0.8959308,29.526,8.265,12.424,3.916,4.444,-4.367,-4.026,-1.408,377.132,-0.459,219.294,-2.639,0,0,1,0.51,3,100,0,0,45.294,2,0,0,9,0,9,9,20,0.0276355247340621,0.03,[0.02:0.04],1,0.368,0.75,19.52,[10.12:38.56],1,0.23,0.505,-4.73,[-5.12:-4.34],1,0.237,0.481,-10.82,[-10.96:-10.65],1,0.269,0.642,1.81,[1.56:2.06],1,0.472,0.685,0.81,[0.3:1.34],0,0.235,0.462,1,1,0.460551214009546,0.536562663643377,0.71,[0.07:1.35],1,0.326,0.453,2.72,[2.11:3.33],1,0.441,0.521,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,76.3381,0.535,1.609420652,0.919710667,3.53300902249549,1.931218512,0.932527188
O=C(O)[C@@H](C)[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2C[C@H](C)C(C)C,"hydrindane,,Custom_23",7572,"hydrindane,,Custom_23",0,1,0.312,0.606,1,1,0.397,0.546,1,1,0.288,0.55,1,1,0.526,0.649,1,1,0.441,0.617,1,1,0.408,0.507,0,1,3,5,3413,[1900:6100],1,0.444,0.605,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,549.889,462.666,87.223,0,0,1000.084,1,2,0,0.0036371,0.8795233,30.659,8.455,12.716,3.967,4.619,-4.738,-4.026,-1.674,373.564,-0.49,217.052,-2.647,0,0,1,0.586,3,100,0,0,45.518,2,0,0,9,0,9,9,20,0.0115482594970624,0.03,[0.02:0.04],1,0.351,0.744,19.55,[10.12:38.6],1,0.231,0.506,-4.62,[-4.9:-4.34],1,0.239,0.549,-10.82,[-10.96:-10.65],1,0.269,0.642,1.83,[1.58:2.08],1,0.549,0.707,0.81,[0.3:1.34],0,0.238,0.463,1,1,0.472504621939421,0.581743813782237,0.43,[0.04:0.84],1,0.354,0.541,2.71,[2.09:3.33],1,0.436,0.515,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,78.1257,0.535,1.609420652,0.919710667,3.53313628827864,1.931218512,0.932527188
O=C(O)[C@@H](C)[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2C(C)(C)CCC,"hydrindane,,Custom_24",7573,"hydrindane,,Custom_24",1,1,0.308,0.497,1,1,0.411,0.513,1,1,0.272,0.539,1,1,0.532,0.716,0,1,0.439,0.671,1,1,0.406,0.638,0,1,3,5,3420,[1900:6100],1,0.436,0.592,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,530.235,443.012,87.223,0,0,974.505,1,2,0,0.0037719,0.8965052,29.635,8.296,12.48,3.92,4.458,-4.379,-4.026,-1.399,373.564,-0.461,217.052,-2.647,0,0,1,0.517,3,100,0,0,45.518,2,0,0,9,0,9,9,20,0.0263931365089482,0.03,[0.02:0.04],1,0.358,0.747,19.56,[10.09:38.59],1,0.224,0.505,-4.74,[-5.13:-4.35],1,0.237,0.48,-10.82,[-10.96:-10.64],0,0.258,0.638,1.83,[1.58:2.08],1,0.542,0.705,1.08,[0.44:1.72],0,0.232,0.393,1,1,0.449699293847479,0.531136703562343,0.72,[0.08:1.36],1,0.328,0.453,2.74,[2.12:3.36],1,0.434,0.519,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,77.7576,0.534,1.609420652,0.919710667,3.53402610605613,1.931218512,0.932527188
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O=C(O)CCC[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2CCC(C)C,"hydrindane,Custom_43,Custom_13",7587,"hydrindane,Custom_43,Custom_13",0,1,0.284,0.629,1,1,0.439,0.567,1,1,0.314,0.549,1,1,0.536,0.587,0,1,0.441,0.637,1,1,0.423,0.517,0,1,3,5,3596,[2000:6400],1,0.457,0.463,2,0.45,1,0,0,1,0,7,0,-1,280.45,0,583.603,475.23,108.373,0,0,1040.241,1,2,0,0.003427,0.8507528,30.982,8.883,12.826,3.751,4.725,-5.031,-4.026,-2.139,235.397,-0.857,131.758,-2.845,0,0,1,0.608,3,100,0,0,50.856,2,0,0,9,0,9,9,20,0.00373655331099849,0.03,[0.02:0.04],1,0.325,0.741,19.71,[10.12:38.67],1,0.236,0.508,-4.91,[-5.27:-4.55],1,0.226,0.49,-10.82,[-10.96:-10.65],1,0.278,0.646,1.83,[1.58:2.08],1,0.512,0.694,0.86,[0.38:1.34],0,0.216,0.482,1,1,0.481818985355275,0.586400995490164,0.43,[0.04:0.84],1,0.348,0.539,3.1,[2.21:3.99],1,0.434,0.408,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,76.1871,0.613,1.609420652,0.919710667,3.55581968306119,1.931218512,0.932527188
O=C(O)CCC[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2[C@@H](C)C(C)C,"hydrindane,Custom_43,Custom_14",7588,"hydrindane,Custom_43,Custom_14",0,1,0.338,0.592,1,1,0.398,0.547,1,1,0.611,0.693,1,1,0.567,0.555,1,1,0.445,0.612,1,1,0.404,0.58,0,1,4,5,6389,[3600:11000],1,0.448,0.698,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,553.875,445.65,108.224,0,0,999.311,1,2,0,0.0036109,0.8727452,29.986,8.568,12.698,3.899,4.468,-4.648,-4.026,-1.784,236.161,-0.745,132.221,-2.938,0,0,1,0.54,3,95.58,0,0,50.88,2,0,0,9,0,9,9,20,0.00726720958298871,0.03,[0.02:0.04],1,0.344,0.745,19.7,[10.12:38.66],1,0.231,0.507,-4.91,[-5.27:-4.55],1,0.224,0.489,-10.82,[-10.96:-10.65],1,0.27,0.643,1.82,[1.56:2.08],1,0.49,0.685,0.86,[0.38:1.34],0,0.214,0.481,1,1,0.475325913907184,0.583154459766118,0.43,[0.04:0.84],1,0.332,0.533,2.83,[2.05:3.61],1,0.436,0.452,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,75.8188,0.574,1.609420652,0.919710667,3.80543288813214,1.931218512,0.932527188
O=C(O)CCC[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2CC(C)(C)C,"hydrindane,Custom_43,Custom_15",7589,"hydrindane,Custom_43,Custom_15",0,1,0.241,0.601,1,1,0.411,0.513,1,1,0.228,0.519,1,1,0.872,0.811,0,1,0.766,0.794,1,1,0.465,0.625,0,1,4,5,6987,[3900:12000],1,0.517,0.742,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,552.853,444.808,108.045,0,0,1001.399,1,2,0,0.0036176,0.8755748,30.069,8.598,12.757,3.896,4.483,-4.63,-4.026,-1.738,237.086,-0.738,132.781,-2.935,0,0,1,0.546,3,95.699,0,0,50.939,2,0,0,9,0,9,9,20,0.00764460494944654,0.06,[0.01:0.13],1,0.312,0.659,30.15,[10.5:77.68],1,0.229,0.441,-4.92,[-5.28:-4.56],1,0.225,0.488,-10.82,[-10.96:-10.64],0,0.261,0.639,1.84,[1.6:2.08],1,0.574,0.72,0.86,[0.38:1.34],0,0.218,0.482,1,1,0.474876470106522,0.582929737865787,0.42,[0.04:0.83],1,0.346,0.537,2.86,[2.06:3.66],1,0.419,0.439,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,76.8971,0.573,1.609420652,0.919710667,3.84429074325434,1.931218512,0.932527188
O=C(O)CCC[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2C(C)(C)CC,"hydrindane,Custom_43,Custom_16",7590,"hydrindane,Custom_43,Custom_16",1,1,0.268,0.441,1,1,0.411,0.513,1,1,0.27,0.531,0,1,0.779,0.799,1,1,0.432,0.614,1,1,0.406,0.643,0,1,4,5,6986,[3900:12000],1,0.453,0.727,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,543.824,435.6,108.224,0,0,990.1,1,2,0,0.0036777,0.8834041,29.617,8.527,12.661,3.875,4.41,-4.465,-4.026,-1.611,236.161,-0.723,132.221,-2.938,0,0,1,0.516,3,95.245,0,0,50.88,2,0,0,9,0,9,9,20,0.0110957543182052,0.03,[0.02:0.04],1,0.333,0.738,30.24,[10.5:77.94],1,0.226,0.439,-4.91,[-5.27:-4.55],1,0.22,0.488,-10.82,[-10.96:-10.64],0,0.261,0.639,1.83,[1.58:2.08],1,0.529,0.701,1.08,[0.56:1.6],0,0.211,0.431,1,1,0.464571487088137,0.577777246356595,0.43,[0.04:0.85],1,0.325,0.531,2.84,[2.07:3.61],1,0.433,0.453,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,76.9909,0.573,1.609420652,0.919710667,3.84422858130163,1.931218512,0.932527188
O=C(O)CCC[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2CCCCCC,"hydrindane,Custom_43,Custom_17",7591,"hydrindane,Custom_43,Custom_17",0,1,0.313,0.645,1,1,0.434,0.564,1,1,0.35,0.588,0,1,0.54,0.625,0,1,0.491,0.639,1,1,0.416,0.52,0,1,3,5,3666,[2100:6500],1,0.427,0.454,2,0.42857143,1,0,0,1,0,9,0,-1,294.476,0,620.352,522.297,98.054,0,0,1103.874,1,2,0,0.003224,0.8326707,32.244,9.381,12.884,3.328,5.203,-5.381,-4.316,-2.432,294.883,-0.922,168.09,-2.463,0,0,1,0.699,3,88.654,0,0,47.725,2,1,0,9,0,9,9,21,0.00422049943769258,0.02,[0:0.04],1,0.373,0.761,30.24,[10.5:77.77],1,0.228,0.441,-4.93,[-5.29:-4.57],1,0.214,0.485,-10.82,[-10.96:-10.65],1,0.278,0.646,1.82,[1.56:2.08],1,0.354,0.643,1.08,[0.56:1.6],0,0.214,0.432,1,1,0.457715977134278,0.574349491379665,0.15,[-0.24:0.54],1,0.328,0.537,3.53,[2.33:4.73],1,0.42,0.333,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,9,2,1,1,37.3,75.0126,0.652,1.609420652,0.919710667,3.5641924606262,1.931218512,0.932527188
O=C(O)CCC[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2[C@@H](C)CCCC,"hydrindane,Custom_43,Custom_18",7592,"hydrindane,Custom_43,Custom_18",0,1,0.305,0.642,1,1,0.433,0.564,1,1,0.348,0.589,1,1,0.58,0.561,0,1,0.485,0.62,1,1,0.417,0.561,0,1,3,5,4393,[2500:7800],1,0.438,0.459,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,599.68,491.635,108.045,0,0,1079.541,1,2,0,0.0033351,0.8486683,31.912,9.247,13.134,3.567,4.98,-5.163,-4.316,-2.173,237.086,-0.919,132.781,-2.743,0,0,1,0.676,3,100,0,0,50.939,2,0,0,9,0,9,9,21,0.00365621274998999,0.03,[0.02:0.04],1,0.353,0.757,30.25,[10.5:77.87],1,0.225,0.439,-4.93,[-5.29:-4.57],1,0.216,0.486,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.398,0.659,1.08,[0.56:1.6],0,0.21,0.431,1,1,0.464704664505867,0.57784383506546,0.44,[0.04:0.85],1,0.325,0.532,3.43,[2.23:4.63],1,0.428,0.337,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,77.7247,0.613,1.609420652,0.919710667,3.64276120326532,1.931218512,0.932527188
O=C(O)CCC[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2C[C@H](C)CCC,"hydrindane,Custom_43,Custom_19",7593,"hydrindane,Custom_43,Custom_19",0,1,0.312,0.644,1,1,0.433,0.564,1,1,0.342,0.598,1,1,0.88,0.732,1,1,0.487,0.639,1,1,0.407,0.576,0,1,3,5,4394,[2500:7800],1,0.494,0.473,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,606.937,498.713,108.224,0,0,1087.342,1,2,0,0.0032952,0.8425559,32.225,9.31,13.188,3.586,5.028,-5.297,-4.316,-2.272,236.161,-0.935,132.221,-2.746,0,0,1,0.697,3,85.902,0,0,50.88,2,1,0,9,0,9,9,21,0.0026680835465244,0.03,[0.02:0.04],1,0.345,0.754,30.24,[10.5:77.79],1,0.226,0.44,-4.93,[-5.29:-4.57],1,0.216,0.486,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.419,0.667,0.86,[0.38:1.34],0,0.212,0.48,1,1,0.468636285581536,0.579809645603294,0.31,[-0.23:0.85],1,0.329,0.502,3.43,[2.23:4.63],1,0.428,0.336,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,79.6785,0.613,1.609420652,0.919710667,3.64286005258449,1.931218512,0.932527188
O=C(O)CCC[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2CC[C@@H](C)CC,"hydrindane,Custom_43,Custom_20",7594,"hydrindane,Custom_43,Custom_20",0,1,0.309,0.644,1,1,0.433,0.564,1,1,0.347,0.615,1,1,0.535,0.581,0,1,0.444,0.638,1,1,0.42,0.556,0,1,3,5,4394,[2500:7800],1,0.439,0.459,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,605.874,497.828,108.045,0,0,1088.215,1,2,0,0.003301,0.8444865,32.26,9.32,13.221,3.582,5.035,-5.277,-4.316,-2.241,237.086,-0.929,132.781,-2.743,0,0,1,0.7,3,85.975,0,0,50.939,2,1,0,9,0,9,9,21,0.00281240675277722,0.03,[0.02:0.04],1,0.337,0.752,30.32,[10.5:77.9],1,0.225,0.44,-4.93,[-5.29:-4.57],1,0.215,0.486,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.43,0.671,1.08,[0.56:1.6],0,0.212,0.432,1,1,0.472984220843596,0.581983613234325,0.31,[-0.23:0.85],1,0.329,0.502,3.43,[2.23:4.63],1,0.429,0.336,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,79.2649,0.613,1.609420652,0.919710667,3.64286005258449,1.931218512,0.932527188
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O=C(O)CCCC[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2CC,"hydrindane,Custom_47,Custom_3",7677,"hydrindane,Custom_47,Custom_3",0,1,0.333,0.571,1,1,0.412,0.556,1,1,0.37,0.614,0,1,0.452,0.681,0,1,0.529,0.677,1,1,0.426,0.547,0,1,3,5,3527,[2000:6300],1,0.638,0.832,2,0.5,1,0,0,1,0,6,0,-1,252.396,0,533.111,424.954,108.157,0,0,938.448,1,2,0,0.0037516,0.8695364,27.55,7.976,11.712,3.849,4.077,-4.269,-3.45,-1.836,236.508,-0.752,132.431,-2.937,0,0,1,0.369,3,93.306,0,0,50.947,2,0,0,9,0,9,9,18,0.0157128459309863,0.02,[0:0.04],1,0.363,0.761,19.62,[10.12:39.01],1,0.254,0.511,-4.79,[-5.12:-4.46],1,0.246,0.517,-10.82,[-10.97:-10.65],1,0.328,0.678,1.88,[1.53:2.23],1,0.397,0.621,0.71,[0.3:1.13],0,0.222,0.513,1,1,0.480220536995343,0.546397325136275,0.14,[-0.19:0.47],1,0.361,0.569,3.29,[2.58:4],1,0.414,0.54,252.208930136,46,18,16,2,0,0,2,0,0.9375,6,2,1,1,37.3,64.7376,0.652,1.65465485,0.920814116,3.54740545966749,1.974165103,0.935447087
O=C(O)CCCC[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2CCC,"hydrindane,Custom_47,Custom_4",7678,"hydrindane,Custom_47,Custom_4",0,1,0.285,0.63,1,1,0.405,0.551,1,1,0.285,0.537,0,1,0.538,0.629,0,1,0.493,0.642,1,1,0.426,0.544,0,1,3,5,4173,[2300:7400],1,0.479,0.476,2,0.47368421,1,0,0,1,0,7,0,-1,266.423,0,562.136,454.076,108.06,0,0,994.012,1,2,0,0.0035579,0.8568754,29.132,8.458,12.166,3.697,4.432,-4.637,-3.738,-2.04,237.01,-0.84,132.735,-2.839,0,0,1,0.48,3,95.398,0,0,50.939,2,0,0,9,0,9,9,19,0.0089056730241143,0.02,[0:0.04],1,0.358,0.756,19.58,[10.12:38.72],1,0.248,0.511,-4.81,[-5.14:-4.48],1,0.235,0.509,-10.82,[-10.97:-10.65],1,0.309,0.669,1.81,[1.55:2.07],1,0.41,0.661,0.88,[0.42:1.34],0,0.219,0.491,1,1,0.470919930772199,0.580951468198626,0.45,[0.04:0.87],1,0.358,0.542,3.25,[2.28:4.2],1,0.426,0.388,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,7,2,1,1,37.3,69.1894,0.652,1.624709484,0.918686155,3.62044838471171,1.949404529,0.934024125
O=C(O)CCCC[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2C(C)C,"hydrindane,Custom_47,Custom_5",7679,"hydrindane,Custom_47,Custom_5",0,1,0.322,0.611,1,1,0.405,0.551,1,1,0.288,0.537,1,1,0.489,0.606,0,1,0.524,0.625,1,1,0.421,0.544,0,1,4,5,6233,[3500:11000],1,0.507,0.713,2,0.47368421,1,0,0,1,0,6,0,-1,266.423,0,543.949,435.885,108.064,0,0,971.844,1,2,0,0.0036768,0.8723112,28.887,8.306,12.26,3.874,4.292,-4.467,-3.738,-1.791,236.99,-0.745,132.723,-2.935,0,0,1,0.463,3,94.582,0,0,50.878,2,0,0,9,0,9,9,19,0.0105572565815395,0.03,[0.02:0.04],1,0.346,0.746,19.59,[10.12:38.71],1,0.245,0.51,-4.8,[-5.13:-4.47],1,0.235,0.51,-10.82,[-10.97:-10.65],1,0.293,0.663,1.82,[1.56:2.08],1,0.457,0.671,0.86,[0.38:1.34],0,0.215,0.481,1,1,0.483998298788811,0.587490652206932,0.45,[0.04:0.87],1,0.362,0.543,2.95,[2.09:3.81],1,0.425,0.442,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,6,2,1,1,37.3,70.1951,0.613,1.624709484,0.918686155,3.794697126892,1.949404529,0.934024125
O=C(O)CCCC[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2CCCC,"hydrindane,Custom_47,Custom_6",7680,"hydrindane,Custom_47,Custom_6",0,1,0.32,0.648,1,1,0.439,0.568,1,1,0.317,0.549,0,1,0.539,0.627,0,1,0.451,0.644,1,1,0.435,0.51,0,1,3,5,4426,[2500:7900],1,0.518,0.47,2,0.45,1,0,0,1,0,8,0,-1,280.45,0,594.978,486.915,108.063,0,0,1053.749,1,2,0,0.0033615,0.841697,30.88,8.988,12.65,3.556,4.813,-5.077,-4.026,-2.286,236.997,-0.936,132.727,-2.743,0,0,1,0.602,3,100,0,0,50.94,2,0,0,9,0,9,9,20,0.00424622974946477,0.02,[0:0.04],1,0.366,0.758,19.67,[10.12:38.63],1,0.239,0.509,-4.91,[-5.27:-4.55],1,0.225,0.491,-10.82,[-10.97:-10.65],1,0.292,0.662,1.82,[1.56:2.08],1,0.385,0.654,1.08,[0.56:1.6],0,0.215,0.433,1,1,0.462808732665192,0.576895869145122,0.45,[0.04:0.86],1,0.352,0.541,3.14,[2.24:4.04],1,0.439,0.408,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,8,2,1,1,37.3,72.101,0.652,1.609420652,0.919710667,3.64601140959124,1.931218512,0.932527188
O=C(O)CCCC[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2[C@H](C)CC,"hydrindane,Custom_47,Custom_7",7681,"hydrindane,Custom_47,Custom_7",0,1,0.3,0.61,1,1,0.359,0.527,1,1,0.609,0.693,1,1,0.572,0.557,0,1,0.53,0.62,1,1,0.419,0.573,0,1,3,5,3600,[2000:6400],1,0.45,0.461,2,0.45,1,0,0,1,0,7,0,-1,280.45,0,570.656,462.59,108.066,0,0,1023.762,1,2,0,0.0035047,0.8608422,30.322,8.754,12.674,3.718,4.623,-4.793,-4.026,-1.976,236.979,-0.831,132.716,-2.839,0,0,1,0.564,3,96.52,0,0,50.879,2,0,0,9,0,9,9,20,0.00654195578038677,0.02,[0:0.04],1,0.362,0.756,19.67,[10.12:38.62],1,0.235,0.508,-4.91,[-5.27:-4.55],1,0.224,0.491,-10.82,[-10.96:-10.65],1,0.277,0.646,1.82,[1.56:2.08],1,0.401,0.659,0.86,[0.38:1.34],0,0.212,0.48,1,1,0.47222870430781,0.581605854966432,0.44,[0.04:0.85],1,0.345,0.539,2.87,[2.06:3.68],1,0.44,0.44,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,73.2729,0.613,1.609420652,0.919710667,3.55630250076729,1.931218512,0.932527188
O=C(O)CCCC[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2CC(C)C,"hydrindane,Custom_47,Custom_8",7682,"hydrindane,Custom_47,Custom_8",0,1,0.572,0.739,1,1,0.439,0.567,1,1,0.61,0.694,1,1,0.577,0.582,0,1,0.485,0.647,1,1,0.42,0.547,0,1,3,5,3601,[2000:6400],1,0.507,0.474,2,0.45,1,0,0,1,0,7,0,-1,280.45,0,582.682,474.616,108.066,0,0,1037.369,1,2,0,0.0034324,0.8505281,30.867,8.853,12.773,3.747,4.709,-5.014,-4.026,-2.143,236.979,-0.854,132.716,-2.839,0,0,1,0.6,3,100,0,0,50.879,2,0,0,9,0,9,9,20,0.00393579123315071,0.02,[0:0.04],1,0.343,0.749,19.68,[10.12:38.63],1,0.237,0.508,-4.91,[-5.27:-4.55],1,0.226,0.491,-10.82,[-10.96:-10.65],1,0.277,0.646,1.82,[1.57:2.07],1,0.454,0.679,0.86,[0.38:1.34],0,0.215,0.482,1,1,0.476706820041899,0.583844912833476,0.44,[0.04:0.85],1,0.352,0.541,3.09,[2.2:3.98],1,0.436,0.408,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,75.0605,0.613,1.609420652,0.919710667,3.55642312137129,1.931218512,0.932527188
O=C(O)CCCC[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2C(C)(C)C,"hydrindane,Custom_47,Custom_9",7683,"hydrindane,Custom_47,Custom_9",1,1,0.217,0.5,1,1,0.411,0.519,1,1,0.272,0.532,0,1,0.478,0.67,1,1,0.433,0.62,1,1,0.414,0.605,0,1,4,5,6988,[3900:12000],1,0.47,0.726,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,544.925,450.095,94.83,0,0,996.157,1,2,0,0.0036702,0.8852104,29.86,8.496,12.556,3.787,4.542,-4.485,-4.026,-1.582,316.394,-0.605,181.382,-2.691,0,0,1,0.533,3,100,0,0,47.984,2,0,0,9,0,9,9,20,0.0187019514112547,0.03,[0.02:0.04],1,0.324,0.74,30.18,[10.5:77.79],1,0.228,0.44,-4.81,[-5.14:-4.48],1,0.222,0.503,-10.82,[-10.96:-10.64],0,0.26,0.639,1.83,[1.58:2.08],1,0.535,0.704,1.06,[0.52:1.6],0,0.209,0.42,1,1,0.464684927699388,0.57783396666222,0.45,[0.04:0.86],1,0.349,0.54,2.85,[2.06:3.64],1,0.43,0.446,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,75.0541,0.573,1.609420652,0.919710667,3.84435289631089,1.931218512,0.932527188
O=C(O)CCCC[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2CCCCC,"hydrindane,Custom_47,Custom_10",7684,"hydrindane,Custom_47,Custom_10",0,1,0.313,0.645,1,1,0.434,0.564,1,1,0.35,0.589,0,1,0.543,0.608,0,1,0.531,0.626,1,1,0.433,0.52,0,1,3,5,3668,[2100:6500],1,0.427,0.455,2,0.42857143,1,0,0,1,0,9,0,-1,294.476,0,620.407,522.309,98.098,0,0,1103.965,1,2,0,0.0032237,0.8326423,32.248,9.382,12.885,3.329,5.203,-5.382,-4.316,-2.433,294.605,-0.922,167.919,-2.463,0,0,1,0.7,3,88.648,0,0,47.724,2,1,0,9,0,9,9,21,0.00420291114878158,0.02,[0:0.04],1,0.373,0.761,30.21,[10.5:77.71],1,0.228,0.441,-4.93,[-5.29:-4.57],1,0.214,0.487,-10.82,[-10.96:-10.65],1,0.278,0.646,1.82,[1.56:2.08],1,0.354,0.643,1.08,[0.56:1.6],0,0.211,0.431,1,1,0.45490352398479,0.572943264804922,0.16,[-0.24:0.56],1,0.334,0.538,3.53,[2.33:4.73],1,0.42,0.333,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,9,2,1,1,37.3,75.0126,0.652,1.609420652,0.919710667,3.56442932699798,1.931218512,0.932527188
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O=C(O)CCCC[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2C[C@H](C)CC,"hydrindane,Custom_47,Custom_12",7686,"hydrindane,Custom_47,Custom_12",0,1,0.311,0.644,1,1,0.433,0.564,1,1,0.344,0.585,1,1,0.575,0.6,0,1,0.448,0.62,1,1,0.434,0.524,0,1,3,5,4400,[2500:7800],1,0.445,0.46,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,609.25,501.186,108.064,0,0,1089.387,1,2,0,0.0032827,0.8404092,32.306,9.324,13.192,3.59,5.042,-5.339,-4.316,-2.307,236.99,-0.939,132.723,-2.743,0,0,1,0.702,3,86.011,0,0,50.878,2,1,0,9,0,9,9,21,0.00243545860633099,0.03,[0.01:0.04],1,0.358,0.756,30.24,[10.5:77.78],1,0.226,0.44,-4.92,[-5.28:-4.56],1,0.216,0.487,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.387,0.655,0.86,[0.38:1.34],0,0.212,0.48,1,1,0.467208999761858,0.579096002693455,0.44,[0.04:0.85],1,0.33,0.535,3.44,[2.24:4.64],1,0.43,0.336,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,78.1383,0.613,1.609420652,0.919710667,3.64345267648619,1.931218512,0.932527188
O=C(O)CCCC[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2CCC(C)C,"hydrindane,Custom_47,Custom_13",7687,"hydrindane,Custom_47,Custom_13",0,1,0.274,0.593,1,1,0.433,0.564,1,1,0.349,0.59,1,1,0.538,0.583,0,1,0.441,0.617,1,1,0.436,0.515,0,1,3,5,4401,[2500:7800],1,0.451,0.461,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,602.087,507.316,94.771,0,0,1086.637,1,2,0,0.0033218,0.8489758,32.196,9.221,13.032,3.483,5.118,-5.208,-4.316,-2.168,316.802,-0.795,181.635,-2.498,0,0,1,0.696,3,88.711,0,0,47.983,2,1,0,9,0,9,9,21,0.00579971772619907,0.06,[0.01:0.13],1,0.326,0.675,30.25,[10.5:77.77],1,0.226,0.44,-4.92,[-5.28:-4.56],1,0.215,0.487,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.452,0.68,1.08,[0.56:1.6],0,0.212,0.432,1,1,0.470776476502413,0.580879741063733,0.16,[-0.24:0.56],1,0.337,0.539,3.44,[2.24:4.64],1,0.427,0.334,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,79.0987,0.613,1.609420652,0.919710667,3.64355136856294,1.931218512,0.932527188
O=C(O)CCCC[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2[C@@H](C)C(C)C,"hydrindane,Custom_47,Custom_14",7688,"hydrindane,Custom_47,Custom_14",0,1,0.59,0.757,1,1,0.353,0.523,1,1,0.342,0.582,1,1,0.569,0.556,0,1,0.529,0.619,1,1,0.421,0.562,0,1,3,5,3634,[2000:6500],1,0.425,0.462,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,585.109,477.045,108.064,0,0,1057.664,1,2,0,0.0034182,0.8580115,31.679,9.065,13.175,3.753,4.841,-5.058,-4.316,-2.022,236.99,-0.837,132.723,-2.839,0,0,1,0.658,3,100,0,0,50.878,2,0,0,9,0,9,9,21,0.00372993466481649,0.06,[0.01:0.13],1,0.342,0.681,16.28,[3:36.19],1,0.223,0.461,-4.92,[-5.28:-4.56],1,0.216,0.487,-10.82,[-10.96:-10.64],0,0.257,0.638,1.82,[1.57:2.07],1,0.439,0.675,1.06,[0.52:1.6],0,0.21,0.42,1,1,0.461977954446399,0.576480480035726,0.44,[0.04:0.85],1,0.316,0.53,3.36,[2.17:4.55],1,0.43,0.34,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,78.7304,0.574,1.609420652,0.919710667,3.56038492297202,1.931218512,0.932527188
O=C(O)CCCC[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2CC(C)(C)C,"hydrindane,Custom_47,Custom_15",7689,"hydrindane,Custom_47,Custom_15",0,1,0.497,0.749,1,1,0.364,0.496,1,1,0.261,0.526,1,1,0.571,0.613,0,1,0.808,0.814,1,1,0.569,0.618,0,1,3,5,3573,[2000:6400],1,0.608,0.741,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,585.777,477.62,108.157,0,0,1061.282,1,2,0,0.0034143,0.8589868,31.824,9.102,13.244,3.755,4.864,-5.071,-4.316,-2.006,236.508,-0.836,132.431,-2.841,0,0,1,0.669,3,100,0,0,50.947,2,0,0,9,0,9,9,21,0.00361173485448037,0.06,[0.01:0.13],1,0.312,0.664,16.28,[3:36.19],1,0.221,0.46,-4.93,[-5.29:-4.57],1,0.215,0.486,-10.82,[-10.96:-10.64],0,0.248,0.635,1.95,[1.77:2.13],1,0.495,0.717,0.86,[0.38:1.34],0,0.213,0.481,1,1,0.463379853449028,0.57718142953704,0.44,[0.04:0.85],1,0.338,0.537,3.28,[2.18:4.38],1,0.418,0.35,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,79.8087,0.573,1.609420652,0.919710667,3.55303301620244,1.931218512,0.932527188
O=C(O)CCCC[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2C(C)(C)CC,"hydrindane,Custom_47,Custom_16",7690,"hydrindane,Custom_47,Custom_16",1,1,0.262,0.438,1,1,0.404,0.516,1,1,0.262,0.527,0,1,0.779,0.798,1,1,0.439,0.612,1,1,0.418,0.57,0,1,3,5,3573,[2000:6400],1,0.511,0.734,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,563.988,469.217,94.771,0,0,1036.894,1,2,0,0.0035462,0.8784527,30.848,8.845,12.851,3.612,4.803,-4.671,-4.316,-1.691,316.802,-0.677,181.635,-2.594,0,0,1,0.604,3,100,0,0,47.983,2,0,0,9,0,9,9,21,0.016001080752954,0.06,[0.01:0.13],1,0.331,0.674,16.18,[3:36.09],1,0.218,0.459,-4.92,[-5.28:-4.56],1,0.212,0.486,-10.82,[-10.96:-10.64],0,0.248,0.635,1.82,[1.57:2.07],1,0.463,0.684,1.06,[0.52:1.6],0,0.207,0.419,1,1,0.453273615796212,0.532923864536709,0.45,[0.04:0.86],1,0.308,0.527,3.37,[2.18:4.56],1,0.425,0.34,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,79.9025,0.573,1.609420652,0.919710667,3.55303301620244,1.931218512,0.932527188
O=C(O)CCCC[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2CCCCCC,"hydrindane,Custom_47,Custom_17",7691,"hydrindane,Custom_47,Custom_17",0,1,0.303,0.641,1,1,0.429,0.561,1,1,0.341,0.587,0,1,0.542,0.611,0,1,0.57,0.626,1,1,0.434,0.524,0,1,3,5,4111,[2300:7300],1,0.401,0.501,2,0.40909091,1,0,0,1,0,10,0,-2,308.503,0,655.537,549.517,106.02,0,0,1166.363,1,2,0,0.0030509,0.8174418,34.103,10.025,13.519,3.247,5.548,-5.868,-4.606,-2.678,247.807,-1.097,139.282,-2.513,0,0,1,0.831,3,89.321,0,0,50.049,2,1,1,9,0,9,9,22,0.00128266287382577,0.03,[0.01:0.04],1,0.371,0.761,16.38,[3:36.22],1,0.218,0.46,-4.94,[-5.3:-4.58],1,0.203,0.483,-10.82,[-10.96:-10.65],0,0.266,0.642,1.82,[1.56:2.08],1,0.322,0.632,1.09,[0.57:1.61],0,0.21,0.43,1,1,0.446994708450876,0.568988857037964,0.09,[-0.33:0.51],1,0.308,0.534,4.11,[3.03:5],1,0.408,0.356,308.271530392001,58,22,20,2,0,0,2,0,0.95,10,2,1,1,37.3,77.9242,0.652,1.609420652,0.919710667,3.61394747678035,1.931218512,0.932527188
O=C(O)CCCC[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2[C@@H](C)CCCC,"hydrindane,Custom_47,Custom_18",7692,"hydrindane,Custom_47,Custom_18",0,1,0.295,0.638,1,1,0.429,0.56,1,1,0.378,0.636,1,1,0.883,0.712,1,1,0.57,0.646,1,1,0.432,0.565,0,1,4,5,5291,[3000:9400],1,0.351,0.441,2,0.40909091,1,0,0,1,0,9,0,-2,308.503,0,632.298,523.927,108.371,0,0,1138.814,1,2,0,0.0031631,0.8340876,33.642,9.785,13.617,3.427,5.357,-5.601,-4.606,-2.409,235.404,-1.017,131.763,-2.653,0,0,1,0.798,3,87.803,0,0,50.856,2,1,0,9,0,9,9,22,0.00171844967700865,0.03,[0.01:0.04],1,0.352,0.754,16.24,[3:36.09],1,0.216,0.459,-4.94,[-5.3:-4.58],1,0.206,0.484,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.357,0.645,1.08,[0.56:1.6],0,0.206,0.429,1,1,0.453636159565691,0.572309582595372,0.33,[-0.22:0.88],1,0.301,0.492,4.1,[2.97:5],1,0.416,0.355,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,80.6363,0.613,1.609420652,0.919710667,3.72353776153206,1.931218512,0.932527188
O=C(O)CCCC[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2C[C@H](C)CCC,"hydrindane,Custom_47,Custom_19",7693,"hydrindane,Custom_47,Custom_19",0,1,0.264,0.586,1,1,0.429,0.56,1,1,0.334,0.583,1,1,0.882,0.732,0,1,0.567,0.642,1,1,0.422,0.524,0,1,4,5,5292,[3000:9400],1,0.415,0.46,2,0.40909091,1,0,0,1,0,9,0,-2,308.503,0,638.051,529.68,108.371,0,0,1145.198,1,2,0,0.0031345,0.8296534,33.898,9.842,13.662,3.441,5.397,-5.708,-4.606,-2.481,235.404,-1.029,131.763,-2.653,0,0,1,0.815,3,88.04,0,0,50.856,2,1,1,9,0,9,9,22,0.00134575711133378,0.06,[0.01:0.12],1,0.345,0.684,16.29,[3:36.14],1,0.216,0.459,-4.94,[-5.3:-4.58],1,0.206,0.483,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.372,0.651,1.06,[0.52:1.6],0,0.208,0.419,1,1,0.457415149485548,0.5741990775553,0.32,[-0.23:0.87],1,0.307,0.494,4.04,[2.93:5],1,0.414,0.35,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,82.5901,0.613,1.609420652,0.919710667,3.72361983551546,1.931218512,0.932527188
O=C(O)CCCC[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2CC[C@@H](C)CC,"hydrindane,Custom_47,Custom_20",7694,"hydrindane,Custom_47,Custom_20",0,1,0.3,0.64,1,1,0.429,0.56,1,1,0.34,0.588,1,1,0.536,0.582,0,1,0.524,0.606,1,1,0.434,0.515,0,1,4,5,5292,[3000:9400],1,0.359,0.443,2,0.40909091,1,0,0,1,0,9,0,-1,308.503,0,630.255,534.711,95.544,0,0,1138.658,1,2,0,0.0031733,0.8367153,33.636,9.696,13.437,3.335,5.445,-5.564,-4.606,-2.367,311.501,-0.889,178.352,-2.416,0,0,1,0.798,3,90.497,0,0,47.9,2,1,0,9,0,9,9,22,0.00323032523710887,0.06,[0.01:0.12],1,0.339,0.681,16.29,[3:36.14],1,0.216,0.459,-4.93,[-5.29:-4.57],1,0.204,0.483,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.38,0.654,1.08,[0.56:1.6],0,0.208,0.43,1,1,0.461789725524796,0.576386365574924,0.32,[-0.23:0.87],1,0.306,0.494,4.05,[2.95:5],1,0.415,0.351,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,82.1765,0.613,1.609420652,0.919710667,3.72361983551546,1.931218512,0.932527188
O=C(O)CCCC[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2CCCC(C)C,"hydrindane,Custom_47,Custom_21",7695,"hydrindane,Custom_47,Custom_21",0,1,0.568,0.736,1,1,0.429,0.56,1,1,0.339,0.587,1,1,0.586,0.589,0,1,0.567,0.629,1,1,0.507,0.587,0,1,4,5,5292,[3000:9400],1,0.376,0.445,2,0.40909091,1,0,0,1,0,9,0,-2,308.503,0,645.248,536.876,108.371,0,0,1156.339,1,2,0,0.0030996,0.8257123,34.344,9.946,13.786,3.458,5.468,-5.84,-4.606,-2.545,235.404,-1.039,131.763,-2.653,0,0,1,0.846,3,88.456,0,0,50.856,2,1,1,9,0,9,9,22,0.000991026915617766,0.06,[0.01:0.13],1,0.329,0.676,16.32,[3:36.17],1,0.217,0.46,-4.93,[-5.29:-4.57],1,0.204,0.483,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.397,0.66,1.08,[0.56:1.6],0,0.207,0.43,1,1,0.4632479149235,0.577115460274276,0.09,[-0.33:0.51],1,0.312,0.535,4.05,[2.95:5],1,0.413,0.35,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,82.0103,0.613,1.609420652,0.919710667,3.72361983551546,1.931218512,0.932527188
O=C(O)CCCC[C@@H](CC1)C[C@H]([C@@H]12)CC[C@H]2[C@@H](C)[C@H](C)CC,"hydrindane,Custom_47,Custom_22",7696,"hydrindane,Custom_47,Custom_22",0,1,0.571,0.746,1,1,0.348,0.52,1,1,0.334,0.582,1,1,0.828,0.69,1,1,0.532,0.613,1,1,0.42,0.6,0,1,3,5,4449,[2500:7900],1,0.411,0.443,2,0.40909091,1,0,0,1,0,8,0,-1,308.503,0,606.683,498.312,108.371,0,0,1104.847,1,2,0,0.0032966,0.8519315,32.925,9.493,13.575,3.586,5.141,-5.292,-4.606,-2.12,235.404,-0.914,131.763,-2.749,0,0,1,0.748,3,86.54,0,0,50.856,2,1,0,9,0,9,9,22,0.00280788078556074,0.06,[0.01:0.12],1,0.352,0.686,15.99,[3:34.83],1,0.213,0.468,-4.93,[-5.29:-4.57],1,0.207,0.484,-10.82,[-10.96:-10.64],0,0.245,0.633,1.82,[1.57:2.07],1,0.37,0.65,1.06,[0.52:1.6],0,0.207,0.419,1,1,0.450647318816189,0.570815162220621,0.42,[0.03:0.85],1,0.285,0.525,3.61,[2.41:4.81],1,0.42,0.337,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,81.8082,0.574,1.609420652,0.919710667,3.64826240574804,1.931218512,0.932527188
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O=C(O)[C@@H](C)[C@@H]1CCC[C@H]([C@@H]12)C[C@H](C2)C(C)(C)C,"hydrindane,,Custom_9",7933,"hydrindane,,Custom_9",1,1,0.266,0.494,1,1,0.428,0.521,1,1,0.279,0.545,1,1,0.815,0.786,0,1,0.424,0.63,1,1,0.394,0.613,0,1,4,5,5196,[2900:9200],1,0.451,0.576,2,0.5,0,0,0,1,0,3,0,-1,252.396,0,481.848,391.332,90.516,0,0,875.049,1,2,0,0.0041507,0.9182126,26.939,7.526,11.719,4.267,3.856,-3.855,-3.45,-1.048,347.644,-0.333,200.821,-2.9,0,0,1,0.33,3,95.002,0,0,46.807,2,0,0,9,0,9,9,18,0.0474761445913163,0.03,[0.01:0.05],1,0.359,0.738,19.47,[10.12:38.86],1,0.242,0.507,-4.62,[-4.89:-4.35],1,0.268,0.563,-10.82,[-10.97:-10.65],1,0.288,0.661,1.82,[1.56:2.08],1,0.552,0.703,0.81,[0.3:1.34],0,0.239,0.463,1,1,0.471350352494014,0.581166679059533,0.74,[0.09:1.39],1,0.364,0.455,3.33,[2.77:3.89],1,0.465,0.569,252.208930136,46,18,16,2,0,0,2,0,0.9375,3,2,1,1,37.3,69.584,0.534,1.65465485,0.920814116,3.71566914240099,1.974165103,0.935447087
O=C(O)[C@@H](C)[C@@H]1CCC[C@H]([C@@H]12)C[C@H](C2)CCCCC,"hydrindane,,Custom_10",7934,"hydrindane,,Custom_10",0,1,0.33,0.575,1,1,0.405,0.551,1,1,0.348,0.568,0,1,0.453,0.627,0,1,0.443,0.632,1,1,0.412,0.506,0,1,3,5,3893,[2200:6900],1,0.623,0.741,2,0.47368421,1,0,0,1,0,6,0,-1,266.423,0,543.615,453.813,89.801,0,0,968.632,1,2,0,0.0036791,0.8709227,28.758,8.141,11.897,3.749,4.398,-4.461,-3.738,-1.813,353.113,-0.587,204.238,-2.598,0,0,1,0.454,3,100,0,0,46.469,2,0,0,9,0,9,9,19,0.0232398435072714,0.03,[0.02:0.04],1,0.363,0.752,19.36,[10.12:38.59],1,0.247,0.51,-4.63,[-4.91:-4.35],1,0.248,0.551,-10.82,[-10.97:-10.65],1,0.299,0.665,1.81,[1.55:2.07],1,0.417,0.664,0.81,[0.3:1.34],0,0.238,0.462,1,1,0.476624476064968,0.58380374084501,0.44,[0.04:0.86],1,0.386,0.551,2.97,[2.12:3.82],1,0.435,0.451,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,6,2,1,1,37.3,69.5425,0.613,1.624709484,0.918686155,3.59028440371816,1.949404529,0.934024125
O=C(O)[C@@H](C)[C@@H]1CCC[C@H]([C@@H]12)C[C@H](C2)[C@H](C)CCC,"hydrindane,,Custom_11",7935,"hydrindane,,Custom_11",0,1,0.356,0.595,1,1,0.364,0.531,1,1,0.339,0.563,1,1,0.49,0.618,1,1,0.439,0.614,1,1,0.415,0.602,0,1,3,5,3449,[1900:6100],1,0.512,0.611,2,0.47368421,1,0,0,1,0,5,0,-1,266.423,0,521.916,431.815,90.101,0,0,944.849,1,2,0,0.003832,0.892221,28.448,8.019,12.018,3.92,4.247,-4.228,-3.738,-1.468,350.81,-0.492,202.798,-2.7,0,0,1,0.434,3,100,0,0,46.25,2,0,0,9,0,9,9,19,0.0314627040067137,0.03,[0.02:0.04],1,0.369,0.75,19.37,[10.12:38.58],1,0.243,0.509,-4.62,[-4.9:-4.34],1,0.251,0.553,-10.82,[-10.97:-10.65],1,0.288,0.66,1.82,[1.56:2.08],1,0.482,0.679,0.81,[0.3:1.34],0,0.238,0.462,1,1,0.473962744380066,0.58247287500256,0.44,[0.04:0.86],1,0.365,0.544,3.22,[2.51:3.93],1,0.449,0.522,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,5,2,1,1,37.3,72.2546,0.574,1.624709484,0.918686155,3.53769319436739,1.949404529,0.934024125
O=C(O)[C@@H](C)[C@@H]1CCC[C@H]([C@@H]12)C[C@H](C2)C[C@@H](C)CC,"hydrindane,,Custom_12",7936,"hydrindane,,Custom_12",0,1,0.326,0.613,1,1,0.404,0.551,1,1,0.342,0.567,1,1,0.489,0.61,0,1,0.444,0.629,1,1,0.413,0.507,0,1,3,5,3450,[1900:6100],1,0.452,0.602,2,0.47368421,1,0,0,1,0,5,0,-1,266.423,0,515.723,425.207,90.516,0,0,939.06,1,2,0,0.0038781,0.8992441,28.217,8.006,12,3.908,4.209,-4.115,-3.738,-1.355,347.644,-0.484,200.821,-2.708,0,0,1,0.419,3,100,0,0,46.807,2,0,0,9,0,9,9,19,0.0400783076005203,0.03,[0.02:0.04],1,0.365,0.749,19.39,[10.12:38.61],1,0.244,0.509,-4.62,[-4.9:-4.34],1,0.252,0.554,-10.82,[-10.97:-10.65],1,0.288,0.66,1.81,[1.54:2.08],1,0.464,0.673,0.81,[0.3:1.34],0,0.241,0.464,1,1,0.480006293458302,0.585494649541677,0.43,[0.04:0.85],1,0.374,0.546,3.23,[2.52:3.94],1,0.444,0.52,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,5,2,1,1,37.3,72.6682,0.574,1.624709484,0.918686155,3.53781909507327,1.949404529,0.934024125
O=C(O)[C@@H](C)[C@@H]1CCC[C@H]([C@@H]12)C[C@H](C2)CCC(C)C,"hydrindane,,Custom_13",7937,"hydrindane,,Custom_13",0,1,0.293,0.632,1,1,0.444,0.571,1,1,0.346,0.569,0,1,0.529,0.646,0,1,0.44,0.631,1,1,0.407,0.523,0,1,3,5,3450,[1900:6100],1,0.445,0.606,2,0.47368421,1,0,0,1,0,5,0,-1,266.423,0,530.281,439.765,90.516,0,0,954.048,1,2,0,0.0037716,0.8838378,28.817,8.066,12.088,3.943,4.302,-4.38,-3.738,-1.604,347.644,-0.51,200.821,-2.708,0,0,1,0.458,3,100,0,0,46.807,2,0,0,9,0,9,9,19,0.0217608912524634,0.02,[0.01:0.03],1,0.347,0.741,19.4,[10.12:38.62],1,0.245,0.509,-4.63,[-4.91:-4.35],1,0.254,0.554,-10.82,[-10.97:-10.65],1,0.288,0.66,1.82,[1.56:2.08],1,0.573,0.713,0.81,[0.3:1.34],0,0.241,0.463,1,1,0.485030783292133,0.588006894458593,0.44,[0.04:0.86],1,0.384,0.55,3.24,[2.53:3.95],1,0.439,0.518,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,5,2,1,1,37.3,73.6286,0.574,1.624709484,0.918686155,3.53781909507327,1.949404529,0.934024125
O=C(O)[C@@H](C)[C@@H]1CCC[C@H]([C@@H]12)C[C@H](C2)[C@H](C)C(C)C,"hydrindane,,Custom_14",7938,"hydrindane,,Custom_14",0,1,0.339,0.583,1,1,0.363,0.53,1,1,0.345,0.56,1,1,0.826,0.759,1,1,0.438,0.615,1,1,0.413,0.603,0,1,4,5,5665,[3200:10000],1,0.438,0.568,2,0.47368421,0,0,0,1,0,4,0,-1,266.423,0,502.429,411.913,90.516,0,0,921.097,1,2,0,0.0039807,0.9112279,28.14,7.909,12.105,4.096,4.096,-4.036,-3.738,-1.161,347.644,-0.404,200.821,-2.804,0,0,1,0.414,3,96.411,0,0,46.807,2,0,0,9,0,9,9,19,0.0385263487564148,0.03,[0.01:0.05],1,0.368,0.743,19.43,[10.12:38.64],1,0.239,0.507,-4.62,[-4.9:-4.34],1,0.253,0.555,-10.82,[-10.96:-10.65],1,0.285,0.649,1.82,[1.56:2.08],1,0.54,0.701,0.81,[0.3:1.34],0,0.24,0.463,1,1,0.471260834584174,0.581121920104613,0.71,[0.07:1.35],1,0.35,0.46,3.04,[2.47:3.61],1,0.451,0.558,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,4,2,1,1,37.3,73.2603,0.535,1.624709484,0.918686155,3.75319991419942,1.949404529,0.934024125
O=C(O)[C@@H](C)[C@@H]1CCC[C@H]([C@@H]12)C[C@H](C2)CC(C)(C)C,"hydrindane,,Custom_15",7939,"hydrindane,,Custom_15",0,1,0.251,0.575,1,1,0.419,0.517,1,1,0.278,0.557,1,1,0.573,0.638,0,1,0.434,0.633,1,1,0.406,0.615,0,1,3,5,3108,[1700:5500],1,0.432,0.569,2,0.47368421,0,0,0,1,0,4,0,-1,266.423,0,495.693,405.177,90.516,0,0,916.849,1,2,0,0.0040348,0.9207697,27.97,7.929,12.123,4.08,4.071,-3.914,-3.738,-1.007,347.644,-0.389,200.821,-2.804,0,0,1,0.404,3,96.263,0,0,46.807,2,0,0,9,0,9,9,19,0.0510512375260887,0.03,[0.01:0.05],1,0.337,0.73,19.51,[10.12:38.71],1,0.236,0.506,-4.79,[-5.13:-4.45],1,0.26,0.517,-10.82,[-10.96:-10.65],1,0.272,0.644,1.83,[1.58:2.08],1,0.623,0.734,0.81,[0.3:1.34],0,0.243,0.464,1,1,0.47259849714967,0.581790751387361,0.43,[0.04:0.85],1,0.376,0.546,3.27,[2.56:3.98],1,0.436,0.517,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,4,2,1,1,37.3,74.3386,0.534,1.624709484,0.918686155,3.49248101012888,1.949404529,0.934024125
O=C(O)[C@@H](C)[C@@H]1CCC[C@H]([C@@H]12)C[C@H](C2)C(C)(C)CC,"hydrindane,,Custom_16",7940,"hydrindane,,Custom_16",1,1,0.285,0.449,1,1,0.419,0.517,1,1,0.275,0.555,1,1,0.825,0.809,1,1,0.428,0.61,1,1,0.404,0.581,0,1,3,5,3108,[1700:5500],1,0.432,0.572,2,0.47368421,0,0,0,1,0,4,0,-1,266.423,0,500.403,409.887,90.516,0,0,915.947,1,2,0,0.0039968,0.9115036,27.934,7.863,12.026,4.091,4.063,-3.999,-3.738,-1.156,347.644,-0.404,200.821,-2.804,0,0,1,0.4,3,96.219,0,0,46.807,2,0,0,9,0,9,9,19,0.0419312035616862,0.03,[0.01:0.05],1,0.362,0.739,19.49,[10.12:38.67],1,0.233,0.506,-4.62,[-4.9:-4.34],1,0.249,0.554,-10.82,[-10.96:-10.65],1,0.272,0.644,1.83,[1.58:2.08],1,0.593,0.722,1.08,[0.44:1.72],0,0.236,0.394,1,1,0.458972789393487,0.535773451335347,0.73,[0.08:1.38],1,0.339,0.455,3.04,[2.47:3.61],1,0.45,0.558,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,4,2,1,1,37.3,74.4324,0.534,1.624709484,0.918686155,3.49248101012888,1.949404529,0.934024125
O=C(O)[C@@H](C)[C@@H]1CCC[C@H]([C@@H]12)C[C@H](C2)CCCCCC,"hydrindane,,Custom_17",7941,"hydrindane,,Custom_17",0,1,0.322,0.65,1,1,0.439,0.567,1,1,0.287,0.548,1,1,0.533,0.618,0,1,0.447,0.632,1,1,0.419,0.512,0,1,3,5,3563,[2000:6300],1,0.507,0.483,2,0.45,1,0,0,1,0,7,0,-1,280.45,0,568.942,482.964,85.978,0,0,1019.417,1,2,0,0.0035153,0.8609905,30.148,8.558,12.247,3.564,4.748,-4.762,-4.026,-1.974,383.858,-0.632,223.525,-2.432,0,0,1,0.552,3,100,0,0,44.739,2,0,0,9,0,9,9,20,0.0179562157798725,0.02,[0:0.04],1,0.368,0.758,19.46,[10.12:38.51],1,0.238,0.508,-4.74,[-5.13:-4.35],1,0.233,0.479,-10.82,[-10.96:-10.65],1,0.283,0.648,1.81,[1.55:2.07],1,0.395,0.657,1.33,[0.79:1.87],0,0.237,0.42,1,1,0.467667432592706,0.579325219108879,0.43,[0.04:0.84],1,0.373,0.548,2.87,[2.07:3.67],1,0.442,0.443,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,72.4541,0.613,1.609420652,0.919710667,3.55181582235102,1.931218512,0.932527188
O=C(O)[C@@H](C)[C@@H]1CCC[C@H]([C@@H]12)C[C@H](C2)[C@H](C)CCCC,"hydrindane,,Custom_18",7942,"hydrindane,,Custom_18",0,1,0.309,0.605,1,1,0.398,0.547,1,1,0.323,0.552,1,1,0.492,0.618,1,1,0.442,0.618,1,1,0.421,0.565,0,1,4,5,6394,[3600:11000],1,0.43,0.697,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,553.051,463.895,89.156,0,0,1002.219,1,2,0,0.0036163,0.8757399,30.102,8.473,12.463,3.768,4.619,-4.633,-4.026,-1.735,358.127,-0.573,207.374,-2.587,0,0,1,0.549,3,100,0,0,46.225,2,0,0,9,0,9,9,20,0.0168997833937467,0.03,[0.02:0.04],1,0.363,0.752,19.47,[10.12:38.5],1,0.233,0.507,-4.74,[-5.13:-4.35],1,0.237,0.48,-10.82,[-10.96:-10.65],1,0.273,0.644,1.81,[1.56:2.06],1,0.453,0.678,1.08,[0.44:1.72],0,0.232,0.393,1,1,0.464917942842404,0.577950474233729,0.44,[0.04:0.85],1,0.355,0.542,2.64,[2.13:3.15],1,0.438,0.538,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,75.1662,0.574,1.609420652,0.919710667,3.80577263193567,1.931218512,0.932527188
O=C(O)[C@@H](C)[C@@H]1CCC[C@H]([C@@H]12)C[C@H](C2)C[C@H](C)CCC,"hydrindane,,Custom_19",7943,"hydrindane,,Custom_19",0,1,0.282,0.628,1,1,0.438,0.567,1,1,0.321,0.551,1,1,0.493,0.595,0,1,0.446,0.627,1,1,0.42,0.63,0,1,4,5,6394,[3600:11000],1,0.432,0.694,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,543.483,452.966,90.516,0,0,998.433,1,2,0,0.00368,0.8889121,29.951,8.504,12.559,3.754,4.587,-4.458,-4.026,-1.522,347.644,-0.562,200.821,-2.612,0,0,1,0.54,3,100,0,0,46.807,2,0,0,9,0,9,9,20,0.023864816927268,0.03,[0.02:0.04],1,0.356,0.749,19.48,[10.12:38.53],1,0.235,0.507,-4.74,[-5.13:-4.35],1,0.24,0.481,-10.82,[-10.96:-10.65],1,0.273,0.644,1.82,[1.56:2.08],1,0.484,0.682,0.81,[0.3:1.34],0,0.236,0.462,1,1,0.469176521863985,0.580079763744519,0.44,[0.04:0.85],1,0.366,0.546,2.94,[2:3.91],1,0.436,0.409,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,77.12,0.574,1.609420652,0.919710667,3.80577263193567,1.931218512,0.932527188
O=C(O)[C@@H](C)[C@@H]1CCC[C@H]([C@@H]12)C[C@H](C2)CC[C@H](C)CC,"hydrindane,,Custom_20",7944,"hydrindane,,Custom_20",0,1,0.317,0.607,1,1,0.398,0.547,1,1,0.283,0.551,1,1,0.491,0.62,0,1,0.44,0.622,1,1,0.408,0.506,0,1,4,5,6393,[3600:11000],1,0.433,0.696,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,555.813,465.297,90.516,0,0,1004.607,1,2,0,0.0035983,0.8727716,30.198,8.493,12.492,3.784,4.624,-4.684,-4.026,-1.783,347.644,-0.59,200.821,-2.612,0,0,1,0.555,3,100,0,0,46.807,2,0,0,9,0,9,9,20,0.0141991258012876,0.03,[0.02:0.04],1,0.349,0.744,19.51,[10.12:38.56],1,0.235,0.507,-4.74,[-5.13:-4.35],1,0.235,0.481,-10.82,[-10.96:-10.65],1,0.273,0.644,1.82,[1.56:2.08],1,0.503,0.689,0.81,[0.3:1.34],0,0.235,0.462,1,1,0.475106975378417,0.583044990501735,0.44,[0.04:0.85],1,0.368,0.547,2.83,[2.06:3.6],1,0.439,0.455,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,76.7064,0.574,1.609420652,0.919710667,3.80570470443386,1.931218512,0.932527188
O=C(O)[C@@H](C)[C@@H]1CCC[C@H]([C@@H]12)C[C@H](C2)CCCC(C)C,"hydrindane,,Custom_21",7945,"hydrindane,,Custom_21",0,1,0.288,0.63,1,1,0.438,0.567,1,1,0.283,0.549,1,1,0.534,0.596,0,1,0.445,0.632,1,1,0.425,0.551,0,1,4,5,6393,[3600:11000],1,0.443,0.699,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,561.688,471.172,90.516,0,0,1012.4,1,2,0,0.0035607,0.8681026,30.51,8.548,12.566,3.798,4.673,-4.792,-4.026,-1.859,347.644,-0.599,200.821,-2.612,0,0,1,0.576,3,100,0,0,46.807,2,0,0,9,0,9,9,20,0.0110835470225216,0.03,[0.02:0.04],1,0.339,0.741,19.51,[10.12:38.56],1,0.235,0.507,-4.81,[-5.15:-4.47],1,0.237,0.508,-10.82,[-10.96:-10.65],1,0.273,0.644,1.83,[1.58:2.08],1,0.542,0.705,1.33,[0.79:1.87],0,0.233,0.419,1,1,0.477298532808676,0.584140769216864,0.44,[0.04:0.85],1,0.378,0.55,2.83,[2.05:3.61],1,0.437,0.452,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,76.5402,0.574,1.609420652,0.919710667,3.80570470443386,1.931218512,0.932527188
O=C(O)[C@@H](C)[C@@H]1CCC[C@H]([C@@H]12)C[C@H](C2)[C@H](C)[C@H](C)CC,"hydrindane,,Custom_22",7946,"hydrindane,,Custom_22",0,1,0.615,0.762,1,1,0.397,0.546,1,1,0.322,0.547,1,1,0.526,0.61,1,1,0.441,0.617,1,1,0.414,0.604,0,1,3,5,3412,[1900:6100],1,0.436,0.592,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,527.602,437.085,90.516,0,0,971.5,1,2,0,0.0037907,0.8991269,29.515,8.305,12.512,3.936,4.417,-4.331,-4.026,-1.357,347.644,-0.484,200.821,-2.708,0,0,1,0.509,3,100,0,0,46.807,2,0,0,9,0,9,9,20,0.0256342788991952,0.03,[0.02:0.04],1,0.368,0.75,19.52,[10.12:38.56],1,0.23,0.505,-4.73,[-5.12:-4.34],1,0.237,0.481,-10.82,[-10.96:-10.65],1,0.269,0.642,1.81,[1.56:2.06],1,0.472,0.685,0.81,[0.3:1.34],0,0.235,0.462,1,1,0.460551214009546,0.536562663643377,0.71,[0.07:1.35],1,0.326,0.453,2.72,[2.11:3.33],1,0.441,0.521,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,76.3381,0.535,1.609420652,0.919710667,3.53300902249549,1.931218512,0.932527188
O=C(O)[C@@H](C)[C@@H]1CCC[C@H]([C@@H]12)C[C@H](C2)C[C@H](C)C(C)C,"hydrindane,,Custom_23",7947,"hydrindane,,Custom_23",0,1,0.312,0.606,1,1,0.397,0.546,1,1,0.288,0.55,1,1,0.526,0.649,1,1,0.441,0.617,1,1,0.408,0.507,0,1,3,5,3413,[1900:6100],1,0.444,0.605,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,539.286,448.77,90.516,0,0,987.459,1,2,0,0.0037086,0.8892522,30.154,8.404,12.668,3.964,4.517,-4.545,-4.026,-1.517,347.644,-0.501,200.821,-2.708,0,0,1,0.552,3,100,0,0,46.807,2,0,0,9,0,9,9,20,0.0156892176407403,0.03,[0.02:0.04],1,0.351,0.744,19.55,[10.12:38.6],1,0.231,0.506,-4.62,[-4.9:-4.34],1,0.239,0.549,-10.82,[-10.96:-10.65],1,0.269,0.642,1.83,[1.58:2.08],1,0.549,0.707,0.81,[0.3:1.34],0,0.238,0.463,1,1,0.472504621939421,0.581743813782237,0.43,[0.04:0.84],1,0.354,0.541,2.71,[2.09:3.33],1,0.436,0.515,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,78.1257,0.535,1.609420652,0.919710667,3.53313628827864,1.931218512,0.932527188
O=C(O)[C@@H](C)[C@@H]1CCC[C@H]([C@@H]12)C[C@H](C2)C(C)(C)CCC,"hydrindane,,Custom_24",7948,"hydrindane,,Custom_24",1,1,0.308,0.497,1,1,0.411,0.513,1,1,0.272,0.539,1,1,0.532,0.716,0,1,0.439,0.671,1,1,0.406,0.638,0,1,3,5,3420,[1900:6100],1,0.436,0.592,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,531.946,441.43,90.516,0,0,974.316,1,2,0,0.0037598,0.8935053,29.628,8.303,12.502,3.947,4.434,-4.411,-4.026,-1.448,347.644,-0.494,200.821,-2.708,0,0,1,0.516,3,100,0,0,46.807,2,0,0,9,0,9,9,20,0.021358918919109,0.03,[0.02:0.04],1,0.358,0.747,19.56,[10.09:38.59],1,0.224,0.505,-4.74,[-5.13:-4.35],1,0.237,0.48,-10.82,[-10.96:-10.64],0,0.258,0.638,1.83,[1.58:2.08],1,0.542,0.705,1.08,[0.44:1.72],0,0.232,0.393,1,1,0.449699293847479,0.531136703562343,0.72,[0.08:1.36],1,0.328,0.453,2.74,[2.12:3.36],1,0.434,0.519,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,77.7576,0.534,1.609420652,0.919710667,3.53402610605613,1.931218512,0.932527188
O=C(O)[C@@H](C)[C@@H]1CCC[C@H]([C@@H]12)C[C@H](C2)CC(C)(C)CC,"hydrindane,,Custom_25",7949,"hydrindane,,Custom_25",1,1,0.259,0.533,1,1,0.411,0.513,1,1,0.235,0.514,1,1,0.527,0.686,1,1,0.445,0.622,1,1,0.427,0.553,0,1,3,5,3421,[1900:6100],1,0.436,0.593,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,522.143,431.644,90.498,0,0,962.346,1,2,0,0.0038304,0.9028104,29.149,8.24,12.401,3.923,4.359,-4.232,-4.026,-1.297,347.781,-0.478,200.906,-2.707,0,0,1,0.485,3,100,0,0,46.807,2,0,0,9,0,9,9,20,0.0322578295642799,0.06,[0.01:0.13],1,0.337,0.669,19.62,[10.12:38.66],1,0.226,0.504,-4.8,[-5.14:-4.46],1,0.241,0.509,-10.82,[-10.96:-10.64],0,0.258,0.638,1.84,[1.6:2.08],1,0.619,0.738,0.81,[0.3:1.34],0,0.239,0.463,1,1,0.464415920419734,0.53849501684847,0.43,[0.04:0.84],1,0.353,0.54,2.72,[2.09:3.35],1,0.43,0.513,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,79.187,0.534,1.609420652,0.919710667,3.53415307418506,1.931218512,0.932527188
O=C(O)[C@@H](C)[C@@H]1CCC[C@H]([C@@H]12)C[C@H](C2)CCC(C)(C)C,"hydrindane,,Custom_26",7950,"hydrindane,,Custom_26",0,1,0.176,0.523,1,1,0.371,0.493,1,1,0.238,0.515,1,1,0.529,0.648,0,1,0.435,0.632,1,1,0.444,0.621,0,1,3,5,3422,[1900:6100],1,0.42,0.587,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,546.822,456.305,90.516,0,0,997.242,1,2,0,0.0036575,0.8827814,30.545,8.465,12.758,3.982,4.579,-4.682,-4.026,-1.621,347.644,-0.512,200.821,-2.708,0,0,1,0.578,3,100,0,0,46.807,2,0,0,9,0,9,9,20,0.0114266591523401,0.06,[0.01:0.13],1,0.32,0.657,19.65,[10.12:38.69],1,0.227,0.504,-4.8,[-5.13:-4.47],1,0.241,0.51,-10.82,[-10.96:-10.64],0,0.258,0.638,1.84,[1.61:2.07],1,0.633,0.744,0.81,[0.3:1.34],0,0.238,0.462,1,1,0.471947179018175,0.581465092321614,0.44,[0.04:0.85],1,0.379,0.55,2.72,[2.09:3.35],1,0.422,0.506,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,78.9012,0.534,1.609420652,0.919710667,3.53428000520508,1.931218512,0.932527188
O=C(O)CCC[C@@H]1CCC[C@H]([C@@H]12)C[C@@H](C)C2,"hydrindane,Custom_43,Custom_1",7951,"hydrindane,Custom_43,Custom_1",0,1,0.361,0.573,1,1,0.425,0.564,1,1,0.406,0.615,0,1,0.489,0.727,0,1,0.459,0.684,0,1,0.387,0.647,0,1,4,5,5202,[2900:9300],1,0.489,0.602,2,0.5625,0,0,0,1,0,4,0,-1,224.342,0,471.686,363.529,108.156,0,0,823.168,1,2,0,0.0042401,0.9005436,24.221,7.038,10.765,4.142,3.347,-3.479,-2.879,-1.334,236.512,-0.567,132.433,-3.129,0,0,1,0.141,3,89.029,0,0,50.947,2,0,0,9,0,9,9,16,0.0552898384677573,0.02,[0.01:0.03],1,0.351,0.756,7,[0.01:51.92],1,0.267,0.334,-4.67,[-4.9:-4.44],1,0.262,0.579,-10.88,[-11.02:-10.74],1,0.387,0.719,1.87,[1.53:2.21],1,0.39,0.619,0.71,[0.3:1.12],0,0.238,0.519,1,1,0.489605690957658,0.551089902117432,-0.31,[-0.64:0.02],1,0.314,0.581,2.65,[2.17:3.21],1,0.527,0.571,224.177630008,40,16,14,2,0,0,2,0,0.928571428571429,4,2,1,1,37.3,58.7482,0.652,1.574918909,0.917826007,3.71617034785985,1.926491984,0.924638525
O=C(O)CCC[C@@H]1CCC[C@H]([C@@H]12)C[C@H](C2)CC,"hydrindane,Custom_43,Custom_3",7952,"hydrindane,Custom_43,Custom_3",0,1,0.342,0.568,1,1,0.419,0.56,1,1,0.402,0.636,0,1,0.451,0.72,0,1,0.467,0.639,0,1,0.423,0.586,0,1,4,5,6284,[3500:11000],1,0.417,0.678,2,0.52941176,1,0,0,1,0,5,0,-1,238.369,0,496.282,388.126,108.156,0,0,874.019,1,2,0,0.00403,0.8908065,25.614,7.467,11.191,3.981,3.669,-3.762,-3.164,-1.491,236.512,-0.647,132.433,-3.033,0,0,1,0.237,3,90.917,0,0,50.947,2,0,0,9,0,9,9,17,0.0382551052520546,0.03,[0.02:0.04],1,0.352,0.762,6.17,[0.01:27.97],1,0.258,0.386,-4.79,[-5.12:-4.46],1,0.252,0.52,-10.79,[-10.96:-10.62],1,0.355,0.682,1.89,[1.54:2.24],1,0.399,0.62,0.71,[0.3:1.13],0,0.227,0.514,1,1,0.488941985545436,0.550758049411322,0.11,[-0.21:0.43],1,0.34,0.568,3.31,[2.52:4.1],1,0.469,0.491,238.193280072,43,17,15,2,0,0,2,0,0.933333333333333,5,2,1,1,37.3,61.826,0.652,1.568343624,0.914081282,3.79823617636794,1.928734681,0.924826502
O=C(O)CCC[C@@H]1CCC[C@H]([C@@H]12)C[C@H](C2)CCC,"hydrindane,Custom_43,Custom_4",7953,"hydrindane,Custom_43,Custom_4",0,1,0.29,0.595,1,1,0.412,0.556,1,1,0.352,0.605,0,1,0.453,0.639,0,1,0.444,0.66,1,1,0.39,0.528,0,1,3,5,3523,[2000:6300],1,0.68,0.832,2,0.5,1,0,0,1,0,6,0,-1,252.396,0,527.866,419.709,108.156,0,0,932.418,1,2,0,0.0037888,0.8744107,27.309,7.94,11.666,3.836,4.04,-4.173,-3.45,-1.757,236.512,-0.741,132.433,-2.937,0,0,1,0.353,3,93.085,0,0,50.947,2,0,0,9,0,9,9,18,0.0195854372671742,0.02,[0.01:0.03],1,0.348,0.746,19.58,[10.12:38.97],1,0.254,0.511,-4.8,[-5.13:-4.47],1,0.244,0.512,-10.82,[-10.97:-10.65],1,0.329,0.678,1.81,[1.54:2.08],1,0.421,0.657,0.88,[0.42:1.34],0,0.224,0.493,1,1,0.480764462797651,0.585873734211352,0.12,[-0.2:0.44],1,0.346,0.566,3.63,[3.05:4.14],1,0.42,0.529,252.208930136,46,18,16,2,0,0,2,0,0.9375,6,2,1,1,37.3,66.2778,0.652,1.65465485,0.920814116,3.54691264318124,1.974165103,0.935447087
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O=C(O)CCC[C@@H]1CCC[C@H]([C@@H]12)C[C@H](C2)[C@H](C)CCCC,"hydrindane,Custom_43,Custom_18",7967,"hydrindane,Custom_43,Custom_18",0,1,0.305,0.642,1,1,0.433,0.564,1,1,0.348,0.589,1,1,0.58,0.561,0,1,0.485,0.62,1,1,0.417,0.561,0,1,3,5,4393,[2500:7800],1,0.438,0.459,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,603.536,495.364,108.172,0,0,1086.267,1,2,0,0.0033138,0.8467456,32.182,9.307,13.219,3.577,5.022,-5.234,-4.316,-2.204,236.43,-0.924,132.384,-2.745,0,0,1,0.695,3,85.877,0,0,50.857,2,1,0,9,0,9,9,21,0.00308859184153891,0.03,[0.02:0.04],1,0.353,0.757,30.25,[10.5:77.87],1,0.225,0.439,-4.93,[-5.29:-4.57],1,0.216,0.486,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.398,0.659,1.08,[0.56:1.6],0,0.21,0.431,1,1,0.464704664505867,0.57784383506546,0.44,[0.04:0.85],1,0.325,0.532,3.43,[2.23:4.63],1,0.428,0.337,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,77.7247,0.613,1.609420652,0.919710667,3.64276120326532,1.931218512,0.932527188
O=C(O)CCC[C@@H]1CCC[C@H]([C@@H]12)C[C@H](C2)C[C@H](C)CCC,"hydrindane,Custom_43,Custom_19",7968,"hydrindane,Custom_43,Custom_19",0,1,0.312,0.644,1,1,0.433,0.564,1,1,0.342,0.598,1,1,0.88,0.732,1,1,0.487,0.639,1,1,0.407,0.576,0,1,3,5,4394,[2500:7800],1,0.494,0.473,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,597.908,489.735,108.172,0,0,1080.571,1,2,0,0.003345,0.8517255,31.954,9.264,13.187,3.564,4.986,-5.131,-4.316,-2.124,236.43,-0.913,132.384,-2.745,0,0,1,0.679,3,100,0,0,50.857,2,0,0,9,0,9,9,21,0.00392013076199903,0.03,[0.02:0.04],1,0.345,0.754,30.24,[10.5:77.79],1,0.226,0.44,-4.93,[-5.29:-4.57],1,0.216,0.486,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.419,0.667,0.86,[0.38:1.34],0,0.212,0.48,1,1,0.468636285581536,0.579809645603294,0.31,[-0.23:0.85],1,0.329,0.502,3.43,[2.23:4.63],1,0.428,0.336,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,79.6785,0.613,1.609420652,0.919710667,3.64286005258449,1.931218512,0.932527188
O=C(O)CCC[C@@H]1CCC[C@H]([C@@H]12)C[C@H](C2)CC[C@H](C)CC,"hydrindane,Custom_43,Custom_20",7969,"hydrindane,Custom_43,Custom_20",0,1,0.309,0.644,1,1,0.433,0.564,1,1,0.347,0.615,1,1,0.535,0.581,0,1,0.444,0.638,1,1,0.42,0.556,0,1,3,5,4394,[2500:7800],1,0.439,0.459,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,600.765,492.609,108.156,0,0,1084.72,1,2,0,0.0033291,0.8498432,32.12,9.299,13.23,3.571,5.013,-5.183,-4.316,-2.154,236.512,-0.917,132.433,-2.745,0,0,1,0.691,3,85.825,0,0,50.946,2,1,0,9,0,9,9,21,0.00347563779343591,0.03,[0.02:0.04],1,0.337,0.752,30.32,[10.5:77.9],1,0.225,0.44,-4.93,[-5.29:-4.57],1,0.215,0.486,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.43,0.671,1.08,[0.56:1.6],0,0.212,0.432,1,1,0.472984220843596,0.581983613234325,0.31,[-0.23:0.85],1,0.329,0.502,3.43,[2.23:4.63],1,0.429,0.336,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,79.2649,0.613,1.609420652,0.919710667,3.64286005258449,1.931218512,0.932527188
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O=C(O)CCC[C@@H]1CCC[C@H]([C@@H]12)C[C@H](C2)C(C)(C)CCC,"hydrindane,Custom_43,Custom_24",7973,"hydrindane,Custom_43,Custom_24",1,1,0.295,0.539,1,1,0.444,0.53,1,1,0.264,0.528,1,1,0.442,0.681,1,1,0.477,0.644,1,1,0.407,0.626,0,1,3,5,3576,[2000:6400],1,0.493,0.716,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,576.211,468.039,108.172,0,0,1049.626,1,2,0,0.0034709,0.8668412,31.357,9.016,13.147,3.732,4.79,-4.895,-4.316,-1.879,236.43,-0.818,132.384,-2.841,0,0,1,0.637,3,100,0,0,50.857,2,0,0,9,0,9,9,21,0.0054081298561437,0.06,[0.01:0.13],1,0.338,0.676,16.16,[3:36.08],1,0.217,0.459,-4.93,[-5.29:-4.57],1,0.214,0.485,-10.82,[-10.96:-10.64],0,0.249,0.635,1.82,[1.57:2.07],1,0.452,0.68,1.06,[0.52:1.6],0,0.209,0.419,1,1,0.450948140297572,0.531761126787389,0.44,[0.04:0.85],1,0.308,0.526,3.27,[2.18:4.36],1,0.419,0.355,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,80.3161,0.573,1.609420652,0.919710667,3.55339751012388,1.931218512,0.932527188
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O=C(O)CC(C)(C)[C@@H]1CCC[C@H]([C@@H]12)C[C@H](C2)C[C@H](C)C(C)C,"hydrindane,Custom_51,Custom_23",8172,"hydrindane,Custom_51,Custom_23",1,1,0.207,0.495,1,1,0.398,0.507,1,1,0.262,0.525,1,1,0.533,0.742,0,1,0.471,0.685,1,1,0.408,0.636,0,1,4,5,5265,[3000:9400],1,0.497,0.625,2,0.40909091,1,0,0,1,0,6,0,-1,308.503,0,561.732,475.171,86.56,0,0,1055.656,1,2,0,0.0035604,0.8925878,32.241,9.013,13.441,3.771,4.983,-4.792,-4.606,-1.463,379.008,-0.522,220.474,-2.539,0,0,1,0.701,3,100,0,0,44.721,2,0,0,9,0,9,9,22,0.0143944892327824,0.12,[0.01:0.26],1,0.336,0.562,13.73,[3.15:26.58],1,0.202,0.485,-4.93,[-5.3:-4.56],1,0.208,0.482,-10.82,[-10.96:-10.64],0,0.229,0.627,1.95,[1.76:2.14],1,0.458,0.704,1.06,[0.52:1.6],0,0.218,0.423,1,1,0.41448776362228,0.552735384623667,0.73,[0.09:1.37],1,0.28,0.439,3.42,[2.22:4.62],1,0.388,0.329,308.271530392001,58,22,20,2,0,0,2,0,0.95,6,2,1,1,37.3,87.7156,0.495,1.609420652,0.919710667,3.72139837552151,1.931218512,0.932527188
O=C(O)CC(C)(C)[C@@H]1CCC[C@H]([C@@H]12)C[C@H](C2)C(C)(C)CCC,"hydrindane,Custom_51,Custom_24",8173,"hydrindane,Custom_51,Custom_24",1,0,0.185,0.474,1,1,0.384,0.478,1,1,0.27,0.457,1,1,0.492,0.731,0,1,0.469,0.684,1,1,0.733,0.859,0,1,4,5,5179,[2900:9200],1,0.58,0.673,2,0.40909091,1,0,0,1,0,6,0,-1,308.503,0,551.043,469.504,81.539,0,0,1039.254,1,2,0,0.0036295,0.9004518,31.584,8.864,13.177,3.711,4.914,-4.597,-4.606,-1.335,422.924,-0.469,248.211,-2.446,0,0,1,0.657,3,100,0,0,44.69,2,0,0,9,0,9,9,22,0.0279497555553736,0.12,[0.01:0.26],1,0.346,0.565,13.71,[3.15:26.56],0,0.198,0.484,-4.94,[-5.3:-4.57],1,0.205,0.481,-10.82,[-10.96:-10.64],0,0.225,0.626,1.95,[1.76:2.14],1,0.448,0.7,1.33,[0.79:1.87],0,0.215,0.413,0,1,0.403219850201252,0.50789698173923,0.95,[0.06:1.84],0,0.258,0.359,3.43,[2.23:4.63],1,0.371,0.324,308.271530392001,58,22,20,2,0,0,2,0,0.95,6,2,1,1,37.3,87.3475,0.494,1.609420652,0.919710667,3.71424591101789,1.931218512,0.932527188
O=C(O)CC(C)(C)[C@@H]1CCC[C@H]([C@@H]12)C[C@H](C2)CC(C)(C)CC,"hydrindane,Custom_51,Custom_25",8174,"hydrindane,Custom_51,Custom_25",1,0,0.151,0.451,1,1,0.464,0.518,1,1,0.31,0.476,1,1,0.534,0.737,0,1,0.43,0.655,1,1,0.738,0.859,0,1,4,5,5178,[2900:9200],1,0.57,0.688,2,0.40909091,1,0,0,1,0,6,0,-1,308.503,0,532.771,463.913,68.858,0,0,1024.683,1,2,0,0.003754,0.9226089,31.001,8.755,12.951,3.581,4.912,-4.263,-4.606,-0.977,557.853,-0.337,334.816,-2.212,0,0,1,0.62,3,100,0,0,44.69,2,0,0,9,0,9,9,22,0.103255755427864,0.12,[0.01:0.26],1,0.332,0.558,13.71,[3.15:26.57],0,0.199,0.483,-4.94,[-5.3:-4.57],1,0.206,0.481,-10.82,[-10.96:-10.64],0,0.225,0.626,1.95,[1.76:2.14],1,0.437,0.695,1.06,[0.52:1.6],0,0.22,0.424,1,1,0.41502306551961,0.553003035572331,0.73,[0.09:1.37],1,0.281,0.439,3.43,[2.23:4.63],1,0.38,0.327,308.271530392001,58,22,20,2,0,0,2,0,0.95,6,2,1,1,37.3,88.7769,0.494,1.609420652,0.919710667,3.71416204609885,1.931218512,0.932527188
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CC[C@@](C)(C(=O)O)[C@@H]1CCC[C@H]([C@@H]12)C[C@H](C2)C[C@H](C)CCC,"hydrindane,Custom_54,Custom_19",8243,"hydrindane,Custom_54,Custom_19",1,1,0.26,0.443,1,1,0.438,0.528,1,1,0.256,0.522,1,1,0.454,0.677,0,1,0.434,0.67,1,1,0.413,0.677,0,1,4,5,6024,[3400:11000],1,0.434,0.688,2,0.40909091,2,0,0,1,0,7,0,-1,308.503,0,540.046,521.749,18.297,0,0,1044.791,1,2,0,0.0037034,0.9220483,31.164,8.572,12.166,3.034,5.391,-4.233,-4.606,-0.986,1682.641,-0.002,1104.226,-1.185,0,0,0,0.633,3,100,0,0,26.832,2,1,0,9,0,9,9,22,1.17965395554759,0.06,[0:0.14],1,0.353,0.67,26.28,[10.5:68.68],1,0.207,0.467,-4.95,[-5.3:-4.59],1,0.208,0.485,-10.76,[-10.96:-10.55],0,0.248,0.624,1.82,[1.57:2.07],1,0.464,0.685,1.34,[0.8:1.88],0,0.241,0.422,0,1,0.409227223211638,0.510900668244422,0.72,[0.09:1.35],1,0.288,0.443,3.45,[2.25:4.65],1,0.377,0.325,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,87.0091,0.534,1.609420652,0.919710667,3.77988496319264,1.931218512,0.932527188
CC[C@@](C)(C(=O)O)[C@@H]1CCC[C@H]([C@@H]12)C[C@H](C2)CC[C@H](C)CC,"hydrindane,Custom_54,Custom_20",8244,"hydrindane,Custom_54,Custom_20",1,1,0.279,0.445,1,1,0.398,0.508,1,1,0.258,0.523,1,1,0.529,0.682,0,1,0.433,0.674,1,1,0.406,0.596,0,1,4,5,6024,[3400:11000],1,0.443,0.692,2,0.40909091,2,0,0,1,0,7,0,-1,308.503,0,568.129,528.257,39.872,0,0,1060.31,1,2,0,0.0035203,0.8851293,31.785,8.697,12.397,3.248,5.335,-4.747,-4.606,-1.583,1050.497,-0.198,663.61,-1.582,0,0,0,0.671,3,100,0,0,28.648,2,1,0,9,0,9,9,22,0.144629584366055,0.06,[0:0.14],1,0.347,0.668,26.25,[10.5:68.61],1,0.208,0.467,-4.95,[-5.3:-4.59],1,0.204,0.484,-10.76,[-10.96:-10.55],0,0.248,0.624,1.83,[1.57:2.09],1,0.474,0.681,1.34,[0.8:1.88],0,0.24,0.422,0,1,0.416121934895649,0.514348024086428,0.72,[0.09:1.35],1,0.289,0.443,3.46,[2.26:4.66],1,0.38,0.326,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,86.5955,0.534,1.609420652,0.919710667,3.77988496319264,1.931218512,0.932527188
CC[C@@](C)(C(=O)O)[C@@H]1CCC[C@H]([C@@H]12)C[C@H](C2)CCCC(C)C,"hydrindane,Custom_54,Custom_21",8245,"hydrindane,Custom_54,Custom_21",1,1,0.257,0.444,1,1,0.358,0.488,1,1,0.258,0.523,1,1,0.566,0.713,0,1,0.437,0.67,1,1,0.419,0.636,0,1,4,5,6024,[3400:11000],1,0.527,0.707,2,0.40909091,2,0,0,1,0,7,0,-1,308.503,0,574.207,540.244,33.962,0,0,1068.423,1,2,0,0.0034831,0.8802217,32.11,8.711,12.378,3.223,5.427,-4.858,-4.606,-1.663,1195.183,-0.151,762.931,-1.473,0,0,0,0.693,3,100,0,0,28.648,2,1,0,9,0,9,9,22,0.143785689509374,0.12,[0.01:0.25],1,0.34,0.577,26.27,[10.5:68.6],1,0.207,0.467,-4.95,[-5.3:-4.59],1,0.207,0.485,-10.76,[-10.96:-10.55],0,0.248,0.624,1.83,[1.58:2.08],1,0.491,0.688,1.34,[0.8:1.88],0,0.238,0.422,0,1,0.418206419947027,0.515390266612117,0.72,[0.09:1.35],1,0.3,0.448,3.46,[2.26:4.66],1,0.383,0.327,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,86.4293,0.534,1.609420652,0.919710667,3.77988496319264,1.931218512,0.932527188
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CC[C@@](C)(C(=O)O)[C@@H]1CCC[C@H]([C@@H]12)C[C@H](C2)C(C)(C)CCC,"hydrindane,Custom_54,Custom_24",8248,"hydrindane,Custom_54,Custom_24",1,1,0.142,0.51,1,1,0.344,0.458,1,1,0.268,0.457,1,1,0.49,0.72,0,1,0.439,0.72,1,1,0.403,0.702,0,1,4,5,6342,[3600:11000],1,0.544,0.733,2,0.40909091,2,0,0,1,0,6,0,-1,308.503,0,549.953,512.981,36.972,0,0,1032.519,1,2,0,0.0036367,0.8983344,31.315,8.48,12.321,3.405,5.178,-4.577,-4.606,-1.37,1119.163,-0.104,710.617,-1.625,0,0,0,0.637,3,100,0,0,28.648,2,1,0,9,0,9,9,22,0.193950568867149,0.11,[0:0.25],1,0.359,0.577,16.68,[3.15:61.76],1,0.201,0.413,-4.79,[-5.22:-4.36],1,0.209,0.46,-10.76,[-10.96:-10.55],0,0.236,0.62,1.83,[1.58:2.08],1,0.489,0.687,1.34,[0.8:1.88],0,0.238,0.421,0,1,0.406414968279668,0.54869898695236,0.96,[0.07:1.85],0,0.256,0.358,2.69,[2.17:3.21],1,0.353,0.511,308.271530392001,58,22,20,2,0,0,2,0,0.95,6,2,1,1,37.3,87.6467,0.494,1.609420652,0.919710667,3.80222623769107,1.931218512,0.932527188
CC[C@@](C)(C(=O)O)[C@@H]1CCC[C@H]([C@@H]12)C[C@H](C2)CC(C)(C)CC,"hydrindane,Custom_54,Custom_25",8249,"hydrindane,Custom_54,Custom_25",1,1,0.189,0.505,1,1,0.344,0.458,1,1,0.306,0.474,1,1,0.541,0.746,0,1,0.439,0.715,1,1,0.423,0.643,0,1,4,5,5409,[3000:9600],1,0.507,0.59,2,0.40909091,2,0,0,1,0,6,0,0,308.503,0,516.626,494.761,21.865,0,0,1010.651,1,2,0,0.0038713,0.9427353,30.44,8.418,12.143,3.222,5.151,-3.969,-4.606,-0.651,1556.521,0.038,1015.043,-1.346,0,0,0,0.584,3,100,0,0,26.518,2,1,0,9,0,9,9,22,1.49353639575626,0.12,[0.01:0.26],1,0.346,0.568,16.62,[3.15:61.58],1,0.202,0.413,-4.93,[-5.3:-4.56],1,0.21,0.482,-10.76,[-10.96:-10.55],0,0.236,0.62,1.83,[1.58:2.08],1,0.497,0.691,1.33,[0.79:1.87],0,0.244,0.423,0,1,0.419355556636172,0.555169281130612,0.72,[0.08:1.36],0,0.277,0.438,2.68,[2.15:3.21],1,0.361,0.511,308.271530392001,58,22,20,2,0,0,2,0,0.95,6,2,1,1,37.3,89.0761,0.494,1.609420652,0.919710667,3.73311698144206,1.931218512,0.932527188
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C1CC[C@@H]([C@H](C)C(=O)O)[C@H]([C@@H]12)CC[C@H]2CC(C)C,"hydrindane,,Custom_8",8307,"hydrindane,,Custom_8",0,1,0.289,0.63,1,1,0.451,0.575,1,1,0.377,0.622,0,1,0.448,0.652,0,1,0.438,0.626,1,1,0.405,0.535,0,1,4,5,5655,[3200:10000],1,0.459,0.573,2,0.5,0,0,0,1,0,4,0,-1,252.396,0,496.943,406.425,90.517,0,0,891.799,1,2,0,0.0040246,0.9016471,26.967,7.577,11.558,4.083,3.907,-3.937,-3.45,-1.316,347.636,-0.42,200.816,-2.804,0,0,1,0.331,3,95.303,0,0,46.807,2,0,0,9,0,9,9,18,0.0459010809298674,0.02,[0.01:0.03],1,0.361,0.746,19.4,[10.12:38.87],1,0.252,0.51,-4.62,[-4.9:-4.34],1,0.271,0.562,-10.82,[-10.97:-10.65],1,0.308,0.669,1.81,[1.54:2.08],1,0.496,0.682,0.81,[0.3:1.34],0,0.246,0.465,1,1,0.489300568917496,0.590141787271274,0.39,[-0.04:0.84],1,0.368,0.532,3.49,[3:3.98],1,0.465,0.556,252.208930136,46,18,16,2,0,0,2,0,0.9375,4,2,1,1,37.3,69.5904,0.574,1.65465485,0.920814116,3.75243260926147,1.974165103,0.935447087
C1CC[C@@H]([C@H](C)C(=O)O)[C@H]([C@@H]12)CC[C@H]2C(C)(C)C,"hydrindane,,Custom_9",8308,"hydrindane,,Custom_9",1,1,0.266,0.494,1,1,0.428,0.521,1,1,0.279,0.545,1,1,0.815,0.786,0,1,0.424,0.63,1,1,0.394,0.613,0,1,4,5,5196,[2900:9200],1,0.451,0.576,2,0.5,0,0,0,1,0,3,0,-1,252.396,0,466.248,375.731,90.517,0,0,859.484,1,2,0,0.0042896,0.9376482,26.316,7.52,11.635,4.23,3.761,-3.559,-3.45,-0.733,347.636,-0.304,200.816,-2.9,0,0,1,0.291,3,94.45,0,0,46.807,2,0,0,9,0,9,9,18,0.0908230061965874,0.03,[0.01:0.05],1,0.359,0.738,19.47,[10.12:38.86],1,0.242,0.507,-4.62,[-4.89:-4.35],1,0.268,0.563,-10.82,[-10.97:-10.65],1,0.288,0.661,1.82,[1.56:2.08],1,0.552,0.703,0.81,[0.3:1.34],0,0.239,0.463,1,1,0.471350352494014,0.581166679059533,0.74,[0.09:1.39],1,0.364,0.455,3.33,[2.77:3.89],1,0.465,0.569,252.208930136,46,18,16,2,0,0,2,0,0.9375,3,2,1,1,37.3,69.584,0.534,1.65465485,0.920814116,3.71566914240099,1.974165103,0.935447087
C1CC[C@@H]([C@H](C)C(=O)O)[C@H]([C@@H]12)CC[C@H]2CCCCC,"hydrindane,,Custom_10",8309,"hydrindane,,Custom_10",0,1,0.33,0.575,1,1,0.405,0.551,1,1,0.348,0.568,0,1,0.453,0.627,0,1,0.443,0.632,1,1,0.412,0.506,0,1,3,5,3893,[2200:6900],1,0.623,0.741,2,0.47368421,1,0,0,1,0,6,0,-1,266.423,0,540.743,450.226,90.517,0,0,966.634,1,2,0,0.0036986,0.8743434,28.678,8.142,11.912,3.747,4.381,-4.408,-3.738,-1.758,347.636,-0.587,200.816,-2.612,0,0,1,0.449,3,100,0,0,46.807,2,0,0,9,0,9,9,19,0.0254391096909955,0.03,[0.02:0.04],1,0.363,0.752,19.36,[10.12:38.59],1,0.247,0.51,-4.63,[-4.91:-4.35],1,0.248,0.551,-10.82,[-10.97:-10.65],1,0.299,0.665,1.81,[1.55:2.07],1,0.417,0.664,0.81,[0.3:1.34],0,0.238,0.462,1,1,0.476624476064968,0.58380374084501,0.44,[0.04:0.86],1,0.386,0.551,2.97,[2.12:3.82],1,0.435,0.451,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,6,2,1,1,37.3,69.5425,0.613,1.624709484,0.918686155,3.59028440371816,1.949404529,0.934024125
C1CC[C@@H]([C@H](C)C(=O)O)[C@H]([C@@H]12)CC[C@H]2[C@@H](C)CCC,"hydrindane,,Custom_11",8310,"hydrindane,,Custom_11",0,1,0.356,0.595,1,1,0.364,0.531,1,1,0.339,0.563,1,1,0.49,0.618,1,1,0.439,0.614,1,1,0.415,0.602,0,1,3,5,3449,[1900:6100],1,0.512,0.611,2,0.47368421,1,0,0,1,0,5,0,-1,266.423,0,513.88,423.362,90.517,0,0,934.03,1,2,0,0.003892,0.8992443,28.015,7.959,11.921,3.903,4.177,-4.081,-3.738,-1.355,347.636,-0.484,200.816,-2.708,0,0,1,0.405,3,96.882,0,0,46.807,2,0,0,9,0,9,9,19,0.0432941346595389,0.03,[0.02:0.04],1,0.369,0.75,19.37,[10.12:38.58],1,0.243,0.509,-4.62,[-4.9:-4.34],1,0.251,0.553,-10.82,[-10.97:-10.65],1,0.288,0.66,1.82,[1.56:2.08],1,0.482,0.679,0.81,[0.3:1.34],0,0.238,0.462,1,1,0.473962744380066,0.58247287500256,0.44,[0.04:0.86],1,0.365,0.544,3.22,[2.51:3.93],1,0.449,0.522,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,5,2,1,1,37.3,72.2546,0.574,1.624709484,0.918686155,3.53769319436739,1.949404529,0.934024125
C1CC[C@@H]([C@H](C)C(=O)O)[C@H]([C@@H]12)CC[C@H]2C[C@H](C)CC,"hydrindane,,Custom_12",8311,"hydrindane,,Custom_12",0,1,0.326,0.613,1,1,0.404,0.551,1,1,0.342,0.567,1,1,0.489,0.61,0,1,0.444,0.629,1,1,0.413,0.507,0,1,3,5,3450,[1900:6100],1,0.452,0.602,2,0.47368421,1,0,0,1,0,5,0,-1,266.423,0,519.564,429.047,90.517,0,0,940.377,1,2,0,0.0038494,0.8934299,28.269,7.987,11.966,3.917,4.216,-4.185,-3.738,-1.449,347.636,-0.494,200.816,-2.708,0,0,1,0.422,3,100,0,0,46.807,2,0,0,9,0,9,9,19,0.0341165327710118,0.03,[0.02:0.04],1,0.365,0.749,19.39,[10.12:38.61],1,0.244,0.509,-4.62,[-4.9:-4.34],1,0.252,0.554,-10.82,[-10.97:-10.65],1,0.288,0.66,1.81,[1.54:2.08],1,0.464,0.673,0.81,[0.3:1.34],0,0.241,0.464,1,1,0.480006293458302,0.585494649541677,0.43,[0.04:0.85],1,0.374,0.546,3.23,[2.52:3.94],1,0.444,0.52,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,5,2,1,1,37.3,72.6682,0.574,1.624709484,0.918686155,3.53781909507327,1.949404529,0.934024125
C1CC[C@@H]([C@H](C)C(=O)O)[C@H]([C@@H]12)CC[C@H]2CCC(C)C,"hydrindane,,Custom_13",8312,"hydrindane,,Custom_13",0,1,0.293,0.632,1,1,0.444,0.571,1,1,0.346,0.569,0,1,0.529,0.646,0,1,0.44,0.631,1,1,0.407,0.523,0,1,3,5,3450,[1900:6100],1,0.445,0.606,2,0.47368421,1,0,0,1,0,5,0,-1,266.423,0,524.219,434.116,90.103,0,0,948.572,1,2,0,0.0038152,0.8906331,28.597,8.046,12.062,3.925,4.271,-4.27,-3.738,-1.494,350.796,-0.495,202.789,-2.7,0,0,1,0.444,3,100,0,0,46.251,2,0,0,9,0,9,9,19,0.0285628544384749,0.02,[0.01:0.03],1,0.347,0.741,19.4,[10.12:38.62],1,0.245,0.509,-4.63,[-4.91:-4.35],1,0.254,0.554,-10.82,[-10.97:-10.65],1,0.288,0.66,1.82,[1.56:2.08],1,0.573,0.713,0.81,[0.3:1.34],0,0.241,0.463,1,1,0.485030783292133,0.588006894458593,0.44,[0.04:0.86],1,0.384,0.55,3.24,[2.53:3.95],1,0.439,0.518,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,5,2,1,1,37.3,73.6286,0.574,1.624709484,0.918686155,3.53781909507327,1.949404529,0.934024125
C1CC[C@@H]([C@H](C)C(=O)O)[C@H]([C@@H]12)CC[C@H]2[C@@H](C)C(C)C,"hydrindane,,Custom_14",8313,"hydrindane,,Custom_14",0,1,0.339,0.583,1,1,0.363,0.53,1,1,0.345,0.56,1,1,0.826,0.759,1,1,0.438,0.615,1,1,0.413,0.603,0,1,4,5,5665,[3200:10000],1,0.438,0.568,2,0.47368421,0,0,0,1,0,4,0,-1,266.423,0,498.192,407.675,90.517,0,0,910.805,1,2,0,0.0040145,0.91212,27.728,7.819,11.951,4.086,4.031,-3.959,-3.738,-1.146,347.636,-0.403,200.816,-2.804,0,0,1,0.385,3,96.027,0,0,46.807,2,0,0,9,0,9,9,19,0.045988499460312,0.03,[0.01:0.05],1,0.368,0.743,19.43,[10.12:38.64],1,0.239,0.507,-4.62,[-4.9:-4.34],1,0.253,0.555,-10.82,[-10.96:-10.65],1,0.285,0.649,1.82,[1.56:2.08],1,0.54,0.701,0.81,[0.3:1.34],0,0.24,0.463,1,1,0.471260834584174,0.581121920104613,0.71,[0.07:1.35],1,0.35,0.46,3.04,[2.47:3.61],1,0.451,0.558,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,4,2,1,1,37.3,73.2603,0.535,1.624709484,0.918686155,3.75319991419942,1.949404529,0.934024125
C1CC[C@@H]([C@H](C)C(=O)O)[C@H]([C@@H]12)CC[C@H]2CC(C)(C)C,"hydrindane,,Custom_15",8314,"hydrindane,,Custom_15",0,1,0.251,0.575,1,1,0.419,0.517,1,1,0.278,0.557,1,1,0.573,0.638,0,1,0.434,0.633,1,1,0.406,0.615,0,1,3,5,3108,[1700:5500],1,0.432,0.569,2,0.47368421,0,0,0,1,0,4,0,-1,266.423,0,498.615,408.097,90.517,0,0,914.27,1,2,0,0.0040111,0.9136564,27.867,7.861,12.019,4.087,4.053,-3.967,-3.738,-1.122,347.636,-0.4,200.816,-2.804,0,0,1,0.395,3,96.158,0,0,46.807,2,0,0,9,0,9,9,19,0.0451834104045998,0.03,[0.01:0.05],1,0.337,0.73,19.51,[10.12:38.71],1,0.236,0.506,-4.79,[-5.13:-4.45],1,0.26,0.517,-10.82,[-10.96:-10.65],1,0.272,0.644,1.83,[1.58:2.08],1,0.623,0.734,0.81,[0.3:1.34],0,0.243,0.464,1,1,0.47259849714967,0.581790751387361,0.43,[0.04:0.85],1,0.376,0.546,3.27,[2.56:3.98],1,0.436,0.517,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,4,2,1,1,37.3,74.3386,0.534,1.624709484,0.918686155,3.49248101012888,1.949404529,0.934024125
C1CC[C@@H]([C@H](C)C(=O)O)[C@H]([C@@H]12)CC[C@H]2C(C)(C)CC,"hydrindane,,Custom_16",8315,"hydrindane,,Custom_16",1,1,0.285,0.449,1,1,0.419,0.517,1,1,0.275,0.555,1,1,0.825,0.809,1,1,0.428,0.61,1,1,0.404,0.581,0,1,3,5,3108,[1700:5500],1,0.432,0.572,2,0.47368421,0,0,0,1,0,4,0,-1,266.423,0,485.548,395.03,90.517,0,0,900.379,1,2,0,0.0041191,0.9287174,27.311,7.831,11.93,4.056,3.967,-3.73,-3.738,-0.878,347.636,-0.377,200.816,-2.804,0,0,1,0.36,3,95.656,0,0,46.807,2,0,0,9,0,9,9,19,0.0779488380948891,0.03,[0.01:0.05],1,0.362,0.739,19.49,[10.12:38.67],1,0.233,0.506,-4.62,[-4.9:-4.34],1,0.249,0.554,-10.82,[-10.96:-10.65],1,0.272,0.644,1.83,[1.58:2.08],1,0.593,0.722,1.08,[0.44:1.72],0,0.236,0.394,1,1,0.458972789393487,0.535773451335347,0.73,[0.08:1.38],1,0.339,0.455,3.04,[2.47:3.61],1,0.45,0.558,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,4,2,1,1,37.3,74.4324,0.534,1.624709484,0.918686155,3.49248101012888,1.949404529,0.934024125
C1CC[C@@H]([C@H](C)C(=O)O)[C@H]([C@@H]12)CC[C@H]2CCCCCC,"hydrindane,,Custom_17",8316,"hydrindane,,Custom_17",0,1,0.322,0.65,1,1,0.439,0.567,1,1,0.287,0.548,1,1,0.533,0.618,0,1,0.447,0.632,1,1,0.419,0.512,0,1,3,5,3563,[2000:6300],1,0.507,0.483,2,0.45,1,0,0,1,0,7,0,-1,280.45,0,570.439,480.336,90.103,0,0,1022.343,1,2,0,0.0035061,0.8603731,30.265,8.613,12.354,3.595,4.739,-4.789,-4.026,-1.984,350.796,-0.67,202.789,-2.508,0,0,1,0.56,3,100,0,0,46.251,2,0,0,9,0,9,9,20,0.0141493773579271,0.02,[0:0.04],1,0.368,0.758,19.46,[10.12:38.51],1,0.238,0.508,-4.74,[-5.13:-4.35],1,0.233,0.479,-10.82,[-10.96:-10.65],1,0.283,0.648,1.81,[1.55:2.07],1,0.395,0.657,1.33,[0.79:1.87],0,0.237,0.42,1,1,0.467667432592706,0.579325219108879,0.43,[0.04:0.84],1,0.373,0.548,2.87,[2.07:3.67],1,0.442,0.443,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,72.4541,0.613,1.609420652,0.919710667,3.55181582235102,1.931218512,0.932527188
C1CC[C@@H]([C@H](C)C(=O)O)[C@H]([C@@H]12)CC[C@H]2[C@@H](C)CCCC,"hydrindane,,Custom_18",8317,"hydrindane,,Custom_18",0,1,0.309,0.605,1,1,0.398,0.547,1,1,0.323,0.552,1,1,0.492,0.618,1,1,0.442,0.618,1,1,0.421,0.565,0,1,4,5,6394,[3600:11000],1,0.43,0.697,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,545.475,454.958,90.517,0,0,992.43,1,2,0,0.0036665,0.8821109,29.71,8.418,12.396,3.759,4.548,-4.495,-4.026,-1.632,347.636,-0.574,200.816,-2.612,0,0,1,0.522,3,100,0,0,46.807,2,0,0,9,0,9,9,20,0.0219441251963469,0.03,[0.02:0.04],1,0.363,0.752,19.47,[10.12:38.5],1,0.233,0.507,-4.74,[-5.13:-4.35],1,0.237,0.48,-10.82,[-10.96:-10.65],1,0.273,0.644,1.81,[1.56:2.06],1,0.453,0.678,1.08,[0.44:1.72],0,0.232,0.393,1,1,0.464917942842404,0.577950474233729,0.44,[0.04:0.85],1,0.355,0.542,2.64,[2.13:3.15],1,0.438,0.538,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,75.1662,0.574,1.609420652,0.919710667,3.80577263193567,1.931218512,0.932527188
C1CC[C@@H]([C@H](C)C(=O)O)[C@H]([C@@H]12)CC[C@H]2C[C@H](C)CCC,"hydrindane,,Custom_19",8318,"hydrindane,,Custom_19",0,1,0.282,0.628,1,1,0.438,0.567,1,1,0.321,0.551,1,1,0.493,0.595,0,1,0.446,0.627,1,1,0.42,0.63,0,1,4,5,6394,[3600:11000],1,0.432,0.694,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,551.161,460.643,90.517,0,0,998.778,1,2,0,0.0036287,0.8767305,29.964,8.454,12.441,3.772,4.587,-4.599,-4.026,-1.719,347.636,-0.583,200.816,-2.612,0,0,1,0.539,3,100,0,0,46.807,2,0,0,9,0,9,9,20,0.0172727537523065,0.03,[0.02:0.04],1,0.356,0.749,19.48,[10.12:38.53],1,0.235,0.507,-4.74,[-5.13:-4.35],1,0.24,0.481,-10.82,[-10.96:-10.65],1,0.273,0.644,1.82,[1.56:2.08],1,0.484,0.682,0.81,[0.3:1.34],0,0.236,0.462,1,1,0.469176521863985,0.580079763744519,0.44,[0.04:0.85],1,0.366,0.546,2.94,[2:3.91],1,0.436,0.409,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,77.12,0.574,1.609420652,0.919710667,3.80577263193567,1.931218512,0.932527188
C1CC[C@@H]([C@H](C)C(=O)O)[C@H]([C@@H]12)CC[C@H]2CC[C@@H](C)CC,"hydrindane,,Custom_20",8319,"hydrindane,,Custom_20",0,1,0.317,0.607,1,1,0.398,0.547,1,1,0.283,0.551,1,1,0.491,0.62,0,1,0.44,0.622,1,1,0.408,0.506,0,1,4,5,6393,[3600:11000],1,0.433,0.696,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,551.663,461.146,90.517,0,0,1001.089,1,2,0,0.0036254,0.8772822,30.057,8.478,12.483,3.774,4.602,-4.608,-4.026,-1.71,347.636,-0.582,200.816,-2.612,0,0,1,0.546,3,100,0,0,46.807,2,0,0,9,0,9,9,20,0.0169108996903106,0.03,[0.02:0.04],1,0.349,0.744,19.51,[10.12:38.56],1,0.235,0.507,-4.74,[-5.13:-4.35],1,0.235,0.481,-10.82,[-10.96:-10.65],1,0.273,0.644,1.82,[1.56:2.08],1,0.503,0.689,0.81,[0.3:1.34],0,0.235,0.462,1,1,0.475106975378417,0.583044990501735,0.44,[0.04:0.85],1,0.368,0.547,2.83,[2.06:3.6],1,0.439,0.455,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,76.7064,0.574,1.609420652,0.919710667,3.80570470443386,1.931218512,0.932527188
C1CC[C@@H]([C@H](C)C(=O)O)[C@H]([C@@H]12)CC[C@H]2CCCC(C)C,"hydrindane,,Custom_21",8320,"hydrindane,,Custom_21",0,1,0.288,0.63,1,1,0.438,0.567,1,1,0.283,0.549,1,1,0.534,0.596,0,1,0.445,0.632,1,1,0.425,0.551,0,1,4,5,6393,[3600:11000],1,0.443,0.699,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,559.787,469.27,90.517,0,0,1010.583,1,2,0,0.0035728,0.8700079,30.437,8.538,12.557,3.793,4.662,-4.757,-4.026,-1.828,347.636,-0.595,200.816,-2.612,0,0,1,0.571,3,100,0,0,46.807,2,0,0,9,0,9,9,20,0.0120081165916476,0.03,[0.02:0.04],1,0.339,0.741,19.51,[10.12:38.56],1,0.235,0.507,-4.81,[-5.15:-4.47],1,0.237,0.508,-10.82,[-10.96:-10.65],1,0.273,0.644,1.83,[1.58:2.08],1,0.542,0.705,1.33,[0.79:1.87],0,0.233,0.419,1,1,0.477298532808676,0.584140769216864,0.44,[0.04:0.85],1,0.378,0.55,2.83,[2.05:3.61],1,0.437,0.452,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,76.5402,0.574,1.609420652,0.919710667,3.80570470443386,1.931218512,0.932527188
C1CC[C@@H]([C@H](C)C(=O)O)[C@H]([C@@H]12)CC[C@H]2[C@@H](C)[C@H](C)CC,"hydrindane,,Custom_22",8321,"hydrindane,,Custom_22",0,1,0.615,0.762,1,1,0.397,0.546,1,1,0.322,0.547,1,1,0.526,0.61,1,1,0.441,0.617,1,1,0.414,0.604,0,1,3,5,3412,[1900:6100],1,0.436,0.592,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,519.827,429.31,90.517,0,0,958.456,1,2,0,0.0038474,0.9043876,28.993,8.213,12.355,3.917,4.334,-4.19,-4.026,-1.272,347.636,-0.476,200.816,-2.708,0,0,1,0.474,3,100,0,0,46.807,2,0,0,9,0,9,9,20,0.035519212644853,0.03,[0.02:0.04],1,0.368,0.75,19.52,[10.12:38.56],1,0.23,0.505,-4.73,[-5.12:-4.34],1,0.237,0.481,-10.82,[-10.96:-10.65],1,0.269,0.642,1.81,[1.56:2.06],1,0.472,0.685,0.81,[0.3:1.34],0,0.235,0.462,1,1,0.460551214009546,0.536562663643377,0.71,[0.07:1.35],1,0.326,0.453,2.72,[2.11:3.33],1,0.441,0.521,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,76.3381,0.535,1.609420652,0.919710667,3.53300902249549,1.931218512,0.932527188
C1CC[C@@H]([C@H](C)C(=O)O)[C@H]([C@@H]12)CC[C@H]2C[C@H](C)C(C)C,"hydrindane,,Custom_23",8322,"hydrindane,,Custom_23",0,1,0.312,0.606,1,1,0.397,0.546,1,1,0.288,0.55,1,1,0.526,0.649,1,1,0.441,0.617,1,1,0.408,0.507,0,1,3,5,3413,[1900:6100],1,0.444,0.605,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,539.3,448.782,90.517,0,0,985.515,1,2,0,0.0037085,0.8880631,30.076,8.38,12.626,3.964,4.504,-4.545,-4.026,-1.536,347.636,-0.503,200.816,-2.708,0,0,1,0.547,3,100,0,0,46.807,2,0,0,9,0,9,9,20,0.0156797571962543,0.03,[0.02:0.04],1,0.351,0.744,19.55,[10.12:38.6],1,0.231,0.506,-4.62,[-4.9:-4.34],1,0.239,0.549,-10.82,[-10.96:-10.65],1,0.269,0.642,1.83,[1.58:2.08],1,0.549,0.707,0.81,[0.3:1.34],0,0.238,0.463,1,1,0.472504621939421,0.581743813782237,0.43,[0.04:0.84],1,0.354,0.541,2.71,[2.09:3.33],1,0.436,0.515,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,78.1257,0.535,1.609420652,0.919710667,3.53313628827864,1.931218512,0.932527188
C1CC[C@@H]([C@H](C)C(=O)O)[C@H]([C@@H]12)CC[C@H]2C(C)(C)CCC,"hydrindane,,Custom_24",8323,"hydrindane,,Custom_24",1,1,0.308,0.497,1,1,0.411,0.513,1,1,0.272,0.539,1,1,0.532,0.716,0,1,0.439,0.671,1,1,0.406,0.638,0,1,3,5,3420,[1900:6100],1,0.436,0.592,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,519.089,428.572,90.517,0,0,961.125,1,2,0,0.0038529,0.9073535,29.1,8.254,12.425,3.916,4.352,-4.176,-4.026,-1.224,347.636,-0.471,200.816,-2.708,0,0,1,0.482,3,100,0,0,46.807,2,0,0,9,0,9,9,20,0.0366353257460339,0.03,[0.02:0.04],1,0.358,0.747,19.56,[10.09:38.59],1,0.224,0.505,-4.74,[-5.13:-4.35],1,0.237,0.48,-10.82,[-10.96:-10.64],0,0.258,0.638,1.83,[1.58:2.08],1,0.542,0.705,1.08,[0.44:1.72],0,0.232,0.393,1,1,0.449699293847479,0.531136703562343,0.72,[0.08:1.36],1,0.328,0.453,2.74,[2.12:3.36],1,0.434,0.519,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,77.7576,0.534,1.609420652,0.919710667,3.53402610605613,1.931218512,0.932527188
C1CC[C@@H]([C@H](C)C(=O)O)[C@H]([C@@H]12)CC[C@H]2CC(C)(C)CC,"hydrindane,,Custom_25",8324,"hydrindane,,Custom_25",1,1,0.259,0.533,1,1,0.411,0.513,1,1,0.235,0.514,1,1,0.527,0.686,1,1,0.445,0.622,1,1,0.427,0.553,0,1,3,5,3421,[1900:6100],1,0.436,0.593,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,526.411,435.894,90.517,0,0,962.233,1,2,0,0.0037993,0.8954202,29.144,8.201,12.33,3.933,4.357,-4.31,-4.026,-1.417,347.636,-0.49,200.816,-2.708,0,0,1,0.483,3,100,0,0,46.807,2,0,0,9,0,9,9,20,0.0269465606179613,0.06,[0.01:0.13],1,0.337,0.669,19.62,[10.12:38.66],1,0.226,0.504,-4.8,[-5.14:-4.46],1,0.241,0.509,-10.82,[-10.96:-10.64],0,0.258,0.638,1.84,[1.6:2.08],1,0.619,0.738,0.81,[0.3:1.34],0,0.239,0.463,1,1,0.464415920419734,0.53849501684847,0.43,[0.04:0.84],1,0.353,0.54,2.72,[2.09:3.35],1,0.43,0.513,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,79.187,0.534,1.609420652,0.919710667,3.53415307418506,1.931218512,0.932527188
C1CC[C@@H]([C@H](C)C(=O)O)[C@H]([C@@H]12)CC[C@H]2CCC(C)(C)C,"hydrindane,,Custom_26",8325,"hydrindane,,Custom_26",0,1,0.176,0.523,1,1,0.371,0.493,1,1,0.238,0.515,1,1,0.529,0.648,0,1,0.435,0.632,1,1,0.444,0.621,0,1,3,5,3422,[1900:6100],1,0.42,0.587,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,541.242,450.725,90.517,0,0,994.693,1,2,0,0.0036952,0.890361,30.443,8.476,12.793,3.969,4.564,-4.58,-4.026,-1.499,347.636,-0.499,200.816,-2.708,0,0,1,0.573,3,100,0,0,46.807,2,0,0,9,0,9,9,20,0.0144497526636107,0.06,[0.01:0.13],1,0.32,0.657,19.65,[10.12:38.69],1,0.227,0.504,-4.8,[-5.13:-4.47],1,0.241,0.51,-10.82,[-10.96:-10.64],0,0.258,0.638,1.84,[1.61:2.07],1,0.633,0.744,0.81,[0.3:1.34],0,0.238,0.462,1,1,0.471947179018175,0.581465092321614,0.44,[0.04:0.85],1,0.379,0.55,2.72,[2.09:3.35],1,0.422,0.506,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,78.9012,0.534,1.609420652,0.919710667,3.53428000520508,1.931218512,0.932527188
O=C(O)CCC[C@H](CCC1)[C@H]([C@@H]12)CC[C@H]2C,"hydrindane,Custom_43,Custom_1",8326,"hydrindane,Custom_43,Custom_1",0,1,0.361,0.573,1,1,0.425,0.564,1,1,0.406,0.615,0,1,0.489,0.727,0,1,0.459,0.684,0,1,0.387,0.647,0,1,4,5,5202,[2900:9300],1,0.489,0.602,2,0.5625,0,0,0,1,0,4,0,-1,224.342,0,469.955,361.797,108.158,0,0,820.898,1,2,0,0.0042557,0.902198,24.13,7.027,10.744,4.138,3.333,-3.448,-2.879,-1.307,236.504,-0.563,132.428,-3.129,0,0,1,0.135,3,88.946,0,0,50.947,2,0,0,9,0,9,9,16,0.0594098888803394,0.02,[0.01:0.03],1,0.351,0.756,7,[0.01:51.92],1,0.267,0.334,-4.67,[-4.9:-4.44],1,0.262,0.579,-10.88,[-11.02:-10.74],1,0.387,0.719,1.87,[1.53:2.21],1,0.39,0.619,0.71,[0.3:1.12],0,0.238,0.519,1,1,0.489605690957658,0.551089902117432,-0.31,[-0.64:0.02],1,0.314,0.581,2.65,[2.17:3.21],1,0.527,0.571,224.177630008,40,16,14,2,0,0,2,0,0.928571428571429,4,2,1,1,37.3,58.7482,0.652,1.574918909,0.917826007,3.71617034785985,1.926491984,0.924638525
O=C(O)CCC[C@H](CCC1)[C@H]([C@@H]12)CC[C@H]2CC,"hydrindane,Custom_43,Custom_3",8327,"hydrindane,Custom_43,Custom_3",0,1,0.342,0.568,1,1,0.419,0.56,1,1,0.402,0.636,0,1,0.451,0.72,0,1,0.467,0.639,0,1,0.423,0.586,0,1,4,5,6284,[3500:11000],1,0.417,0.678,2,0.52941176,1,0,0,1,0,5,0,-1,238.369,0,494.103,385.879,108.225,0,0,871.462,1,2,0,0.0040477,0.8929895,25.511,7.456,11.172,3.976,3.653,-3.722,-3.164,-1.456,236.159,-0.643,132.219,-3.034,0,0,1,0.23,3,90.81,0,0,50.88,2,0,0,9,0,9,9,17,0.041777873544527,0.03,[0.02:0.04],1,0.352,0.762,6.17,[0.01:27.97],1,0.258,0.386,-4.79,[-5.12:-4.46],1,0.252,0.52,-10.79,[-10.96:-10.62],1,0.355,0.682,1.89,[1.54:2.24],1,0.399,0.62,0.71,[0.3:1.13],0,0.227,0.514,1,1,0.488941985545436,0.550758049411322,0.11,[-0.21:0.43],1,0.34,0.568,3.31,[2.52:4.1],1,0.469,0.491,238.193280072,43,17,15,2,0,0,2,0,0.933333333333333,5,2,1,1,37.3,61.826,0.652,1.568343624,0.914081282,3.79823617636794,1.928734681,0.924826502
O=C(O)CCC[C@H](CCC1)[C@H]([C@@H]12)CC[C@H]2CCC,"hydrindane,Custom_43,Custom_4",8328,"hydrindane,Custom_43,Custom_4",0,1,0.29,0.595,1,1,0.412,0.556,1,1,0.352,0.605,0,1,0.453,0.639,0,1,0.444,0.66,1,1,0.39,0.528,0,1,3,5,3523,[2000:6300],1,0.68,0.832,2,0.5,1,0,0,1,0,6,0,-1,252.396,0,525.518,417.36,108.158,0,0,929.927,1,2,0,0.0038058,0.8767528,27.209,7.928,11.651,3.831,4.024,-4.131,-3.45,-1.719,236.504,-0.736,132.428,-2.937,0,0,1,0.347,3,92.994,0,0,50.947,2,0,0,9,0,9,9,18,0.021612612791935,0.02,[0.01:0.03],1,0.348,0.746,19.58,[10.12:38.97],1,0.254,0.511,-4.8,[-5.13:-4.47],1,0.244,0.512,-10.82,[-10.97:-10.65],1,0.329,0.678,1.81,[1.54:2.08],1,0.421,0.657,0.88,[0.42:1.34],0,0.224,0.493,1,1,0.480764462797651,0.585873734211352,0.12,[-0.2:0.44],1,0.346,0.566,3.63,[3.05:4.14],1,0.42,0.529,252.208930136,46,18,16,2,0,0,2,0,0.9375,6,2,1,1,37.3,66.2778,0.652,1.65465485,0.920814116,3.54691264318124,1.974165103,0.935447087
O=C(O)CCC[C@H](CCC1)[C@H]([C@@H]12)CC[C@H]2C(C)C,"hydrindane,Custom_43,Custom_5",8329,"hydrindane,Custom_43,Custom_5",0,1,0.33,0.571,1,1,0.412,0.555,1,1,0.354,0.606,0,1,0.444,0.617,0,1,0.47,0.639,0,1,0.434,0.595,0,1,3,5,3207,[1800:5700],1,0.424,0.599,2,0.5,1,0,0,1,0,5,0,-1,252.396,0,503.839,396.539,107.3,0,0,903.286,1,2,0,0.0039695,0.8969266,26.785,7.776,11.69,3.993,3.863,-3.899,-3.45,-1.392,240.977,-0.627,135.138,-3.017,0,0,1,0.319,3,92.199,0,0,50.539,2,0,0,9,0,9,9,18,0.0306307808152104,0.02,[0.01:0.03],1,0.346,0.744,19.59,[10.12:38.95],1,0.251,0.51,-4.8,[-5.13:-4.47],1,0.243,0.514,-10.82,[-10.97:-10.65],1,0.312,0.671,1.81,[1.54:2.08],1,0.465,0.672,0.86,[0.38:1.34],0,0.219,0.483,1,1,0.494076620335829,0.592529812980441,0.13,[-0.19:0.45],1,0.351,0.567,3.57,[3.02:4.12],1,0.443,0.532,252.208930136,46,18,16,2,0,0,2,0,0.9375,5,2,1,1,37.3,67.2835,0.613,1.65465485,0.920814116,3.50609895992844,1.974165103,0.935447087
O=C(O)CCC[C@H](CCC1)[C@H]([C@@H]12)CC[C@H]2CCCC,"hydrindane,Custom_43,Custom_6",8330,"hydrindane,Custom_43,Custom_6",0,1,0.286,0.631,1,1,0.405,0.551,1,1,0.285,0.537,1,1,0.536,0.591,0,1,0.447,0.651,1,1,0.411,0.535,0,1,3,5,4161,[2300:7400],1,0.421,0.467,2,0.47368421,1,0,0,1,0,7,0,-1,266.423,0,548.284,444.953,103.33,0,0,976.657,1,2,0,0.0036477,0.8682696,28.437,8.302,11.937,3.632,4.355,-4.383,-3.738,-1.856,262.797,-0.772,148.411,-2.752,0,0,1,0.433,3,95.753,0,0,50.946,2,0,0,9,0,9,9,19,0.019514888059868,0.02,[0:0.04],1,0.358,0.756,19.57,[10.12:38.71],1,0.247,0.51,-4.81,[-5.15:-4.47],1,0.235,0.506,-10.82,[-10.97:-10.65],1,0.309,0.67,1.81,[1.55:2.07],1,0.41,0.661,0.88,[0.41:1.35],0,0.219,0.491,1,1,0.473190047769294,0.582086526697173,0.19,[-0.13:0.51],1,0.348,0.569,3.26,[2.29:4.2],1,0.424,0.388,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,7,2,1,1,37.3,69.1894,0.652,1.624709484,0.918686155,3.61919771579295,1.949404529,0.934024125
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C1CC[C@@H](C(C)(C)C(=O)O)[C@H]([C@@H]12)CC[C@H]2C(C)(C)CC,"hydrindane,Custom_46,Custom_16",8415,"hydrindane,Custom_46,Custom_16",0,1,0.19,0.518,1,1,0.385,0.478,1,1,0.33,0.483,1,1,0.484,0.666,0,1,0.426,0.681,1,1,0.396,0.698,0,1,3,5,3313,[1900:5900],1,0.409,0.481,2,0.45,2,0,0,1,0,4,0,-1,280.45,0,490.065,441.586,48.479,0,0,922.7,1,2,0,0.0040811,0.9353011,28.204,7.781,11.656,3.781,4.402,-3.812,-4.026,-0.771,870.511,-0.047,541.615,-2.029,0,0,0,0.423,3,100,0,0,32.168,2,0,0,9,0,9,9,20,0.404618400123146,0.09,[0.01:0.17],1,0.35,0.65,23.18,[10.5:40.93],1,0.214,0.514,-4.62,[-4.9:-4.34],1,0.23,0.547,-10.76,[-10.96:-10.55],0,0.258,0.628,1.84,[1.61:2.07],1,0.693,0.767,1.33,[0.79:1.87],0,0.243,0.423,0,1,0.433732113773636,0.562357559699345,0.73,[0.09:1.37],1,0.31,0.446,2.97,[2.42:3.52],1,0.427,0.593,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,4,2,1,1,37.3,79.4731,0.494,1.609420652,0.919710667,3.52022143588196,1.931218512,0.932527188
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C1CC[C@@H](C(C)(C)C(=O)O)[C@H]([C@@H]12)CC[C@H]2[C@@H](C)CCCC,"hydrindane,Custom_46,Custom_18",8417,"hydrindane,Custom_46,Custom_18",1,1,0.271,0.441,1,1,0.404,0.51,1,1,0.27,0.53,1,1,0.54,0.728,0,1,0.431,0.716,1,1,0.409,0.671,0,1,4,5,6178,[3500:11000],1,0.593,0.742,2,0.42857143,2,0,0,1,0,6,0,-1,294.476,0,550.499,502.02,48.479,0,0,1017.576,1,2,0,0.0036331,0.8887642,30.717,8.383,12.175,3.485,5.001,-4.587,-4.316,-1.524,870.511,-0.207,541.615,-1.837,0,0,0,0.594,3,95.887,0,0,32.168,2,1,0,9,0,9,9,21,0.111026928427184,0.06,[0.01:0.13],1,0.355,0.677,23.06,[10.5:40.74],1,0.215,0.514,-4.82,[-5.16:-4.48],1,0.217,0.501,-10.76,[-10.96:-10.55],0,0.258,0.628,1.83,[1.58:2.08],1,0.53,0.701,1.33,[0.79:1.87],0,0.238,0.421,1,1,0.434480420358224,0.523527266817715,0.71,[0.07:1.35],1,0.322,0.454,2.66,[2.14:3.18],1,0.416,0.53,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,6,2,1,1,37.3,80.2069,0.534,1.609420652,0.919710667,3.79084790396543,1.931218512,0.932527188
C1CC[C@@H](C(C)(C)C(=O)O)[C@H]([C@@H]12)CC[C@H]2C[C@H](C)CCC,"hydrindane,Custom_46,Custom_19",8418,"hydrindane,Custom_46,Custom_19",1,1,0.214,0.496,1,1,0.404,0.51,1,1,0.27,0.53,1,1,0.502,0.721,0,1,0.429,0.699,1,1,0.41,0.705,0,1,4,5,6178,[3500:11000],1,0.593,0.736,2,0.42857143,2,0,0,1,0,6,0,-1,294.476,0,547.482,499.651,47.831,0,0,1016.74,1,2,0,0.0036531,0.8931721,30.683,8.39,12.196,3.473,5.001,-4.532,-4.316,-1.453,882.915,-0.198,549.962,-1.825,0,0,0,0.592,3,95.996,0,0,31.99,2,1,0,9,0,9,9,21,0.129581072142182,0.06,[0.01:0.13],1,0.348,0.674,23.07,[10.5:40.78],1,0.216,0.514,-4.82,[-5.16:-4.48],1,0.22,0.501,-10.76,[-10.96:-10.55],0,0.258,0.628,1.83,[1.58:2.08],1,0.562,0.714,1.33,[0.79:1.87],0,0.241,0.422,1,1,0.435300650500202,0.523937381888705,0.71,[0.08:1.34],1,0.334,0.459,2.66,[2.13:3.19],1,0.419,0.528,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,6,2,1,1,37.3,82.1607,0.534,1.609420652,0.919710667,3.79084790396543,1.931218512,0.932527188
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C1CC[C@@H](C(C)(C)C(=O)O)[C@H]([C@@H]12)CC[C@H]2CC(C)(C)CC,"hydrindane,Custom_46,Custom_25",8424,"hydrindane,Custom_46,Custom_25",1,0,0.197,0.482,1,1,0.425,0.498,1,1,0.326,0.485,1,1,0.809,0.876,0,1,0.435,0.702,1,1,0.422,0.675,0,1,3,5,3418,[1900:6100],1,0.626,0.771,2,0.42857143,2,0,0,1,0,5,0,-1,294.476,0,523.083,475.251,47.832,0,0,980.394,1,2,0,0.0038235,0.9124196,29.871,8.156,12.082,3.635,4.772,-4.249,-4.316,-1.142,882.894,-0.121,549.948,-1.921,0,0,0,0.537,3,100,0,0,31.99,2,0,0,9,0,9,9,21,0.199082195902548,0.06,[0:0.14],1,0.333,0.662,23.24,[10.5:40.89],1,0.207,0.512,-4.82,[-5.16:-4.48],1,0.223,0.502,-10.76,[-10.96:-10.55],0,0.246,0.624,1.84,[1.6:2.08],1,0.578,0.721,1.33,[0.79:1.87],0,0.244,0.423,0,1,0.434377367171965,0.523475740224586,0.71,[0.07:1.35],1,0.322,0.453,2.66,[2.15:3.17],1,0.408,0.535,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,5,2,1,1,37.3,84.2277,0.494,1.609420652,0.919710667,3.53377205838472,1.931218512,0.932527188
C1CC[C@@H](C(C)(C)C(=O)O)[C@H]([C@@H]12)CC[C@H]2CCC(C)(C)C,"hydrindane,Custom_46,Custom_26",8425,"hydrindane,Custom_46,Custom_26",1,0,0.168,0.455,1,1,0.465,0.518,1,1,0.326,0.485,1,1,0.54,0.728,0,1,0.433,0.701,1,1,0.407,0.616,0,1,3,5,3419,[1900:6100],1,0.506,0.727,2,0.42857143,2,0,0,1,0,5,0,-1,294.476,0,538.046,490.216,47.831,0,0,1013.167,1,2,0,0.0037172,0.9067048,31.182,8.422,12.551,3.671,4.981,-4.522,-4.316,-1.234,882.915,-0.126,549.962,-1.921,0,0,0,0.627,3,100,0,0,31.99,2,0,0,9,0,9,9,21,0.106200823021519,0.06,[0:0.14],1,0.315,0.655,22.53,[10.5:40.33],1,0.208,0.513,-4.81,[-5.15:-4.47],1,0.222,0.5,-10.76,[-10.96:-10.55],0,0.246,0.624,1.84,[1.59:2.09],1,0.547,0.708,1.33,[0.79:1.87],0,0.243,0.423,0,1,0.431184441583147,0.497346384239719,0.44,[0.04:0.85],1,0.351,0.542,2.66,[2.15:3.17],1,0.408,0.531,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,5,2,1,1,37.3,83.9419,0.494,1.609420652,0.919710667,3.53389910079659,1.931218512,0.932527188
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O=C(O)CCCC[C@H](CCC1)[C@H]([C@@H]12)CC[C@H]2[C@@H](C)CCC,"hydrindane,Custom_47,Custom_11",8435,"hydrindane,Custom_47,Custom_11",0,1,0.303,0.642,1,1,0.433,0.564,1,1,0.345,0.586,1,1,0.58,0.561,0,1,0.572,0.635,1,1,0.423,0.558,0,1,3,5,4400,[2500:7800],1,0.437,0.458,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,587.128,490.134,96.994,0,0,1065.718,1,2,0,0.0034064,0.8593971,31.359,9.066,12.858,3.462,4.969,-4.933,-4.316,-2,301.79,-0.794,172.35,-2.539,0,0,1,0.639,3,100,0,0,47.724,2,0,0,9,0,9,9,21,0.00994150541727481,0.03,[0.01:0.04],1,0.354,0.754,30.21,[10.5:77.78],1,0.225,0.44,-4.93,[-5.29:-4.57],1,0.216,0.487,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.398,0.659,1.08,[0.56:1.6],0,0.209,0.43,1,1,0.46201298557862,0.576497995601836,0.45,[0.04:0.86],1,0.325,0.533,3.44,[2.24:4.64],1,0.431,0.337,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,77.7247,0.613,1.609420652,0.919710667,3.64345267648619,1.931218512,0.932527188
O=C(O)CCCC[C@H](CCC1)[C@H]([C@@H]12)CC[C@H]2C[C@H](C)CC,"hydrindane,Custom_47,Custom_12",8436,"hydrindane,Custom_47,Custom_12",0,1,0.311,0.644,1,1,0.433,0.564,1,1,0.344,0.585,1,1,0.575,0.6,0,1,0.448,0.62,1,1,0.434,0.524,0,1,3,5,4400,[2500:7800],1,0.445,0.46,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,587.448,493.354,94.094,0,0,1067.295,1,2,0,0.0034046,0.8597761,31.422,9.061,12.839,3.443,5,-4.938,-4.316,-1.993,321.517,-0.767,184.558,-2.486,0,0,1,0.643,3,100,0,0,47.983,2,0,0,9,0,9,9,21,0.0110921300880659,0.03,[0.01:0.04],1,0.358,0.756,30.24,[10.5:77.78],1,0.226,0.44,-4.92,[-5.28:-4.56],1,0.216,0.487,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.387,0.655,0.86,[0.38:1.34],0,0.212,0.48,1,1,0.467208999761858,0.579096002693455,0.44,[0.04:0.85],1,0.33,0.535,3.44,[2.24:4.64],1,0.43,0.336,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,78.1383,0.613,1.609420652,0.919710667,3.64345267648619,1.931218512,0.932527188
O=C(O)CCCC[C@H](CCC1)[C@H]([C@@H]12)CC[C@H]2CCC(C)C,"hydrindane,Custom_47,Custom_13",8437,"hydrindane,Custom_47,Custom_13",0,1,0.274,0.593,1,1,0.433,0.564,1,1,0.349,0.59,1,1,0.538,0.583,0,1,0.441,0.617,1,1,0.436,0.515,0,1,3,5,4401,[2500:7800],1,0.451,0.461,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,594.003,499.909,94.094,0,0,1078.181,1,2,0,0.003367,0.8560593,31.858,9.153,12.969,3.459,5.069,-5.059,-4.316,-2.054,321.517,-0.775,184.558,-2.486,0,0,1,0.673,3,88.542,0,0,47.983,2,1,0,9,0,9,9,21,0.00840510538064461,0.06,[0.01:0.13],1,0.326,0.675,30.25,[10.5:77.77],1,0.226,0.44,-4.92,[-5.28:-4.56],1,0.215,0.487,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.452,0.68,1.08,[0.56:1.6],0,0.212,0.432,1,1,0.470776476502413,0.580879741063733,0.16,[-0.24:0.56],1,0.337,0.539,3.44,[2.24:4.64],1,0.427,0.334,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,79.0987,0.613,1.609420652,0.919710667,3.64355136856294,1.931218512,0.932527188
O=C(O)CCCC[C@H](CCC1)[C@H]([C@@H]12)CC[C@H]2[C@@H](C)C(C)C,"hydrindane,Custom_47,Custom_14",8438,"hydrindane,Custom_47,Custom_14",0,1,0.59,0.757,1,1,0.353,0.523,1,1,0.342,0.582,1,1,0.569,0.556,0,1,0.529,0.619,1,1,0.421,0.562,0,1,3,5,3634,[2000:6500],1,0.425,0.462,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,569.107,472.113,96.994,0,0,1039.222,1,2,0,0.0035143,0.8718526,30.941,8.858,12.855,3.639,4.801,-4.765,-4.316,-1.798,301.79,-0.709,172.35,-2.635,0,0,1,0.609,3,100,0,0,47.724,2,0,0,9,0,9,9,21,0.0117313491855227,0.06,[0.01:0.13],1,0.342,0.681,16.28,[3:36.19],1,0.223,0.461,-4.92,[-5.28:-4.56],1,0.216,0.487,-10.82,[-10.96:-10.64],0,0.257,0.638,1.82,[1.57:2.07],1,0.439,0.675,1.06,[0.52:1.6],0,0.21,0.42,1,1,0.461977954446399,0.576480480035726,0.44,[0.04:0.85],1,0.316,0.53,3.36,[2.17:4.55],1,0.43,0.34,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,78.7304,0.574,1.609420652,0.919710667,3.56038492297202,1.931218512,0.932527188
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O=C(O)CCCC[C@H](CCC1)[C@H]([C@@H]12)CC[C@H]2C(C)(C)CC,"hydrindane,Custom_47,Custom_16",8440,"hydrindane,Custom_47,Custom_16",1,1,0.262,0.438,1,1,0.404,0.516,1,1,0.262,0.527,0,1,0.779,0.798,1,1,0.439,0.612,1,1,0.418,0.57,0,1,3,5,3573,[2000:6400],1,0.511,0.734,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,567.733,459.667,108.066,0,0,1040.023,1,2,0,0.0035228,0.8744129,30.973,8.952,13.075,3.711,4.73,-4.739,-4.316,-1.757,236.98,-0.801,132.717,-2.839,0,0,1,0.612,3,100,0,0,50.878,2,0,0,9,0,9,9,21,0.00777137806970313,0.06,[0.01:0.13],1,0.331,0.674,16.18,[3:36.09],1,0.218,0.459,-4.92,[-5.28:-4.56],1,0.212,0.486,-10.82,[-10.96:-10.64],0,0.248,0.635,1.82,[1.57:2.07],1,0.463,0.684,1.06,[0.52:1.6],0,0.207,0.419,1,1,0.453273615796212,0.532923864536709,0.45,[0.04:0.86],1,0.308,0.527,3.37,[2.18:4.56],1,0.425,0.34,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,79.9025,0.573,1.609420652,0.919710667,3.55303301620244,1.931218512,0.932527188
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O=C(O)CCCC[C@H](CCC1)[C@H]([C@@H]12)CC[C@H]2[C@@H](C)CCCC,"hydrindane,Custom_47,Custom_18",8442,"hydrindane,Custom_47,Custom_18",0,1,0.295,0.638,1,1,0.429,0.56,1,1,0.378,0.636,1,1,0.883,0.712,1,1,0.57,0.646,1,1,0.432,0.565,0,1,4,5,5291,[3000:9400],1,0.351,0.441,2,0.40909091,1,0,0,1,0,9,0,-1,308.503,0,623.958,516.635,107.323,0,0,1129.167,1,2,0,0.0032053,0.8404559,33.256,9.694,13.526,3.4,5.303,-5.448,-4.606,-2.306,240.854,-0.992,135.063,-2.633,0,0,1,0.772,3,87.666,0,0,50.54,2,1,0,9,0,9,9,22,0.00256016295345471,0.03,[0.01:0.04],1,0.352,0.754,16.24,[3:36.09],1,0.216,0.459,-4.94,[-5.3:-4.58],1,0.206,0.484,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.357,0.645,1.08,[0.56:1.6],0,0.206,0.429,1,1,0.453636159565691,0.572309582595372,0.33,[-0.22:0.88],1,0.301,0.492,4.1,[2.97:5],1,0.416,0.355,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,80.6363,0.613,1.609420652,0.919710667,3.72353776153206,1.931218512,0.932527188
O=C(O)CCCC[C@H](CCC1)[C@H]([C@@H]12)CC[C@H]2C[C@H](C)CCC,"hydrindane,Custom_47,Custom_19",8443,"hydrindane,Custom_47,Custom_19",0,1,0.264,0.586,1,1,0.429,0.56,1,1,0.334,0.583,1,1,0.882,0.732,0,1,0.567,0.642,1,1,0.422,0.524,0,1,4,5,5292,[3000:9400],1,0.415,0.46,2,0.40909091,1,0,0,1,0,9,0,-2,308.503,0,629.641,522.317,107.323,0,0,1135.519,1,2,0,0.0031764,0.8359914,33.511,9.749,13.571,3.414,5.343,-5.552,-4.606,-2.378,240.854,-1.003,135.063,-2.633,0,0,1,0.789,3,87.901,0,0,50.54,2,1,0,9,0,9,9,22,0.00201130554989208,0.06,[0.01:0.12],1,0.345,0.684,16.29,[3:36.14],1,0.216,0.459,-4.94,[-5.3:-4.58],1,0.206,0.483,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.372,0.651,1.06,[0.52:1.6],0,0.208,0.419,1,1,0.457415149485548,0.5741990775553,0.32,[-0.23:0.87],1,0.307,0.494,4.04,[2.93:5],1,0.414,0.35,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,82.5901,0.613,1.609420652,0.919710667,3.72361983551546,1.931218512,0.932527188
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O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C,"hydrindane,,Custom_1",8676,"hydrindane,,Custom_1",0,1,0.682,0.719,1,1,0.427,0.566,1,1,0.371,0.637,0,1,0.523,0.688,0,1,0.434,0.647,0,1,0.339,0.644,0,1,4,5,8863,[5000:16000],1,0.626,0.51,2,0.6,0,0,0,1,0,2,0,-1,210.316,0,425.133,337.472,87.66,0,0,749.394,1,2,0,0.0047044,0.9385284,22.553,6.473,10.145,4.332,3.028,-2.969,-2.595,-0.719,370.013,-0.221,214.823,-2.943,0,0,1,0.032,3,90.641,0,0,46.309,2,0,0,9,0,9,9,15,0.257332496468241,0.05,[0:0.12],1,0.36,0.679,1.46,[0.01:23.77],1,0.283,0.36,-4.61,[-4.88:-4.34],1,0.292,0.58,-10.88,[-11.01:-10.75],1,0.413,0.728,0.49,[0.35:0.63],1,0.35,0.693,0.72,[0.3:1.14],0,0.266,0.523,1,1,0.4840461371776,0.587514571401327,-0.48,[-0.82:-0.14],1,0.316,0.611,2.54,[1.89:3.19],1,0.478,0.577,210.161979944,37,15,13,2,0,0,2,0,0.923076923076923,2,2,1,0,37.3,56.1897,0.613,1.574918909,0.917826007,3.94758074930432,1.926491984,0.924638525
O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC,"hydrindane,,Custom_3",8677,"hydrindane,,Custom_3",0,1,0.661,0.714,1,1,0.384,0.543,1,1,0.428,0.647,0,1,0.566,0.728,0,1,0.412,0.668,0,1,0.378,0.652,0,1,4,5,8887,[5000:16000],1,0.705,0.684,2,0.5625,0,0,0,1,0,3,0,-1,224.342,0,451.746,364.086,87.66,0,0,801.448,1,2,0,0.0044273,0.9236784,23.994,6.851,10.563,4.175,3.355,-3.289,-2.879,-0.959,370.013,-0.302,214.823,-2.847,0,0,1,0.128,3,92.557,0,0,46.309,2,0,0,9,0,9,9,16,0.166232863340877,0.02,[0.01:0.03],1,0.358,0.753,1.64,[0.01:23.62],1,0.271,0.36,-4.61,[-4.88:-4.34],1,0.283,0.571,-10.88,[-11.02:-10.74],1,0.375,0.715,1.89,[1.54:2.24],1,0.382,0.612,0.86,[0.38:1.34],0,0.254,0.492,1,1,0.489665478795183,0.590324242210118,-0.1,[-0.33:0.13],1,0.356,0.605,3.3,[2.62:3.98],1,0.498,0.532,224.177630008,40,16,14,2,0,0,2,0,0.928571428571429,3,2,1,1,37.3,59.2675,0.613,1.574918909,0.917826007,3.94875518016827,1.926491984,0.924638525
O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCC,"hydrindane,,Custom_4",8678,"hydrindane,,Custom_4",0,1,0.345,0.572,1,1,0.418,0.56,1,1,0.419,0.641,0,1,0.448,0.664,0,1,0.427,0.629,1,1,0.392,0.566,0,1,3,5,2900,[1600:5200],1,0.625,0.618,2,0.52941176,0,0,0,1,0,4,0,-1,238.369,0,483.312,395.652,87.66,0,0,859.834,1,2,0,0.0041381,0.9047888,25.688,7.274,11.039,4.031,3.723,-3.69,-3.164,-1.265,370.013,-0.391,214.823,-2.751,0,0,1,0.243,3,94.713,0,0,46.309,2,0,0,9,0,9,9,17,0.0864167450595685,0.03,[0.01:0.05],1,0.358,0.738,5.14,[0.01:25.53],1,0.263,0.408,-4.62,[-4.9:-4.34],1,0.278,0.566,-10.78,[-10.95:-10.61],1,0.342,0.677,1.86,[1.52:2.2],1,0.415,0.63,0.87,[0.39:1.35],0,0.251,0.491,1,1,0.495092168744014,0.593037587184533,0.19,[-0.23:0.65],1,0.363,0.535,3.53,[3.09:3.97],1,0.495,0.581,238.193280072,43,17,15,2,0,0,2,0,0.933333333333333,4,2,1,1,37.3,63.7193,0.613,1.568343624,0.914081282,3.46239799789896,1.928734681,0.924826502
O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)C,"hydrindane,,Custom_5",8679,"hydrindane,,Custom_5",0,1,0.639,0.715,1,1,0.378,0.539,1,1,0.703,0.783,0,1,0.482,0.673,0,1,0.424,0.63,1,1,0.39,0.536,0,1,4,5,5229,[2900:9300],1,0.545,0.581,2,0.52941176,0,0,0,1,0,3,0,-1,238.369,0,466.535,378.875,87.66,0,0,837.929,1,2,0,0.0042869,0.9213383,25.454,7.18,11.115,4.211,3.587,-3.561,-3.164,-0.997,370.013,-0.306,214.823,-2.847,0,0,1,0.228,3,93.914,0,0,46.309,2,0,0,9,0,9,9,17,0.0956841949022434,0.03,[0.01:0.05],1,0.364,0.74,5.28,[0.01:25.64],1,0.258,0.408,-4.62,[-4.89:-4.35],1,0.278,0.568,-10.82,[-10.97:-10.65],1,0.332,0.68,1.81,[1.54:2.08],1,0.441,0.662,0.87,[0.39:1.35],0,0.246,0.489,1,1,0.481990528239938,0.586486766932495,0.39,[-0.04:0.85],1,0.36,0.529,3.44,[2.91:3.97],1,0.495,0.572,238.193280072,43,17,15,2,0,0,2,0,0.933333333333333,3,2,1,1,37.3,64.725,0.574,1.568343624,0.914081282,3.71841864182966,1.928734681,0.924826502
O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCC,"hydrindane,,Custom_6",8680,"hydrindane,,Custom_6",0,1,0.338,0.575,1,1,0.412,0.555,1,1,0.38,0.623,0,1,0.449,0.666,0,1,0.436,0.627,1,1,0.398,0.53,0,1,3,5,3227,[1800:5700],1,0.5,0.621,2,0.5,1,0,0,1,0,5,0,-1,252.396,0,511.371,425.409,85.962,0,0,912.802,1,2,0,0.0039111,0.8899115,27.166,7.676,11.426,3.866,4.071,-4.036,-3.45,-1.506,383.988,-0.461,223.607,-2.624,0,0,1,0.344,3,100,0,0,45.108,2,0,0,9,0,9,9,18,0.0552730553934127,0.02,[0.01:0.03],1,0.359,0.748,19.38,[10.12:38.86],1,0.255,0.511,-4.62,[-4.9:-4.34],1,0.264,0.558,-10.82,[-10.97:-10.65],1,0.318,0.673,1.85,[1.52:2.18],1,0.426,0.636,0.87,[0.39:1.35],0,0.245,0.488,1,1,0.485677945963554,0.588330475794303,0.44,[0.04:0.86],1,0.373,0.545,3.56,[3:4.12],1,0.456,0.535,252.208930136,46,18,16,2,0,0,2,0,0.9375,5,2,1,1,37.3,66.6309,0.613,1.65465485,0.920814116,3.5087989654039,1.974165103,0.935447087
O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)CC,"hydrindane,,Custom_7",8681,"hydrindane,,Custom_7",0,1,0.648,0.733,1,1,0.371,0.535,1,1,0.368,0.586,1,1,0.485,0.619,0,1,0.431,0.632,1,1,0.402,0.555,0,1,4,5,5654,[3200:10000],1,0.541,0.6,2,0.5,0,0,0,1,0,4,0,-1,252.396,0,488.72,401.06,87.66,0,0,887.408,1,2,0,0.0040923,0.9138045,26.792,7.592,11.55,4.044,3.901,-3.788,-3.45,-1.119,370.013,-0.377,214.823,-2.751,0,0,1,0.321,3,95.754,0,0,46.309,2,0,0,9,0,9,9,18,0.0730332125276039,0.02,[0.01:0.03],1,0.368,0.749,19.39,[10.12:38.85],1,0.25,0.509,-4.62,[-4.9:-4.34],1,0.264,0.56,-10.82,[-10.97:-10.65],1,0.308,0.669,1.81,[1.54:2.08],1,0.438,0.662,0.81,[0.3:1.34],0,0.242,0.464,1,1,0.485000691979523,0.587991848802288,0.44,[0.04:0.86],1,0.361,0.541,3.31,[2.75:3.87],1,0.473,0.569,252.208930136,46,18,16,2,0,0,2,0,0.9375,4,2,1,1,37.3,67.8028,0.574,1.65465485,0.920814116,3.7523558041535,1.974165103,0.935447087
O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC(C)C,"hydrindane,,Custom_8",8682,"hydrindane,,Custom_8",0,1,0.289,0.63,1,1,0.451,0.575,1,1,0.377,0.622,0,1,0.448,0.652,0,1,0.438,0.626,1,1,0.405,0.535,0,1,4,5,5655,[3200:10000],1,0.459,0.573,2,0.5,0,0,0,1,0,4,0,-1,252.396,0,503.812,416.151,87.66,0,0,904.132,1,2,0,0.0039697,0.8975348,27.461,7.649,11.667,4.08,4.005,-4.061,-3.45,-1.382,370.013,-0.403,214.823,-2.751,0,0,1,0.364,3,96.361,0,0,46.309,2,0,0,9,0,9,9,18,0.038885952023784,0.02,[0.01:0.03],1,0.361,0.746,19.4,[10.12:38.87],1,0.252,0.51,-4.62,[-4.9:-4.34],1,0.271,0.562,-10.82,[-10.97:-10.65],1,0.308,0.669,1.81,[1.54:2.08],1,0.496,0.682,0.81,[0.3:1.34],0,0.246,0.465,1,1,0.489300568917496,0.590141787271274,0.39,[-0.04:0.84],1,0.368,0.532,3.49,[3:3.98],1,0.465,0.556,252.208930136,46,18,16,2,0,0,2,0,0.9375,4,2,1,1,37.3,69.5904,0.574,1.65465485,0.920814116,3.75243260926147,1.974165103,0.935447087
O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)(C)C,"hydrindane,,Custom_9",8683,"hydrindane,,Custom_9",1,1,0.266,0.494,1,1,0.428,0.521,1,1,0.279,0.545,1,1,0.815,0.786,0,1,0.424,0.63,1,1,0.394,0.613,0,1,4,5,5196,[2900:9200],1,0.451,0.576,2,0.5,0,0,0,1,0,3,0,-1,252.396,0,498.74,411.08,87.66,0,0,903.183,1,2,0,0.0040101,0.9060272,28.065,7.69,12.009,4.289,4.016,-4.169,-3.45,-1.245,370.013,-0.329,214.823,-2.847,0,0,1,0.406,3,96.426,0,0,46.309,2,0,0,9,0,9,9,18,0.0264882691564994,0.03,[0.01:0.05],1,0.359,0.738,19.47,[10.12:38.86],1,0.242,0.507,-4.62,[-4.89:-4.35],1,0.268,0.563,-10.82,[-10.97:-10.65],1,0.288,0.661,1.82,[1.56:2.08],1,0.552,0.703,0.81,[0.3:1.34],0,0.239,0.463,1,1,0.471350352494014,0.581166679059533,0.74,[0.09:1.39],1,0.364,0.455,3.33,[2.77:3.89],1,0.465,0.569,252.208930136,46,18,16,2,0,0,2,0,0.9375,3,2,1,1,37.3,69.584,0.534,1.65465485,0.920814116,3.71566914240099,1.974165103,0.935447087
O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCCC,"hydrindane,,Custom_10",8684,"hydrindane,,Custom_10",0,1,0.33,0.575,1,1,0.405,0.551,1,1,0.348,0.568,0,1,0.453,0.627,0,1,0.443,0.632,1,1,0.412,0.506,0,1,3,5,3893,[2200:6900],1,0.623,0.741,2,0.47368421,1,0,0,1,0,6,0,-1,266.423,0,544.358,458.101,86.258,0,0,973.554,1,2,0,0.0036741,0.872677,28.955,8.17,11.935,3.727,4.454,-4.474,-3.738,-1.785,381.52,-0.553,222.054,-2.533,0,0,1,0.468,3,100,0,0,45.654,2,0,0,9,0,9,9,19,0.026178980175375,0.03,[0.02:0.04],1,0.363,0.752,19.36,[10.12:38.59],1,0.247,0.51,-4.63,[-4.91:-4.35],1,0.248,0.551,-10.82,[-10.97:-10.65],1,0.299,0.665,1.81,[1.55:2.07],1,0.417,0.664,0.81,[0.3:1.34],0,0.238,0.462,1,1,0.476624476064968,0.58380374084501,0.44,[0.04:0.86],1,0.386,0.551,2.97,[2.12:3.82],1,0.435,0.451,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,6,2,1,1,37.3,69.5425,0.613,1.624709484,0.918686155,3.59028440371816,1.949404529,0.934024125
O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)CCC,"hydrindane,,Custom_11",8685,"hydrindane,,Custom_11",0,1,0.356,0.595,1,1,0.364,0.531,1,1,0.339,0.563,1,1,0.49,0.618,1,1,0.439,0.614,1,1,0.415,0.602,0,1,3,5,3449,[1900:6100],1,0.512,0.611,2,0.47368421,1,0,0,1,0,5,0,-1,266.423,0,519.374,431.713,87.66,0,0,945.985,1,2,0,0.0038508,0.8973073,28.494,8.04,12.044,3.897,4.273,-4.181,-3.738,-1.386,370.013,-0.464,214.823,-2.655,0,0,1,0.438,3,100,0,0,46.309,2,0,0,9,0,9,9,19,0.0388223882837497,0.03,[0.02:0.04],1,0.369,0.75,19.37,[10.12:38.58],1,0.243,0.509,-4.62,[-4.9:-4.34],1,0.251,0.553,-10.82,[-10.97:-10.65],1,0.288,0.66,1.82,[1.56:2.08],1,0.482,0.679,0.81,[0.3:1.34],0,0.238,0.462,1,1,0.473962744380066,0.58247287500256,0.44,[0.04:0.86],1,0.365,0.544,3.22,[2.51:3.93],1,0.449,0.522,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,5,2,1,1,37.3,72.2546,0.574,1.624709484,0.918686155,3.53769319436739,1.949404529,0.934024125
O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@H](C)CC,"hydrindane,,Custom_12",8686,"hydrindane,,Custom_12",0,1,0.326,0.613,1,1,0.404,0.551,1,1,0.342,0.567,1,1,0.489,0.61,0,1,0.444,0.629,1,1,0.413,0.507,0,1,3,5,3450,[1900:6100],1,0.452,0.602,2,0.47368421,1,0,0,1,0,5,0,-1,266.423,0,525.369,439.193,86.175,0,0,950.715,1,2,0,0.0038069,0.8900228,28.683,8.035,12.025,3.901,4.312,-4.291,-3.738,-1.504,382.208,-0.463,222.487,-2.628,0,0,1,0.45,3,100,0,0,45.479,2,0,0,9,0,9,9,19,0.0321545971065002,0.03,[0.02:0.04],1,0.365,0.749,19.39,[10.12:38.61],1,0.244,0.509,-4.62,[-4.9:-4.34],1,0.252,0.554,-10.82,[-10.97:-10.65],1,0.288,0.66,1.81,[1.54:2.08],1,0.464,0.673,0.81,[0.3:1.34],0,0.241,0.464,1,1,0.480006293458302,0.585494649541677,0.43,[0.04:0.85],1,0.374,0.546,3.23,[2.52:3.94],1,0.444,0.52,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,5,2,1,1,37.3,72.6682,0.574,1.624709484,0.918686155,3.53781909507327,1.949404529,0.934024125
O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCC(C)C,"hydrindane,,Custom_13",8687,"hydrindane,,Custom_13",0,1,0.293,0.632,1,1,0.444,0.571,1,1,0.346,0.569,0,1,0.529,0.646,0,1,0.44,0.631,1,1,0.407,0.523,0,1,3,5,3450,[1900:6100],1,0.445,0.606,2,0.47368421,1,0,0,1,0,5,0,-1,266.423,0,531.972,444.52,87.451,0,0,960.225,1,2,0,0.0037596,0.8848271,29.064,8.108,12.145,3.926,4.363,-4.411,-3.738,-1.588,371.705,-0.483,215.885,-2.651,0,0,1,0.475,3,100,0,0,46.379,2,0,0,9,0,9,9,19,0.0230844120411695,0.02,[0.01:0.03],1,0.347,0.741,19.4,[10.12:38.62],1,0.245,0.509,-4.63,[-4.91:-4.35],1,0.254,0.554,-10.82,[-10.97:-10.65],1,0.288,0.66,1.82,[1.56:2.08],1,0.573,0.713,0.81,[0.3:1.34],0,0.241,0.463,1,1,0.485030783292133,0.588006894458593,0.44,[0.04:0.86],1,0.384,0.55,3.24,[2.53:3.95],1,0.439,0.518,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,5,2,1,1,37.3,73.6286,0.574,1.624709484,0.918686155,3.53781909507327,1.949404529,0.934024125
O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)C(C)C,"hydrindane,,Custom_14",8688,"hydrindane,,Custom_14",0,1,0.339,0.583,1,1,0.363,0.53,1,1,0.345,0.56,1,1,0.826,0.759,1,1,0.438,0.615,1,1,0.413,0.603,0,1,4,5,5665,[3200:10000],1,0.438,0.568,2,0.47368421,0,0,0,1,0,4,0,-1,266.423,0,510.103,422.443,87.66,0,0,941.567,1,2,0,0.0039208,0.910768,28.959,8.074,12.379,4.095,4.247,-4.176,-3.738,-1.168,370.013,-0.382,214.823,-2.751,0,0,1,0.471,3,100,0,0,46.309,2,0,0,9,0,9,9,19,0.031546849599308,0.03,[0.01:0.05],1,0.368,0.743,19.43,[10.12:38.64],1,0.239,0.507,-4.62,[-4.9:-4.34],1,0.253,0.555,-10.82,[-10.96:-10.65],1,0.285,0.649,1.82,[1.56:2.08],1,0.54,0.701,0.81,[0.3:1.34],0,0.24,0.463,1,1,0.471260834584174,0.581121920104613,0.71,[0.07:1.35],1,0.35,0.46,3.04,[2.47:3.61],1,0.451,0.558,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,4,2,1,1,37.3,73.2603,0.535,1.624709484,0.918686155,3.75319991419942,1.949404529,0.934024125
O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC(C)(C)C,"hydrindane,,Custom_15",8689,"hydrindane,,Custom_15",0,1,0.251,0.575,1,1,0.419,0.517,1,1,0.278,0.557,1,1,0.573,0.638,0,1,0.434,0.633,1,1,0.406,0.615,0,1,3,5,3108,[1700:5500],1,0.432,0.569,2,0.47368421,0,0,0,1,0,4,0,-1,266.423,0,513.715,426.054,87.66,0,0,935.113,1,2,0,0.0038932,0.9002277,28.701,7.954,12.179,4.104,4.204,-4.241,-3.738,-1.339,370.013,-0.399,214.823,-2.751,0,0,1,0.451,3,100,0,0,46.309,2,0,0,9,0,9,9,19,0.0271186746844075,0.03,[0.01:0.05],1,0.337,0.73,19.51,[10.12:38.71],1,0.236,0.506,-4.79,[-5.13:-4.45],1,0.26,0.517,-10.82,[-10.96:-10.65],1,0.272,0.644,1.83,[1.58:2.08],1,0.623,0.734,0.81,[0.3:1.34],0,0.243,0.464,1,1,0.47259849714967,0.581790751387361,0.43,[0.04:0.85],1,0.376,0.546,3.27,[2.56:3.98],1,0.436,0.517,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,4,2,1,1,37.3,74.3386,0.534,1.624709484,0.918686155,3.49248101012888,1.949404529,0.934024125
O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)(C)CC,"hydrindane,,Custom_16",8690,"hydrindane,,Custom_16",1,1,0.285,0.449,1,1,0.419,0.517,1,1,0.275,0.555,1,1,0.825,0.809,1,1,0.428,0.61,1,1,0.404,0.581,0,1,3,5,3108,[1700:5500],1,0.432,0.572,2,0.47368421,0,0,0,1,0,4,0,-1,266.423,0,498.671,411.011,87.66,0,0,915.476,1,2,0,0.0040107,0.9143555,27.915,7.856,11.998,4.068,4.081,-3.968,-3.738,-1.11,370.013,-0.377,214.823,-2.751,0,0,1,0.399,3,96.805,0,0,46.309,2,0,0,9,0,9,9,19,0.0508863488844118,0.03,[0.01:0.05],1,0.362,0.739,19.49,[10.12:38.67],1,0.233,0.506,-4.62,[-4.9:-4.34],1,0.249,0.554,-10.82,[-10.96:-10.65],1,0.272,0.644,1.83,[1.58:2.08],1,0.593,0.722,1.08,[0.44:1.72],0,0.236,0.394,1,1,0.458972789393487,0.535773451335347,0.73,[0.08:1.38],1,0.339,0.455,3.04,[2.47:3.61],1,0.45,0.558,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,4,2,1,1,37.3,74.4324,0.534,1.624709484,0.918686155,3.49248101012888,1.949404529,0.934024125
O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCCCC,"hydrindane,,Custom_17",8691,"hydrindane,,Custom_17",0,1,0.322,0.65,1,1,0.439,0.567,1,1,0.287,0.548,1,1,0.533,0.618,0,1,0.447,0.632,1,1,0.419,0.512,0,1,3,5,3563,[2000:6300],1,0.507,0.483,2,0.45,1,0,0,1,0,7,0,-1,280.45,0,565.349,477.897,87.451,0,0,1023.941,1,2,0,0.0035376,0.8690241,30.329,8.638,12.428,3.565,4.769,-4.696,-4.026,-1.844,371.705,-0.63,215.885,-2.459,0,0,1,0.566,3,100,0,0,46.379,2,0,0,9,0,9,9,20,0.0196295620500248,0.02,[0:0.04],1,0.368,0.758,19.46,[10.12:38.51],1,0.238,0.508,-4.74,[-5.13:-4.35],1,0.233,0.479,-10.82,[-10.96:-10.65],1,0.283,0.648,1.81,[1.55:2.07],1,0.395,0.657,1.33,[0.79:1.87],0,0.237,0.42,1,1,0.467667432592706,0.579325219108879,0.43,[0.04:0.84],1,0.373,0.548,2.87,[2.07:3.67],1,0.442,0.443,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,72.4541,0.613,1.609420652,0.919710667,3.55181582235102,1.931218512,0.932527188
O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)CCCC,"hydrindane,,Custom_18",8692,"hydrindane,,Custom_18",0,1,0.309,0.605,1,1,0.398,0.547,1,1,0.323,0.552,1,1,0.492,0.618,1,1,0.442,0.618,1,1,0.421,0.565,0,1,4,5,6394,[3600:11000],1,0.43,0.697,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,550.971,463.31,87.66,0,0,1004.386,1,2,0,0.00363,0.8803128,30.189,8.501,12.52,3.752,4.644,-4.595,-4.026,-1.661,370.013,-0.552,214.823,-2.559,0,0,1,0.555,3,100,0,0,46.309,2,0,0,9,0,9,9,20,0.0196557323461326,0.03,[0.02:0.04],1,0.363,0.752,19.47,[10.12:38.5],1,0.233,0.507,-4.74,[-5.13:-4.35],1,0.237,0.48,-10.82,[-10.96:-10.65],1,0.273,0.644,1.81,[1.56:2.06],1,0.453,0.678,1.08,[0.44:1.72],0,0.232,0.393,1,1,0.464917942842404,0.577950474233729,0.44,[0.04:0.85],1,0.355,0.542,2.64,[2.13:3.15],1,0.438,0.538,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,75.1662,0.574,1.609420652,0.919710667,3.80577263193567,1.931218512,0.932527188
O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@@H](C)CCC,"hydrindane,,Custom_19",8693,"hydrindane,,Custom_19",0,1,0.282,0.628,1,1,0.438,0.567,1,1,0.321,0.551,1,1,0.493,0.595,0,1,0.446,0.627,1,1,0.42,0.63,0,1,4,5,6394,[3600:11000],1,0.432,0.694,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,542.652,462.021,80.63,0,0,995.276,1,2,0,0.0036856,0.8883949,29.824,8.402,12.343,3.685,4.636,-4.443,-4.026,-1.53,431.401,-0.479,253.593,-2.429,0,0,1,0.531,3,100,0,0,42.234,2,0,0,9,0,9,9,20,0.0375950670918123,0.03,[0.02:0.04],1,0.356,0.749,19.48,[10.12:38.53],1,0.235,0.507,-4.74,[-5.13:-4.35],1,0.24,0.481,-10.82,[-10.96:-10.65],1,0.273,0.644,1.82,[1.56:2.08],1,0.484,0.682,0.81,[0.3:1.34],0,0.236,0.462,1,1,0.469176521863985,0.580079763744519,0.44,[0.04:0.85],1,0.366,0.546,2.94,[2:3.91],1,0.436,0.409,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,77.12,0.574,1.609420652,0.919710667,3.80577263193567,1.931218512,0.932527188
O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC[C@H](C)CC,"hydrindane,,Custom_20",8694,"hydrindane,,Custom_20",0,1,0.317,0.607,1,1,0.398,0.547,1,1,0.283,0.551,1,1,0.491,0.62,0,1,0.44,0.622,1,1,0.408,0.506,0,1,4,5,6393,[3600:11000],1,0.433,0.696,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,555.88,468.22,87.66,0,0,1010.916,1,2,0,0.0035979,0.8763159,30.45,8.546,12.582,3.764,4.685,-4.685,-4.026,-1.726,370.013,-0.559,214.823,-2.559,0,0,1,0.573,3,100,0,0,46.309,2,0,0,9,0,9,9,20,0.0159830115412158,0.03,[0.02:0.04],1,0.349,0.744,19.51,[10.12:38.56],1,0.235,0.507,-4.74,[-5.13:-4.35],1,0.235,0.481,-10.82,[-10.96:-10.65],1,0.273,0.644,1.82,[1.56:2.08],1,0.503,0.689,0.81,[0.3:1.34],0,0.235,0.462,1,1,0.475106975378417,0.583044990501735,0.44,[0.04:0.85],1,0.368,0.547,2.83,[2.06:3.6],1,0.439,0.455,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,76.7064,0.574,1.609420652,0.919710667,3.80570470443386,1.931218512,0.932527188
O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCC(C)C,"hydrindane,,Custom_21",8695,"hydrindane,,Custom_21",0,1,0.288,0.63,1,1,0.438,0.567,1,1,0.283,0.549,1,1,0.534,0.596,0,1,0.445,0.632,1,1,0.425,0.551,0,1,4,5,6393,[3600:11000],1,0.443,0.699,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,562.626,476.368,86.258,0,0,1017.163,1,2,0,0.0035548,0.8693723,30.7,8.568,12.585,3.771,4.734,-4.809,-4.026,-1.838,381.52,-0.559,222.054,-2.533,0,0,1,0.589,3,100,0,0,45.654,2,0,0,9,0,9,9,20,0.012764242600592,0.03,[0.02:0.04],1,0.339,0.741,19.51,[10.12:38.56],1,0.235,0.507,-4.81,[-5.15:-4.47],1,0.237,0.508,-10.82,[-10.96:-10.65],1,0.273,0.644,1.83,[1.58:2.08],1,0.542,0.705,1.33,[0.79:1.87],0,0.233,0.419,1,1,0.477298532808676,0.584140769216864,0.44,[0.04:0.85],1,0.378,0.55,2.83,[2.05:3.61],1,0.437,0.452,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,76.5402,0.574,1.609420652,0.919710667,3.80570470443386,1.931218512,0.932527188
O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)[C@@H](C)CC,"hydrindane,,Custom_22",8696,"hydrindane,,Custom_22",0,1,0.615,0.762,1,1,0.397,0.546,1,1,0.322,0.547,1,1,0.526,0.61,1,1,0.441,0.617,1,1,0.414,0.604,0,1,3,5,3412,[1900:6100],1,0.436,0.592,2,0.45,0,0,0,1,0,5,0,-1,280.45,0,572.687,485.027,87.66,0,0,1020.006,1,2,0,0.0034923,0.8556889,31.456,8.559,12.784,4.025,4.74,-5.156,-4.026,-2.06,370.013,-0.536,214.823,-2.655,0,0,1,0.637,3,100,0,0,46.309,2,0,0,9,0,9,9,20,0.00433420279264889,0.03,[0.02:0.04],1,0.368,0.75,19.52,[10.12:38.56],1,0.23,0.505,-4.73,[-5.12:-4.34],1,0.237,0.481,-10.82,[-10.96:-10.65],1,0.269,0.642,1.81,[1.56:2.06],1,0.472,0.685,0.81,[0.3:1.34],0,0.235,0.462,1,1,0.460551214009546,0.536562663643377,0.71,[0.07:1.35],1,0.326,0.453,2.72,[2.11:3.33],1,0.441,0.521,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,76.3381,0.535,1.609420652,0.919710667,3.53300902249549,1.931218512,0.932527188
O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@@H](C)C(C)C,"hydrindane,,Custom_23",8697,"hydrindane,,Custom_23",0,1,0.312,0.606,1,1,0.397,0.546,1,1,0.288,0.55,1,1,0.526,0.649,1,1,0.441,0.617,1,1,0.408,0.507,0,1,3,5,3413,[1900:6100],1,0.444,0.605,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,539.12,451.46,87.66,0,0,992.37,1,2,0,0.0037097,0.8924731,30.35,8.444,12.731,3.945,4.569,-4.542,-4.026,-1.464,370.013,-0.472,214.823,-2.655,0,0,1,0.567,3,100,0,0,46.309,2,0,0,9,0,9,9,20,0.017834715782758,0.03,[0.02:0.04],1,0.351,0.744,19.55,[10.12:38.6],1,0.231,0.506,-4.62,[-4.9:-4.34],1,0.239,0.549,-10.82,[-10.96:-10.65],1,0.269,0.642,1.83,[1.58:2.08],1,0.549,0.707,0.81,[0.3:1.34],0,0.238,0.463,1,1,0.472504621939421,0.581743813782237,0.43,[0.04:0.84],1,0.354,0.541,2.71,[2.09:3.33],1,0.436,0.515,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,78.1257,0.535,1.609420652,0.919710667,3.53313628827864,1.931218512,0.932527188
O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)(C)CCC,"hydrindane,,Custom_24",8698,"hydrindane,,Custom_24",1,1,0.308,0.497,1,1,0.411,0.513,1,1,0.272,0.539,1,1,0.532,0.716,0,1,0.439,0.671,1,1,0.406,0.638,0,1,3,5,3420,[1900:6100],1,0.436,0.592,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,530.306,442.645,87.66,0,0,973.948,1,2,0,0.0037714,0.8960438,29.613,8.292,12.474,3.923,4.452,-4.381,-4.026,-1.407,370.013,-0.466,214.823,-2.655,0,0,1,0.516,3,100,0,0,46.309,2,0,0,9,0,9,9,20,0.0258308237491007,0.03,[0.02:0.04],1,0.358,0.747,19.56,[10.09:38.59],1,0.224,0.505,-4.74,[-5.13:-4.35],1,0.237,0.48,-10.82,[-10.96:-10.64],0,0.258,0.638,1.83,[1.58:2.08],1,0.542,0.705,1.08,[0.44:1.72],0,0.232,0.393,1,1,0.449699293847479,0.531136703562343,0.72,[0.08:1.36],1,0.328,0.453,2.74,[2.12:3.36],1,0.434,0.519,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,77.7576,0.534,1.609420652,0.919710667,3.53402610605613,1.931218512,0.932527188
O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC(C)(C)CC,"hydrindane,,Custom_25",8699,"hydrindane,,Custom_25",1,1,0.259,0.533,1,1,0.411,0.513,1,1,0.235,0.514,1,1,0.527,0.686,1,1,0.445,0.622,1,1,0.427,0.553,0,1,3,5,3421,[1900:6100],1,0.436,0.593,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,530.411,442.751,87.66,0,0,972.654,1,2,0,0.0037707,0.8950718,29.561,8.275,12.444,3.924,4.443,-4.383,-4.026,-1.422,370.013,-0.467,214.823,-2.655,0,0,1,0.512,3,100,0,0,46.309,2,0,0,9,0,9,9,20,0.025716573198993,0.06,[0.01:0.13],1,0.337,0.669,19.62,[10.12:38.66],1,0.226,0.504,-4.8,[-5.14:-4.46],1,0.241,0.509,-10.82,[-10.96:-10.64],0,0.258,0.638,1.84,[1.6:2.08],1,0.619,0.738,0.81,[0.3:1.34],0,0.239,0.463,1,1,0.464415920419734,0.53849501684847,0.43,[0.04:0.84],1,0.353,0.54,2.72,[2.09:3.35],1,0.43,0.513,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,79.187,0.534,1.609420652,0.919710667,3.53415307418506,1.931218512,0.932527188
O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCC(C)(C)C,"hydrindane,,Custom_26",8700,"hydrindane,,Custom_26",0,1,0.176,0.523,1,1,0.371,0.493,1,1,0.238,0.515,1,1,0.529,0.648,0,1,0.435,0.632,1,1,0.444,0.621,0,1,3,5,3422,[1900:6100],1,0.42,0.587,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,552.15,464.49,87.66,0,0,1006.292,1,2,0,0.0036222,0.8795432,30.907,8.516,12.821,3.976,4.656,-4.78,-4.026,-1.674,370.013,-0.493,214.823,-2.655,0,0,1,0.603,3,100,0,0,46.309,2,0,0,9,0,9,9,20,0.0103062826408633,0.06,[0.01:0.13],1,0.32,0.657,19.65,[10.12:38.69],1,0.227,0.504,-4.8,[-5.13:-4.47],1,0.241,0.51,-10.82,[-10.96:-10.64],0,0.258,0.638,1.84,[1.61:2.07],1,0.633,0.744,0.81,[0.3:1.34],0,0.238,0.462,1,1,0.471947179018175,0.581465092321614,0.44,[0.04:0.85],1,0.379,0.55,2.72,[2.09:3.35],1,0.422,0.506,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,78.9012,0.534,1.609420652,0.919710667,3.53428000520508,1.931218512,0.932527188
O=C(O)CCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C,"hydrindane,Custom_43,Custom_1",8701,"hydrindane,Custom_43,Custom_1",0,1,0.361,0.573,1,1,0.425,0.564,1,1,0.406,0.615,0,1,0.489,0.727,0,1,0.459,0.684,0,1,0.387,0.647,0,1,4,5,5202,[2900:9300],1,0.489,0.602,2,0.5625,0,0,0,1,0,4,0,-1,224.342,0,470.421,362.264,108.157,0,0,822.083,1,2,0,0.0042515,0.9021703,24.177,7.038,10.763,4.139,3.34,-3.457,-2.879,-1.307,236.51,-0.564,132.432,-3.129,0,0,1,0.138,3,88.991,0,0,50.947,2,0,0,9,0,9,9,16,0.0582720291213027,0.02,[0.01:0.03],1,0.351,0.756,7,[0.01:51.92],1,0.267,0.334,-4.67,[-4.9:-4.44],1,0.262,0.579,-10.88,[-11.02:-10.74],1,0.387,0.719,1.87,[1.53:2.21],1,0.39,0.619,0.71,[0.3:1.12],0,0.238,0.519,1,1,0.489605690957658,0.551089902117432,-0.31,[-0.64:0.02],1,0.314,0.581,2.65,[2.17:3.21],1,0.527,0.571,224.177630008,40,16,14,2,0,0,2,0,0.928571428571429,4,2,1,1,37.3,58.7482,0.652,1.574918909,0.917826007,3.71617034785985,1.926491984,0.924638525
O=C(O)CCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC,"hydrindane,Custom_43,Custom_3",8702,"hydrindane,Custom_43,Custom_3",0,1,0.342,0.568,1,1,0.419,0.56,1,1,0.402,0.636,0,1,0.451,0.72,0,1,0.467,0.639,0,1,0.423,0.586,0,1,4,5,6284,[3500:11000],1,0.417,0.678,2,0.52941176,1,0,0,1,0,5,0,-1,238.369,0,497.056,388.831,108.225,0,0,873.899,1,2,0,0.0040237,0.889338,25.609,7.458,11.177,3.983,3.668,-3.776,-3.164,-1.515,236.157,-0.65,132.218,-3.034,0,0,1,0.236,3,90.896,0,0,50.881,2,0,0,9,0,9,9,17,0.0369305644756269,0.03,[0.02:0.04],1,0.352,0.762,6.17,[0.01:27.97],1,0.258,0.386,-4.79,[-5.12:-4.46],1,0.252,0.52,-10.79,[-10.96:-10.62],1,0.355,0.682,1.89,[1.54:2.24],1,0.399,0.62,0.71,[0.3:1.13],0,0.227,0.514,1,1,0.488941985545436,0.550758049411322,0.11,[-0.21:0.43],1,0.34,0.568,3.31,[2.52:4.1],1,0.469,0.491,238.193280072,43,17,15,2,0,0,2,0,0.933333333333333,5,2,1,1,37.3,61.826,0.652,1.568343624,0.914081282,3.79823617636794,1.928734681,0.924826502
O=C(O)CCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCC,"hydrindane,Custom_43,Custom_4",8703,"hydrindane,Custom_43,Custom_4",0,1,0.29,0.595,1,1,0.412,0.556,1,1,0.352,0.605,0,1,0.453,0.639,0,1,0.444,0.66,1,1,0.39,0.528,0,1,3,5,3523,[2000:6300],1,0.68,0.832,2,0.5,1,0,0,1,0,6,0,-1,252.396,0,527.128,419.067,108.061,0,0,930.863,1,2,0,0.0037941,0.8746614,27.247,7.926,11.643,3.834,4.03,-4.16,-3.45,-1.753,237.007,-0.74,132.733,-2.935,0,0,1,0.349,3,93.047,0,0,50.939,2,0,0,9,0,9,9,18,0.020284126290662,0.02,[0.01:0.03],1,0.348,0.746,19.58,[10.12:38.97],1,0.254,0.511,-4.8,[-5.13:-4.47],1,0.244,0.512,-10.82,[-10.97:-10.65],1,0.329,0.678,1.81,[1.54:2.08],1,0.421,0.657,0.88,[0.42:1.34],0,0.224,0.493,1,1,0.480764462797651,0.585873734211352,0.12,[-0.2:0.44],1,0.346,0.566,3.63,[3.05:4.14],1,0.42,0.529,252.208930136,46,18,16,2,0,0,2,0,0.9375,6,2,1,1,37.3,66.2778,0.652,1.65465485,0.920814116,3.54691264318124,1.974165103,0.935447087
O=C(O)CCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)C,"hydrindane,Custom_43,Custom_5",8704,"hydrindane,Custom_43,Custom_5",0,1,0.33,0.571,1,1,0.412,0.555,1,1,0.354,0.606,0,1,0.444,0.617,0,1,0.47,0.639,0,1,0.434,0.595,0,1,3,5,3207,[1800:5700],1,0.424,0.599,2,0.5,0,0,0,1,0,5,0,-1,252.396,0,511.259,403.103,108.157,0,0,910.528,1,2,0,0.0039119,0.8886262,27.075,7.804,11.74,4.017,3.902,-4.034,-3.45,-1.527,236.51,-0.651,132.432,-3.033,0,0,1,0.338,3,92.281,0,0,50.947,2,0,0,9,0,9,9,18,0.0216522159705044,0.02,[0.01:0.03],1,0.346,0.744,19.59,[10.12:38.95],1,0.251,0.51,-4.8,[-5.13:-4.47],1,0.243,0.514,-10.82,[-10.97:-10.65],1,0.312,0.671,1.81,[1.54:2.08],1,0.465,0.672,0.86,[0.38:1.34],0,0.219,0.483,1,1,0.494076620335829,0.592529812980441,0.13,[-0.19:0.45],1,0.351,0.567,3.57,[3.02:4.12],1,0.443,0.532,252.208930136,46,18,16,2,0,0,2,0,0.9375,5,2,1,1,37.3,67.2835,0.613,1.65465485,0.920814116,3.50609895992844,1.974165103,0.935447087
O=C(O)CCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCC,"hydrindane,Custom_43,Custom_6",8705,"hydrindane,Custom_43,Custom_6",0,1,0.286,0.631,1,1,0.405,0.551,1,1,0.285,0.537,1,1,0.536,0.591,0,1,0.447,0.651,1,1,0.411,0.535,0,1,3,5,4161,[2300:7400],1,0.421,0.467,2,0.47368421,1,0,0,1,0,7,0,-1,266.423,0,547.647,454.342,93.305,0,0,979.864,1,2,0,0.003652,0.8711806,28.565,8.273,11.854,3.562,4.446,-4.372,-3.738,-1.809,327.103,-0.678,188.027,-2.567,0,0,1,0.443,3,100,0,0,47.57,2,0,0,9,0,9,9,19,0.0306730315969855,0.02,[0:0.04],1,0.358,0.756,19.57,[10.12:38.71],1,0.247,0.51,-4.81,[-5.15:-4.47],1,0.235,0.506,-10.82,[-10.97:-10.65],1,0.309,0.67,1.81,[1.55:2.07],1,0.41,0.661,0.88,[0.41:1.35],0,0.219,0.491,1,1,0.473190047769294,0.582086526697173,0.19,[-0.13:0.51],1,0.348,0.569,3.26,[2.29:4.2],1,0.424,0.388,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,7,2,1,1,37.3,69.1894,0.652,1.624709484,0.918686155,3.61919771579295,1.949404529,0.934024125
O=C(O)CCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)CC,"hydrindane,Custom_43,Custom_7",8706,"hydrindane,Custom_43,Custom_7",0,1,0.348,0.593,1,1,0.365,0.531,1,1,0.617,0.684,1,1,0.528,0.583,0,1,0.483,0.627,1,1,0.398,0.578,0,1,3,5,3893,[2200:6900],1,0.458,0.702,2,0.47368421,1,0,0,1,0,6,0,-1,266.423,0,535.052,426.896,108.157,0,0,960.244,1,2,0,0.003738,0.8797445,28.422,8.23,12.154,3.854,4.219,-4.304,-3.738,-1.67,236.51,-0.73,132.432,-2.937,0,0,1,0.432,3,94.135,0,0,50.947,2,0,0,9,0,9,9,19,0.0152867846783244,0.03,[0.02:0.04],1,0.358,0.75,19.57,[10.12:38.7],1,0.243,0.509,-4.81,[-5.14:-4.48],1,0.233,0.507,-10.82,[-10.97:-10.65],1,0.293,0.663,1.81,[1.55:2.07],1,0.426,0.667,0.86,[0.38:1.34],0,0.216,0.482,1,1,0.482990471258567,0.58698673844181,0.43,[0.04:0.85],1,0.347,0.537,2.97,[2.12:3.82],1,0.431,0.447,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,6,2,1,1,37.3,70.3613,0.613,1.624709484,0.918686155,3.59028440371816,1.949404529,0.934024125
O=C(O)CCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC(C)C,"hydrindane,Custom_43,Custom_8",8707,"hydrindane,Custom_43,Custom_8",0,1,0.277,0.625,1,1,0.445,0.571,1,1,0.319,0.536,0,1,0.494,0.619,0,1,0.483,0.648,1,1,0.392,0.535,0,1,4,5,6232,[3500:11000],1,0.507,0.714,2,0.47368421,1,0,0,1,0,6,0,-1,266.423,0,548.949,440.792,108.157,0,0,976.651,1,2,0,0.0036433,0.8672137,29.079,8.331,12.284,3.887,4.322,-4.558,-3.738,-1.873,236.51,-0.757,132.432,-2.937,0,0,1,0.476,3,94.737,0,0,50.947,2,0,0,9,0,9,9,19,0.00851994615342754,0.02,[0.01:0.03],1,0.34,0.742,19.58,[10.12:38.71],1,0.246,0.51,-4.81,[-5.15:-4.47],1,0.236,0.506,-10.82,[-10.97:-10.65],1,0.293,0.663,1.82,[1.56:2.08],1,0.488,0.682,0.86,[0.38:1.34],0,0.22,0.483,1,1,0.487495098025043,0.589239051825048,0.19,[-0.12:0.5],1,0.346,0.568,2.98,[2.12:3.84],1,0.421,0.44,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,6,2,1,1,37.3,72.1489,0.613,1.624709484,0.918686155,3.79462744466451,1.949404529,0.934024125
O=C(O)CCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)(C)C,"hydrindane,Custom_43,Custom_9",8708,"hydrindane,Custom_43,Custom_9",1,1,0.262,0.494,1,1,0.419,0.517,1,1,0.237,0.516,0,1,0.524,0.647,0,1,0.422,0.627,0,1,0.398,0.628,0,1,3,5,3681,[2100:6500],1,0.454,0.598,2,0.47368421,0,0,0,1,0,5,0,-1,266.423,0,543.085,434.929,108.156,0,0,975.916,1,2,0,0.0036827,0.8761378,29.692,8.361,12.643,4.093,4.319,-4.614,-3.738,-1.729,236.516,-0.677,132.436,-3.033,0,0,1,0.518,3,94.719,0,0,50.946,2,0,0,9,0,9,9,19,0.00600945649088206,0.02,[0.01:0.03],1,0.331,0.735,19.65,[10.12:38.73],1,0.237,0.507,-4.81,[-5.14:-4.48],1,0.232,0.507,-10.82,[-10.96:-10.65],1,0.274,0.645,1.83,[1.58:2.08],1,0.576,0.717,0.86,[0.38:1.34],0,0.213,0.481,1,1,0.473769374951676,0.582376190288365,0.43,[0.04:0.85],1,0.353,0.539,3.24,[2.53:3.95],1,0.431,0.515,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,5,2,1,1,37.3,72.1425,0.573,1.624709484,0.918686155,3.56596581744667,1.949404529,0.934024125
O=C(O)CCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCCC,"hydrindane,Custom_43,Custom_10",8709,"hydrindane,Custom_43,Custom_10",0,1,0.32,0.649,1,1,0.439,0.568,1,1,0.317,0.549,0,1,0.541,0.613,0,1,0.45,0.651,1,1,0.413,0.53,0,1,3,5,4417,[2500:7900],1,0.518,0.471,2,0.45,1,0,0,1,0,8,0,-1,280.45,0,591.812,483.588,108.224,0,0,1049.082,1,2,0,0.0033795,0.8436985,30.693,8.949,12.603,3.549,4.782,-5.019,-4.026,-2.254,236.162,-0.932,132.221,-2.746,0,0,1,0.589,3,100,0,0,50.881,2,0,0,9,0,9,9,20,0.00482180905031507,0.02,[0:0.04],1,0.365,0.758,19.68,[10.12:38.64],1,0.238,0.509,-4.92,[-5.28:-4.56],1,0.224,0.489,-10.82,[-10.97:-10.65],1,0.292,0.662,1.82,[1.56:2.08],1,0.385,0.654,1.08,[0.56:1.6],0,0.215,0.433,1,1,0.465550715406777,0.578266860515915,0.15,[-0.24:0.54],1,0.347,0.543,3.14,[2.24:4.04],1,0.437,0.408,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,8,2,1,1,37.3,72.101,0.652,1.609420652,0.919710667,3.64512739925839,1.931218512,0.932527188
O=C(O)CCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)CCC,"hydrindane,Custom_43,Custom_11",8710,"hydrindane,Custom_43,Custom_11",0,1,0.312,0.609,1,1,0.399,0.547,1,1,0.649,0.735,1,1,0.576,0.559,1,1,0.487,0.64,1,1,0.407,0.573,0,1,3,5,3595,[2000:6400],1,0.511,0.476,2,0.45,1,0,0,1,0,7,0,-1,280.45,0,565.655,457.499,108.157,0,0,1018.82,1,2,0,0.0035357,0.8656551,30.124,8.724,12.649,3.707,4.592,-4.701,-4.026,-1.898,236.51,-0.821,132.432,-2.841,0,0,1,0.551,3,96.32,0,0,50.947,2,0,0,9,0,9,9,20,0.00804817869150993,0.02,[0:0.04],1,0.352,0.752,19.66,[10.12:38.62],1,0.235,0.508,-4.92,[-5.28:-4.56],1,0.225,0.49,-10.82,[-10.96:-10.65],1,0.278,0.646,1.82,[1.57:2.07],1,0.439,0.673,0.86,[0.38:1.34],0,0.213,0.481,1,1,0.473058695165879,0.582020850395466,0.43,[0.04:0.84],1,0.342,0.537,2.87,[2.06:3.68],1,0.437,0.44,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,74.8131,0.613,1.609420652,0.919710667,3.5556988947189,1.931218512,0.932527188
O=C(O)CCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@H](C)CC,"hydrindane,Custom_43,Custom_12",8711,"hydrindane,Custom_43,Custom_12",0,1,0.319,0.648,1,1,0.439,0.567,1,1,0.648,0.749,1,1,0.533,0.581,0,1,0.448,0.641,1,1,0.413,0.554,0,1,3,5,3596,[2000:6400],1,0.458,0.463,2,0.45,1,0,0,1,0,7,0,-1,280.45,0,570.821,462.448,108.373,0,0,1025.236,1,2,0,0.0035037,0.8614182,30.381,8.772,12.708,3.72,4.631,-4.796,-4.026,-1.967,235.395,-0.832,131.757,-2.845,0,0,1,0.568,3,96.511,0,0,50.857,2,0,0,9,0,9,9,20,0.00641221855268767,0.02,[0:0.04],1,0.354,0.753,19.69,[10.12:38.65],1,0.236,0.508,-4.92,[-5.28:-4.56],1,0.226,0.49,-10.82,[-10.96:-10.65],1,0.278,0.646,1.82,[1.57:2.07],1,0.425,0.668,0.86,[0.38:1.34],0,0.216,0.482,1,1,0.478310590071304,0.584646797848178,0.42,[0.04:0.83],1,0.343,0.537,3.09,[2.2:3.98],1,0.436,0.41,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,75.2267,0.613,1.609420652,0.919710667,3.55581968306119,1.931218512,0.932527188
O=C(O)CCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCC(C)C,"hydrindane,Custom_43,Custom_13",8712,"hydrindane,Custom_43,Custom_13",0,1,0.284,0.629,1,1,0.439,0.567,1,1,0.314,0.549,1,1,0.536,0.587,0,1,0.441,0.637,1,1,0.423,0.517,0,1,3,5,3596,[2000:6400],1,0.457,0.463,2,0.45,1,0,0,1,0,7,0,-1,280.45,0,576.569,468.413,108.156,0,0,1034.393,1,2,0,0.0034688,0.8579018,30.748,8.846,12.81,3.733,4.691,-4.902,-4.026,-2.024,236.516,-0.838,132.436,-2.841,0,0,1,0.593,3,96.898,0,0,50.946,2,0,0,9,0,9,9,20,0.00507684616335438,0.03,[0.02:0.04],1,0.325,0.741,19.71,[10.12:38.67],1,0.236,0.508,-4.91,[-5.27:-4.55],1,0.226,0.49,-10.82,[-10.96:-10.65],1,0.278,0.646,1.83,[1.58:2.08],1,0.512,0.694,0.86,[0.38:1.34],0,0.216,0.482,1,1,0.481818985355275,0.586400995490164,0.43,[0.04:0.84],1,0.348,0.539,3.1,[2.21:3.99],1,0.434,0.408,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,76.1871,0.613,1.609420652,0.919710667,3.55581968306119,1.931218512,0.932527188
O=C(O)CCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)C(C)C,"hydrindane,Custom_43,Custom_14",8713,"hydrindane,Custom_43,Custom_14",0,1,0.338,0.592,1,1,0.398,0.547,1,1,0.611,0.693,1,1,0.567,0.555,1,1,0.445,0.612,1,1,0.404,0.58,0,1,4,5,6389,[3600:11000],1,0.448,0.698,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,554.659,446.503,108.157,0,0,1014.098,1,2,0,0.0036058,0.8800866,30.578,8.735,13.005,3.901,4.564,-4.663,-4.026,-1.665,236.51,-0.729,132.432,-2.937,0,0,1,0.583,3,96.158,0,0,50.947,2,0,0,9,0,9,9,20,0.00705105539853472,0.03,[0.02:0.04],1,0.344,0.745,19.7,[10.12:38.66],1,0.231,0.507,-4.91,[-5.27:-4.55],1,0.224,0.489,-10.82,[-10.96:-10.65],1,0.27,0.643,1.82,[1.56:2.08],1,0.49,0.685,0.86,[0.38:1.34],0,0.214,0.481,1,1,0.475325913907184,0.583154459766118,0.43,[0.04:0.84],1,0.332,0.533,2.83,[2.05:3.61],1,0.436,0.452,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,75.8188,0.574,1.609420652,0.919710667,3.80543288813214,1.931218512,0.932527188
O=C(O)CCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC(C)(C)C,"hydrindane,Custom_43,Custom_15",8714,"hydrindane,Custom_43,Custom_15",0,1,0.241,0.601,1,1,0.411,0.513,1,1,0.228,0.519,1,1,0.872,0.811,0,1,0.766,0.794,1,1,0.465,0.625,0,1,4,5,6987,[3900:12000],1,0.517,0.742,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,558.852,450.695,108.157,0,0,1007.632,1,2,0,0.0035788,0.8697672,30.319,8.634,12.796,3.911,4.521,-4.74,-4.026,-1.832,236.51,-0.751,132.432,-2.937,0,0,1,0.563,3,95.904,0,0,50.947,2,0,0,9,0,9,9,20,0.00590896045336805,0.06,[0.01:0.13],1,0.312,0.659,30.15,[10.5:77.68],1,0.229,0.441,-4.92,[-5.28:-4.56],1,0.225,0.488,-10.82,[-10.96:-10.64],0,0.261,0.639,1.84,[1.6:2.08],1,0.574,0.72,0.86,[0.38:1.34],0,0.218,0.482,1,1,0.474876470106522,0.582929737865787,0.42,[0.04:0.83],1,0.346,0.537,2.86,[2.06:3.66],1,0.419,0.439,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,76.8971,0.573,1.609420652,0.919710667,3.84429074325434,1.931218512,0.932527188
O=C(O)CCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)(C)CC,"hydrindane,Custom_43,Custom_16",8715,"hydrindane,Custom_43,Custom_16",1,1,0.268,0.441,1,1,0.411,0.513,1,1,0.27,0.531,0,1,0.779,0.799,1,1,0.432,0.614,1,1,0.406,0.643,0,1,4,5,6986,[3900:12000],1,0.453,0.727,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,540.993,432.836,108.157,0,0,985.203,1,2,0,0.0036969,0.8850971,29.421,8.488,12.6,3.868,4.38,-4.413,-4.026,-1.584,236.51,-0.719,132.432,-2.937,0,0,1,0.503,3,95.078,0,0,50.947,2,0,0,9,0,9,9,20,0.0125353100366727,0.03,[0.02:0.04],1,0.333,0.738,30.24,[10.5:77.94],1,0.226,0.439,-4.91,[-5.27:-4.55],1,0.22,0.488,-10.82,[-10.96:-10.64],0,0.261,0.639,1.83,[1.58:2.08],1,0.529,0.701,1.08,[0.56:1.6],0,0.211,0.431,1,1,0.464571487088137,0.577777246356595,0.43,[0.04:0.85],1,0.325,0.531,2.84,[2.07:3.61],1,0.433,0.453,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,76.9909,0.573,1.609420652,0.919710667,3.84422858130163,1.931218512,0.932527188
O=C(O)CCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCCCC,"hydrindane,Custom_43,Custom_17",8716,"hydrindane,Custom_43,Custom_17",0,1,0.313,0.645,1,1,0.434,0.564,1,1,0.35,0.588,0,1,0.54,0.625,0,1,0.491,0.639,1,1,0.416,0.52,0,1,3,5,3666,[2100:6500],1,0.427,0.454,2,0.42857143,1,0,0,1,0,9,0,-2,294.476,0,620.731,514.598,106.132,0,0,1103.914,1,2,0,0.003222,0.8321829,32.246,9.437,13.01,3.384,5.147,-5.388,-4.316,-2.44,247.199,-1.001,138.913,-2.611,0,0,1,0.699,3,86.956,0,0,50.165,2,1,0,9,0,9,9,21,0.00294785256863062,0.02,[0:0.04],1,0.373,0.761,30.24,[10.5:77.77],1,0.228,0.441,-4.93,[-5.29:-4.57],1,0.214,0.485,-10.82,[-10.96:-10.65],1,0.278,0.646,1.82,[1.56:2.08],1,0.354,0.643,1.08,[0.56:1.6],0,0.214,0.432,1,1,0.457715977134278,0.574349491379665,0.15,[-0.24:0.54],1,0.328,0.537,3.53,[2.33:4.73],1,0.42,0.333,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,9,2,1,1,37.3,75.0126,0.652,1.609420652,0.919710667,3.5641924606262,1.931218512,0.932527188
O=C(O)CCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)CCCC,"hydrindane,Custom_43,Custom_18",8717,"hydrindane,Custom_43,Custom_18",0,1,0.305,0.642,1,1,0.433,0.564,1,1,0.348,0.589,1,1,0.58,0.561,0,1,0.485,0.62,1,1,0.417,0.561,0,1,3,5,4393,[2500:7800],1,0.438,0.459,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,597.252,489.095,108.157,0,0,1077.221,1,2,0,0.0033487,0.8508975,31.82,9.231,13.125,3.562,4.965,-5.119,-4.316,-2.137,236.51,-0.915,132.432,-2.745,0,0,1,0.67,3,100,0,0,50.947,2,0,0,9,0,9,9,21,0.00403311014333416,0.03,[0.02:0.04],1,0.353,0.757,30.25,[10.5:77.87],1,0.225,0.439,-4.93,[-5.29:-4.57],1,0.216,0.486,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.398,0.659,1.08,[0.56:1.6],0,0.21,0.431,1,1,0.464704664505867,0.57784383506546,0.44,[0.04:0.85],1,0.325,0.532,3.43,[2.23:4.63],1,0.428,0.337,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,77.7247,0.613,1.609420652,0.919710667,3.64276120326532,1.931218512,0.932527188
O=C(O)CCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@@H](C)CCC,"hydrindane,Custom_43,Custom_19",8718,"hydrindane,Custom_43,Custom_19",0,1,0.312,0.644,1,1,0.433,0.564,1,1,0.342,0.598,1,1,0.88,0.732,1,1,0.487,0.639,1,1,0.407,0.576,0,1,3,5,4394,[2500:7800],1,0.494,0.473,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,598.551,490.327,108.224,0,0,1084.149,1,2,0,0.0033414,0.852688,32.097,9.3,13.255,3.566,5.009,-5.143,-4.316,-2.108,236.165,-0.911,132.224,-2.746,0,0,1,0.69,3,85.792,0,0,50.88,2,1,0,9,0,9,9,21,0.00380654234820674,0.03,[0.02:0.04],1,0.345,0.754,30.24,[10.5:77.79],1,0.226,0.44,-4.93,[-5.29:-4.57],1,0.216,0.486,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.419,0.667,0.86,[0.38:1.34],0,0.212,0.48,1,1,0.468636285581536,0.579809645603294,0.31,[-0.23:0.85],1,0.329,0.502,3.43,[2.23:4.63],1,0.428,0.336,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,79.6785,0.613,1.609420652,0.919710667,3.64286005258449,1.931218512,0.932527188
O=C(O)CCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC[C@H](C)CC,"hydrindane,Custom_43,Custom_20",8719,"hydrindane,Custom_43,Custom_20",0,1,0.309,0.644,1,1,0.433,0.564,1,1,0.347,0.615,1,1,0.535,0.581,0,1,0.444,0.638,1,1,0.42,0.556,0,1,3,5,4394,[2500:7800],1,0.439,0.459,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,601.017,492.86,108.157,0,0,1083.435,1,2,0,0.0033277,0.8488159,32.068,9.285,13.198,3.571,5.004,-5.188,-4.316,-2.171,236.51,-0.919,132.432,-2.745,0,0,1,0.687,3,85.776,0,0,50.947,2,1,0,9,0,9,9,21,0.00343867696645155,0.03,[0.02:0.04],1,0.337,0.752,30.32,[10.5:77.9],1,0.225,0.44,-4.93,[-5.29:-4.57],1,0.215,0.486,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.43,0.671,1.08,[0.56:1.6],0,0.212,0.432,1,1,0.472984220843596,0.581983613234325,0.31,[-0.23:0.85],1,0.329,0.502,3.43,[2.23:4.63],1,0.429,0.336,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,79.2649,0.613,1.609420652,0.919710667,3.64286005258449,1.931218512,0.932527188
O=C(O)CCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCC(C)C,"hydrindane,Custom_43,Custom_21",8720,"hydrindane,Custom_43,Custom_21",0,1,0.276,0.626,1,1,0.433,0.564,1,1,0.346,0.587,1,1,0.584,0.589,0,1,0.485,0.636,1,1,0.412,0.579,0,1,3,5,4395,[2500:7800],1,0.446,0.461,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,609.181,500.957,108.224,0,0,1092.253,1,2,0,0.0032831,0.8419778,32.421,9.355,13.258,3.591,5.059,-5.338,-4.316,-2.281,236.162,-0.936,132.221,-2.746,0,0,1,0.711,3,86.087,0,0,50.881,2,1,0,9,0,9,9,21,0.00242602309879315,0.06,[0.01:0.13],1,0.326,0.675,30.28,[10.5:77.81],1,0.226,0.44,-4.93,[-5.29:-4.57],1,0.215,0.486,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.452,0.68,1.08,[0.56:1.6],0,0.211,0.431,1,1,0.474441811214012,0.582712408419532,0.15,[-0.24:0.54],1,0.334,0.539,3.44,[2.24:4.64],1,0.427,0.334,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,79.0987,0.613,1.609420652,0.919710667,3.64295887940979,1.931218512,0.932527188
O=C(O)CCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)[C@@H](C)CC,"hydrindane,Custom_43,Custom_22",8721,"hydrindane,Custom_43,Custom_22",0,1,0.578,0.747,1,1,0.353,0.523,1,1,0.343,0.583,1,1,0.527,0.539,1,1,0.447,0.613,1,1,0.405,0.586,0,1,3,5,3631,[2000:6500],1,0.41,0.46,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,616.805,508.648,108.157,0,0,1092.127,1,2,0,0.0032425,0.8315078,33.058,9.338,13.409,3.83,5.057,-5.641,-4.316,-2.451,236.51,-0.901,132.432,-2.841,0,0,1,0.751,3,86.086,0,0,50.947,2,1,0,9,0,9,9,21,0.000970340717719557,0.03,[0.02:0.04],1,0.352,0.756,16.26,[3:36.18],1,0.222,0.461,-4.93,[-5.29:-4.57],1,0.216,0.486,-10.82,[-10.96:-10.64],0,0.257,0.638,1.82,[1.57:2.07],1,0.415,0.665,1.05,[0.51:1.59],0,0.211,0.421,1,1,0.463854743719077,0.577418874672065,0.43,[0.04:0.84],1,0.305,0.525,3.26,[2.17:4.35],1,0.428,0.357,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,78.8966,0.574,1.609420652,0.919710667,3.56002624891289,1.931218512,0.932527188
O=C(O)CCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@@H](C)C(C)C,"hydrindane,Custom_43,Custom_23",8722,"hydrindane,Custom_43,Custom_23",0,1,0.307,0.643,1,1,0.433,0.563,1,1,0.347,0.588,1,1,0.567,0.572,0,1,0.442,0.638,1,1,0.421,0.557,0,1,3,5,3632,[2000:6500],1,0.501,0.481,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,583.727,475.571,108.156,0,0,1065.006,1,2,0,0.0034263,0.8640197,31.973,9.151,13.359,3.75,4.888,-5.033,-4.316,-1.925,236.516,-0.824,132.436,-2.841,0,0,1,0.68,3,100,0,0,50.946,2,0,0,9,0,9,9,21,0.00393916397413333,0.06,[0.01:0.13],1,0.332,0.676,16.31,[3:36.23],1,0.223,0.461,-4.92,[-5.28:-4.56],1,0.217,0.487,-10.82,[-10.96:-10.64],0,0.257,0.638,1.82,[1.57:2.07],1,0.461,0.683,0.86,[0.38:1.34],0,0.214,0.481,1,1,0.47487668015929,0.582929842892171,0.43,[0.04:0.84],1,0.322,0.531,3.26,[2.17:4.35],1,0.428,0.355,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,80.6842,0.574,1.609420652,0.919710667,3.56014583984905,1.931218512,0.932527188
O=C(O)CCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)(C)CCC,"hydrindane,Custom_43,Custom_24",8723,"hydrindane,Custom_43,Custom_24",1,1,0.295,0.539,1,1,0.444,0.53,1,1,0.264,0.528,1,1,0.442,0.681,1,1,0.477,0.644,1,1,0.407,0.626,0,1,3,5,3576,[2000:6400],1,0.493,0.716,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,572.627,464.47,108.157,0,0,1043.676,1,2,0,0.0034927,0.8689677,31.119,8.968,13.076,3.723,4.752,-4.829,-4.316,-1.845,236.51,-0.813,132.432,-2.841,0,0,1,0.621,3,100,0,0,50.947,2,0,0,9,0,9,9,21,0.00629628227161725,0.06,[0.01:0.13],1,0.338,0.676,16.16,[3:36.08],1,0.217,0.459,-4.93,[-5.29:-4.57],1,0.214,0.485,-10.82,[-10.96:-10.64],0,0.249,0.635,1.82,[1.57:2.07],1,0.452,0.68,1.06,[0.52:1.6],0,0.209,0.419,1,1,0.450948140297572,0.531761126787389,0.44,[0.04:0.85],1,0.308,0.526,3.27,[2.18:4.36],1,0.419,0.355,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,80.3161,0.573,1.609420652,0.919710667,3.55339751012388,1.931218512,0.932527188
O=C(O)CCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC(C)(C)CC,"hydrindane,Custom_43,Custom_25",8724,"hydrindane,Custom_43,Custom_25",1,1,0.25,0.559,1,1,0.444,0.536,1,1,0.263,0.527,1,1,0.527,0.579,0,1,0.441,0.637,1,1,0.412,0.588,0,1,3,5,3575,[2000:6400],1,0.491,0.717,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,577.009,468.853,108.157,0,0,1047.745,1,2,0,0.0034661,0.8646082,31.282,8.992,13.093,3.734,4.778,-4.91,-4.316,-1.915,236.51,-0.823,132.432,-2.841,0,0,1,0.632,3,100,0,0,50.947,2,0,0,9,0,9,9,21,0.00523224417106553,0.12,[0.01:0.25],1,0.319,0.571,16.25,[3:36.17],1,0.219,0.46,-4.93,[-5.29:-4.57],1,0.215,0.486,-10.82,[-10.96:-10.64],0,0.249,0.635,1.95,[1.77:2.13],1,0.492,0.716,0.86,[0.38:1.34],0,0.215,0.481,1,1,0.466608212051804,0.578795608838428,0.43,[0.04:0.84],1,0.322,0.531,3.27,[2.18:4.36],1,0.421,0.354,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,81.7455,0.573,1.609420652,0.919710667,3.5532760461371,1.931218512,0.932527188
O=C(O)CCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCC(C)(C)C,"hydrindane,Custom_43,Custom_26",8725,"hydrindane,Custom_43,Custom_26",0,1,0.206,0.54,1,1,0.404,0.51,1,1,0.267,0.528,1,1,0.534,0.581,1,1,0.468,0.63,1,1,0.42,0.522,0,1,3,5,3575,[2000:6400],1,0.608,0.743,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,597.46,489.235,108.225,0,0,1078.742,1,2,0,0.0033475,0.8514019,32.523,9.247,13.435,3.784,4.974,-5.285,-4.316,-2.129,236.157,-0.854,132.218,-2.842,0,0,1,0.717,3,100,0,0,50.881,2,0,0,9,0,9,9,21,0.00219657328775974,0.12,[0.01:0.25],1,0.304,0.565,16.28,[3:36.2],1,0.22,0.46,-4.93,[-5.29:-4.57],1,0.215,0.486,-10.82,[-10.96:-10.64],0,0.249,0.635,1.83,[1.58:2.08],1,0.503,0.693,1.08,[0.56:1.6],0,0.214,0.432,1,1,0.475288199211434,0.583135602418243,0.15,[-0.24:0.54],1,0.338,0.541,3.28,[2.18:4.38],1,0.417,0.351,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,81.4597,0.573,1.609420652,0.919710667,3.5532760461371,1.931218512,0.932527188
O=C(O)C[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C,"hydrindane,Custom_44,Custom_1",8726,"hydrindane,Custom_44,Custom_1",0,1,0.365,0.577,1,1,0.424,0.563,1,1,0.398,0.611,0,1,0.827,0.865,0,1,0.442,0.668,0,1,0.416,0.684,0,1,4,5,8892,[5000:16000],1,0.493,0.629,2,0.5625,0,0,0,1,0,3,0,-1,224.342,0,448.335,350.145,98.19,0,0,798.981,1,2,0,0.0044609,0.9287945,23.895,6.941,10.737,4.239,3.268,-3.222,-2.879,-0.877,294.011,-0.376,167.553,-3.041,0,0,1,0.123,3,90.258,0,0,47.983,2,0,0,9,0,9,9,16,0.122440874571767,0.02,[0.01:0.03],1,0.352,0.749,1.68,[0.01:23.52],1,0.275,0.362,-4.67,[-4.9:-4.44],1,0.271,0.582,-10.88,[-11.02:-10.74],1,0.369,0.712,1.91,[1.55:2.27],1,0.391,0.61,0.71,[0.3:1.13],0,0.244,0.519,1,1,0.48406576814176,0.587524386883406,-0.1,[-0.33:0.13],1,0.342,0.602,2.96,[2.31:3.62],1,0.502,0.539,224.177630008,40,16,14,2,0,0,2,0,0.928571428571429,3,2,1,1,37.3,59.9201,0.613,1.574918909,0.917826007,3.94899945402695,1.926491984,0.924638525
O=C(O)C[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC,"hydrindane,Custom_44,Custom_3",8727,"hydrindane,Custom_44,Custom_3",0,1,0.351,0.565,1,1,0.418,0.56,1,1,0.41,0.639,0,1,0.485,0.698,0,1,0.413,0.634,0,1,0.382,0.671,0,1,3,5,2907,[1600:5200],1,0.562,0.613,2,0.52941176,0,0,0,1,0,4,0,-1,238.369,0,476.296,378.469,97.826,0,0,852.523,1,2,0,0.0041991,0.9129056,25.396,7.33,11.16,4.083,3.608,-3.563,-3.164,-1.134,296.355,-0.46,168.997,-2.938,0,0,1,0.224,3,92.312,0,0,48.065,2,0,0,9,0,9,9,17,0.0751807062593743,0.02,[0.01:0.03],1,0.353,0.747,5.23,[0.01:25.42],1,0.265,0.411,-4.69,[-4.92:-4.46],1,0.261,0.587,-10.78,[-10.95:-10.61],1,0.336,0.674,1.88,[1.53:2.23],1,0.404,0.623,0.71,[0.3:1.13],0,0.233,0.514,1,1,0.487073391927962,0.589028198776507,0.19,[-0.23:0.65],1,0.356,0.533,3.37,[2.75:3.98],1,0.493,0.544,238.193280072,43,17,15,2,0,0,2,0,0.933333333333333,4,2,1,1,37.3,62.9979,0.613,1.568343624,0.914081282,3.46344503177043,1.928734681,0.924826502
O=C(O)C[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCC,"hydrindane,Custom_44,Custom_4",8728,"hydrindane,Custom_44,Custom_4",0,1,0.294,0.586,1,1,0.452,0.575,1,1,0.362,0.61,0,1,0.443,0.652,0,1,0.463,0.65,0,1,0.427,0.626,0,1,3,5,3223,[1800:5700],1,0.443,0.611,2,0.5,1,0,0,1,0,5,0,-1,252.396,0,497.017,414.929,82.088,0,0,894.142,1,2,0,0.004024,0.9030901,26.419,7.548,11.191,3.805,3.981,-3.775,-3.45,-1.293,417.885,-0.409,245.016,-2.552,0,0,1,0.295,3,100,0,0,42.809,2,0,0,9,0,9,9,18,0.118748559895765,0.02,[0.01:0.03],1,0.359,0.748,19.23,[10.12:38.59],1,0.258,0.512,-4.79,[-5.12:-4.46],1,0.251,0.516,-10.82,[-10.97:-10.65],1,0.313,0.671,1.81,[1.54:2.08],1,0.435,0.662,0.86,[0.38:1.34],0,0.23,0.485,1,1,0.481566408301749,0.586274706963401,0.39,[-0.04:0.84],1,0.36,0.529,3.57,[3.02:4.12],1,0.454,0.536,252.208930136,46,18,16,2,0,0,2,0,0.9375,5,2,1,1,37.3,67.4497,0.613,1.65465485,0.920814116,3.50826030551233,1.974165103,0.935447087
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O=C(O)C[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCCCC,"hydrindane,Custom_44,Custom_17",8741,"hydrindane,Custom_44,Custom_17",0,1,0.316,0.646,1,1,0.433,0.564,1,1,0.354,0.592,1,1,0.532,0.574,0,1,0.484,0.664,1,1,0.415,0.602,0,1,3,5,4363,[2500:7800],1,0.49,0.474,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,596.322,497.538,98.785,0,0,1076.208,1,2,0,0.0033539,0.8516896,31.779,9.157,12.965,3.496,5.023,-5.102,-4.316,-2.124,290.219,-0.827,165.218,-2.572,0,0,1,0.667,3,87.477,0,0,47.899,2,1,0,9,0,9,9,21,0.00624402096346382,0.03,[0.01:0.04],1,0.366,0.759,19.6,[10.12:38.46],1,0.227,0.505,-4.93,[-5.29:-4.57],1,0.219,0.487,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.56:2.08],1,0.368,0.648,1.06,[0.52:1.6],0,0.219,0.423,1,1,0.455588388370825,0.573285696997939,0.44,[0.04:0.85],1,0.336,0.537,3.43,[2.23:4.63],1,0.429,0.337,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,76.1845,0.613,1.609420652,0.919710667,3.63978521298682,1.931218512,0.932527188
O=C(O)C[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)CCCC,"hydrindane,Custom_44,Custom_18",8742,"hydrindane,Custom_44,Custom_18",0,1,0.305,0.604,1,1,0.433,0.563,1,1,0.352,0.592,1,1,0.531,0.582,0,1,0.483,0.671,1,1,0.419,0.644,0,1,3,5,3926,[2200:7000],1,0.489,0.696,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,574.173,475.983,98.19,0,0,1053.973,1,2,0,0.0034833,0.8723182,31.531,9.004,13.112,3.659,4.888,-4.858,-4.316,-1.791,294.011,-0.719,167.553,-2.657,0,0,1,0.651,3,100,0,0,47.983,2,0,0,9,0,9,9,21,0.0090033216557768,0.06,[0.01:0.13],1,0.353,0.685,16.2,[3:36.1],1,0.224,0.462,-4.93,[-5.29:-4.57],1,0.221,0.488,-10.82,[-10.96:-10.64],0,0.257,0.638,1.82,[1.57:2.07],1,0.415,0.665,1.06,[0.52:1.6],0,0.215,0.422,1,1,0.454233201691813,0.53340365748451,0.72,[0.09:1.35],1,0.319,0.453,3.25,[2.16:4.34],1,0.421,0.355,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,78.8966,0.574,1.609420652,0.919710667,3.59395029526399,1.931218512,0.932527188
O=C(O)C[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@@H](C)CCC,"hydrindane,Custom_44,Custom_19",8743,"hydrindane,Custom_44,Custom_19",0,1,0.271,0.623,1,1,0.433,0.563,1,1,0.348,0.589,1,1,0.83,0.764,0,1,0.517,0.66,1,1,0.741,0.749,0,1,3,5,3926,[2200:7000],1,0.429,0.682,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,578.693,479.908,98.785,0,0,1061.641,1,2,0,0.0034561,0.8696985,31.838,9.071,13.215,3.674,4.933,-4.94,-4.316,-1.833,290.219,-0.729,165.218,-2.668,0,0,1,0.672,3,100,0,0,47.899,2,0,0,9,0,9,9,21,0.00725304966606853,0.06,[0.01:0.13],1,0.347,0.681,29.76,[10.5:77.18],1,0.224,0.439,-4.93,[-5.29:-4.57],1,0.22,0.487,-10.82,[-10.96:-10.64],0,0.257,0.638,1.82,[1.57:2.07],1,0.437,0.674,1.06,[0.52:1.6],0,0.218,0.423,1,1,0.457642928358618,0.535108520817912,0.44,[0.04:0.85],1,0.33,0.535,3.25,[2.16:4.34],1,0.423,0.355,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,80.8504,0.574,1.609420652,0.919710667,3.59395029526399,1.931218512,0.932527188
O=C(O)C[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC[C@H](C)CC,"hydrindane,Custom_44,Custom_20",8744,"hydrindane,Custom_44,Custom_20",0,1,0.313,0.646,1,1,0.433,0.563,1,1,0.351,0.592,1,1,0.57,0.578,0,1,0.48,0.656,1,1,0.426,0.606,0,1,3,5,3926,[2200:7000],1,0.429,0.686,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,580.802,482.017,98.785,0,0,1060.975,1,2,0,0.0034435,0.8661783,31.812,9.054,13.166,3.679,4.928,-4.979,-4.316,-1.89,290.219,-0.736,165.218,-2.668,0,0,1,0.669,3,100,0,0,47.899,2,0,0,9,0,9,9,21,0.00663456865625813,0.06,[0.01:0.13],1,0.34,0.679,16.26,[3:36.16],1,0.225,0.463,-4.92,[-5.28:-4.56],1,0.219,0.488,-10.82,[-10.96:-10.64],0,0.257,0.638,1.82,[1.57:2.07],1,0.449,0.678,1.06,[0.52:1.6],0,0.217,0.423,1,1,0.463497956167812,0.538036034722509,0.44,[0.04:0.85],1,0.33,0.535,3.26,[2.17:4.35],1,0.426,0.356,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,80.4368,0.574,1.609420652,0.919710667,3.59395029526399,1.931218512,0.932527188
O=C(O)C[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCC(C)C,"hydrindane,Custom_44,Custom_21",8745,"hydrindane,Custom_44,Custom_21",0,1,0.276,0.625,1,1,0.433,0.563,1,1,0.349,0.59,1,1,0.573,0.558,0,1,0.475,0.659,1,1,0.404,0.593,0,1,3,5,3926,[2200:7000],1,0.43,0.691,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,587.162,490.468,96.693,0,0,1068.497,1,2,0,0.0034062,0.8608409,32.113,9.093,13.192,3.68,4.99,-5.096,-4.316,-1.976,303.78,-0.728,173.578,-2.629,0,0,1,0.689,3,100,0,0,47.569,2,0,0,9,0,9,9,21,0.00554075852161302,0.06,[0.01:0.13],1,0.331,0.672,29.8,[10.5:77.2],1,0.225,0.439,-4.93,[-5.29:-4.57],1,0.219,0.487,-10.82,[-10.96:-10.64],0,0.257,0.638,1.82,[1.57:2.07],1,0.472,0.688,1.06,[0.52:1.6],0,0.216,0.422,1,1,0.46555013383079,0.539062123553998,0.45,[0.04:0.86],1,0.34,0.539,3.26,[2.17:4.35],1,0.426,0.355,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,80.2706,0.574,1.609420652,0.919710667,3.59395029526399,1.931218512,0.932527188
O=C(O)C[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)[C@@H](C)CC,"hydrindane,Custom_44,Custom_22",8746,"hydrindane,Custom_44,Custom_22",0,1,0.619,0.729,1,1,0.392,0.543,1,1,0.348,0.586,1,1,0.484,0.651,1,1,0.442,0.638,1,1,0.744,0.801,0,1,4,5,6096,[3400:11000],1,0.472,0.716,2,0.42857143,1,0,0,1,0,6,0,-1,294.476,0,595.901,497.711,98.19,0,0,1069.646,1,2,0,0.0033563,0.8488238,32.801,9.085,13.378,3.932,4.985,-5.419,-4.316,-2.171,294.011,-0.707,167.553,-2.753,0,0,1,0.733,3,100,0,0,47.983,2,0,0,9,0,9,9,21,0.0019794783665969,0.06,[0.01:0.13],1,0.352,0.683,16.12,[3:36.03],1,0.221,0.461,-4.92,[-5.28:-4.56],1,0.22,0.487,-10.82,[-10.96:-10.64],0,0.254,0.637,1.82,[1.57:2.07],1,0.432,0.672,1.06,[0.52:1.6],0,0.217,0.423,1,1,0.450959261898102,0.531766687587654,0.72,[0.08:1.36],1,0.295,0.444,2.66,[2.13:3.19],1,0.422,0.527,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,6,2,1,1,37.3,80.0685,0.535,1.609420652,0.919710667,3.78504495833154,1.931218512,0.932527188
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O=C(O)C[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)(C)CCC,"hydrindane,Custom_44,Custom_24",8748,"hydrindane,Custom_44,Custom_24",1,1,0.254,0.444,1,1,0.364,0.49,1,1,0.265,0.528,1,1,0.493,0.717,0,1,0.435,0.69,1,1,0.741,0.822,0,1,4,5,5704,[3200:10000],1,0.48,0.644,2,0.42857143,1,0,0,1,0,6,0,-1,294.476,0,553.509,455.319,98.19,0,0,1023.599,1,2,0,0.0036133,0.8874153,30.958,8.782,13.068,3.83,4.696,-4.642,-4.316,-1.546,294.011,-0.629,167.553,-2.753,0,0,1,0.611,3,100,0,0,47.983,2,0,0,9,0,9,9,21,0.0118626354809244,0.05,[0:0.12],1,0.345,0.67,16.06,[3:35.99],1,0.216,0.459,-4.93,[-5.29:-4.57],1,0.217,0.486,-10.82,[-10.96:-10.64],0,0.243,0.632,1.82,[1.57:2.07],1,0.471,0.687,1.06,[0.52:1.6],0,0.214,0.422,0,1,0.440116025433865,0.501812176165078,0.73,[0.09:1.37],1,0.296,0.443,2.66,[2.13:3.19],1,0.413,0.526,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,6,2,1,1,37.3,81.488,0.534,1.609420652,0.919710667,3.75617951684381,1.931218512,0.932527188
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O=C(O)[C@H](C)C[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@H](C)CC,"hydrindane,Custom_45,Custom_12",8761,"hydrindane,Custom_45,Custom_12",0,1,0.317,0.647,1,1,0.438,0.567,1,1,0.312,0.546,1,1,0.49,0.641,0,1,0.442,0.664,1,1,0.416,0.505,0,1,4,5,6391,[3600:11000],1,0.42,0.694,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,555.884,472.334,83.55,0,0,1007.975,1,2,0,0.0035979,0.874609,30.333,8.482,12.451,3.736,4.694,-4.685,-4.026,-1.753,404.757,-0.526,236.707,-2.483,0,0,1,0.565,3,100,0,0,44.815,2,0,0,9,0,9,9,20,0.019025546021486,0.03,[0.02:0.04],1,0.354,0.749,19.7,[10.12:38.74],1,0.23,0.506,-4.82,[-5.16:-4.48],1,0.241,0.509,-10.82,[-10.96:-10.65],1,0.272,0.644,1.81,[1.56:2.06],1,0.467,0.683,0.86,[0.38:1.34],0,0.23,0.484,1,1,0.484326821998314,0.587654913811684,0.43,[0.04:0.84],1,0.369,0.546,2.84,[2.06:3.62],1,0.433,0.451,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,77.5336,0.574,1.609420652,0.919710667,3.80556881754856,1.931218512,0.932527188
O=C(O)[C@H](C)C[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCC(C)C,"hydrindane,Custom_45,Custom_13",8762,"hydrindane,Custom_45,Custom_13",0,1,0.281,0.628,1,1,0.438,0.567,1,1,0.318,0.551,0,1,0.494,0.689,0,1,0.437,0.662,1,1,0.41,0.495,0,1,4,5,6391,[3600:11000],1,0.531,0.719,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,561.331,477.781,83.55,0,0,1016.528,1,2,0,0.003563,0.8710146,30.675,8.549,12.548,3.749,4.749,-4.785,-4.026,-1.812,404.757,-0.532,236.707,-2.483,0,0,1,0.588,3,100,0,0,44.815,2,0,0,9,0,9,9,20,0.0151218470662544,0.03,[0.02:0.04],1,0.329,0.737,19.72,[10.12:38.75],1,0.23,0.506,-4.82,[-5.16:-4.48],1,0.242,0.509,-10.82,[-10.96:-10.65],1,0.272,0.644,1.83,[1.58:2.08],1,0.577,0.719,0.87,[0.39:1.35],0,0.23,0.485,1,1,0.488913074070934,0.589948039847993,0.44,[0.04:0.85],1,0.377,0.549,2.84,[2.06:3.62],1,0.431,0.447,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,78.494,0.574,1.609420652,0.919710667,3.80556881754856,1.931218512,0.932527188
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O=C(O)C(C)(C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)CC,"hydrindane,Custom_46,Custom_7",8781,"hydrindane,Custom_46,Custom_7",1,1,0.288,0.45,1,1,0.419,0.517,1,1,0.237,0.516,1,1,0.833,0.859,0,1,0.421,0.676,1,1,0.39,0.662,0,1,3,5,3169,[1800:5600],1,0.443,0.563,2,0.47368421,2,0,0,1,0,4,0,-1,266.423,0,496.67,424.849,71.821,0,0,915.62,1,2,0,0.0040268,0.918136,27.921,7.769,11.775,3.955,4.192,-3.932,-3.738,-1.049,522.9,-0.246,312.199,-2.459,0,0,0,0.4,3,100,0,0,39.284,2,0,0,9,0,9,9,19,0.108348099583421,0.03,[0.01:0.05],1,0.381,0.747,19.52,[10.12:38.83],1,0.231,0.504,-4.56,[-4.76:-4.36],1,0.241,0.596,-10.75,[-10.96:-10.54],1,0.282,0.637,1.82,[1.56:2.08],1,0.569,0.709,1.08,[0.44:1.72],0,0.248,0.398,1,1,0.43898737474803,0.525780744012618,0.71,[0.07:1.35],1,0.35,0.459,3.03,[2.46:3.6],1,0.452,0.559,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,4,2,1,1,37.3,72.8435,0.534,1.624709484,0.918686155,3.5009222391903,1.949404529,0.934024125
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O=C(O)C(C)(C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC(C)(C)C,"hydrindane,Custom_46,Custom_15",8789,"hydrindane,Custom_46,Custom_15",1,0,0.176,0.459,1,1,0.465,0.518,1,1,0.329,0.487,1,1,0.509,0.744,0,1,0.427,0.698,1,1,0.409,0.704,0,1,3,5,3314,[1900:5900],1,0.406,0.467,2,0.45,1,0,0,1,0,4,0,-1,280.45,0,522.004,450.182,71.821,0,0,963.706,1,2,0,0.0038314,0.9039015,29.845,8.127,12.408,4.016,4.497,-4.392,-4.026,-1.279,522.9,-0.264,312.199,-2.459,0,0,0,0.531,3,100,0,0,39.284,2,0,0,9,0,9,9,20,0.0394979047504449,0.06,[0.01:0.13],1,0.323,0.658,23.15,[10.5:40.97],1,0.216,0.513,-4.8,[-5.14:-4.46],1,0.239,0.506,-10.76,[-10.96:-10.55],0,0.258,0.628,1.84,[1.59:2.09],1,0.599,0.725,1.09,[0.45:1.73],0,0.248,0.399,0,1,0.431134936223014,0.52185452475011,0.43,[0.04:0.84],1,0.366,0.545,2.98,[2.42:3.54],1,0.421,0.588,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,4,2,1,1,37.3,79.3793,0.494,1.609420652,0.919710667,3.52035250408332,1.931218512,0.932527188
O=C(O)C(C)(C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)(C)CC,"hydrindane,Custom_46,Custom_16",8790,"hydrindane,Custom_46,Custom_16",0,1,0.19,0.518,1,1,0.385,0.478,1,1,0.33,0.483,1,1,0.484,0.666,0,1,0.426,0.681,1,1,0.396,0.698,0,1,3,5,3313,[1900:5900],1,0.409,0.481,2,0.45,2,0,0,1,0,4,0,-1,280.45,0,506.963,435.142,71.821,0,0,944.135,1,2,0,0.0039451,0.9180744,29.062,8.029,12.227,3.98,4.374,-4.119,-4.026,-1.05,522.9,-0.246,312.199,-2.459,0,0,0,0.479,3,100,0,0,39.284,2,0,0,9,0,9,9,20,0.0741692941592263,0.09,[0.01:0.17],1,0.35,0.65,23.18,[10.5:40.93],1,0.214,0.514,-4.62,[-4.9:-4.34],1,0.23,0.547,-10.76,[-10.96:-10.55],0,0.258,0.628,1.84,[1.61:2.07],1,0.693,0.767,1.33,[0.79:1.87],0,0.243,0.423,0,1,0.433732113773636,0.562357559699345,0.73,[0.09:1.37],1,0.31,0.446,2.97,[2.42:3.52],1,0.427,0.593,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,4,2,1,1,37.3,79.4731,0.494,1.609420652,0.919710667,3.52022143588196,1.931218512,0.932527188
O=C(O)C(C)(C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCCCC,"hydrindane,Custom_46,Custom_17",8791,"hydrindane,Custom_46,Custom_17",1,1,0.218,0.436,1,1,0.364,0.496,1,1,0.271,0.53,1,1,0.573,0.725,0,1,0.429,0.656,1,1,0.409,0.662,0,1,3,5,3581,[2000:6400],1,0.504,0.734,2,0.42857143,2,0,0,1,0,7,0,-1,294.476,0,565.293,498.346,66.948,0,0,1046.745,1,2,0,0.003538,0.8819661,31.242,8.752,12.59,3.425,5.059,-4.695,-4.316,-1.634,581.616,-0.432,350.257,-2.081,0,0,0,0.632,3,93.093,0,0,39.159,2,1,0,9,0,9,9,21,0.0493189850899019,0.06,[0.01:0.13],1,0.354,0.683,22.99,[10.5:40.72],1,0.219,0.515,-4.92,[-5.29:-4.55],1,0.213,0.484,-10.76,[-10.96:-10.55],0,0.264,0.63,1.81,[1.56:2.06],1,0.456,0.68,1.33,[0.79:1.87],0,0.242,0.423,1,1,0.438511545485412,0.52554282938131,0.44,[0.04:0.85],1,0.345,0.54,3.37,[2.18:4.56],1,0.424,0.341,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,77.4948,0.573,1.609420652,0.919710667,3.5540043210119,1.931218512,0.932527188
O=C(O)C(C)(C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)CCCC,"hydrindane,Custom_46,Custom_18",8792,"hydrindane,Custom_46,Custom_18",1,1,0.271,0.441,1,1,0.404,0.51,1,1,0.27,0.53,1,1,0.54,0.728,0,1,0.431,0.716,1,1,0.409,0.671,0,1,4,5,6178,[3500:11000],1,0.593,0.742,2,0.42857143,2,0,0,1,0,6,0,-1,294.476,0,553.128,482.175,70.952,0,0,1027.396,1,2,0,0.0036158,0.8902223,31.11,8.637,12.712,3.644,4.909,-4.635,-4.316,-1.501,532.915,-0.395,318.667,-2.251,0,0,0,0.622,3,100,0,0,39.342,2,0,0,9,0,9,9,21,0.0382960686900543,0.06,[0.01:0.13],1,0.355,0.677,23.06,[10.5:40.74],1,0.215,0.514,-4.82,[-5.16:-4.48],1,0.217,0.501,-10.76,[-10.96:-10.55],0,0.258,0.628,1.83,[1.58:2.08],1,0.53,0.701,1.33,[0.79:1.87],0,0.238,0.421,1,1,0.434480420358224,0.523527266817715,0.71,[0.07:1.35],1,0.322,0.454,2.66,[2.14:3.18],1,0.416,0.53,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,6,2,1,1,37.3,80.2069,0.534,1.609420652,0.919710667,3.79084790396543,1.931218512,0.932527188
O=C(O)C(C)(C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@@H](C)CCC,"hydrindane,Custom_46,Custom_19",8793,"hydrindane,Custom_46,Custom_19",1,1,0.214,0.496,1,1,0.404,0.51,1,1,0.27,0.53,1,1,0.502,0.721,0,1,0.429,0.699,1,1,0.41,0.705,0,1,4,5,6178,[3500:11000],1,0.593,0.736,2,0.42857143,2,0,0,1,0,6,0,-1,294.476,0,563.221,495.299,67.922,0,0,1034.014,1,2,0,0.003551,0.8780194,31.375,8.627,12.642,3.648,4.97,-4.82,-4.316,-1.698,569.373,-0.385,342.295,-2.195,0,0,0,0.638,3,100,0,0,38.811,2,0,0,9,0,9,9,21,0.0284591002859473,0.06,[0.01:0.13],1,0.348,0.674,23.07,[10.5:40.78],1,0.216,0.514,-4.82,[-5.16:-4.48],1,0.22,0.501,-10.76,[-10.96:-10.55],0,0.258,0.628,1.83,[1.58:2.08],1,0.562,0.714,1.33,[0.79:1.87],0,0.241,0.422,1,1,0.435300650500202,0.523937381888705,0.71,[0.08:1.34],1,0.334,0.459,2.66,[2.13:3.19],1,0.419,0.528,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,6,2,1,1,37.3,82.1607,0.534,1.609420652,0.919710667,3.79084790396543,1.931218512,0.932527188
O=C(O)C(C)(C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC[C@H](C)CC,"hydrindane,Custom_46,Custom_20",8794,"hydrindane,Custom_46,Custom_20",1,1,0.269,0.441,1,1,0.404,0.51,1,1,0.271,0.53,1,1,0.872,0.857,0,1,0.428,0.677,1,1,0.403,0.581,0,1,4,5,6178,[3500:11000],1,0.593,0.728,2,0.42857143,2,0,0,1,0,6,0,-1,294.476,0,561.292,493.37,67.922,0,0,1037.766,1,2,0,0.0035632,0.8831666,31.525,8.681,12.755,3.643,4.995,-4.784,-4.316,-1.615,569.373,-0.379,342.295,-2.195,0,0,0,0.649,3,100,0,0,38.811,2,0,0,9,0,9,9,21,0.0308709899733499,0.06,[0.01:0.13],1,0.34,0.672,23.07,[10.5:40.77],1,0.216,0.514,-4.82,[-5.16:-4.48],1,0.216,0.501,-10.76,[-10.96:-10.55],0,0.258,0.628,1.83,[1.59:2.07],1,0.579,0.721,1.33,[0.79:1.87],0,0.24,0.422,1,1,0.435611351607106,0.524092732442156,0.71,[0.08:1.34],1,0.335,0.46,2.66,[2.13:3.19],1,0.42,0.527,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,6,2,1,1,37.3,81.7471,0.534,1.609420652,0.919710667,3.79084790396543,1.931218512,0.932527188
O=C(O)C(C)(C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCC(C)C,"hydrindane,Custom_46,Custom_21",8795,"hydrindane,Custom_46,Custom_21",1,1,0.217,0.499,1,1,0.404,0.51,1,1,0.27,0.53,1,1,0.57,0.722,0,1,0.431,0.658,1,1,0.417,0.669,0,1,4,5,6178,[3500:11000],1,0.593,0.729,2,0.42857143,2,0,0,1,0,6,0,-1,294.476,0,569.284,501.362,67.922,0,0,1046.654,1,2,0,0.0035132,0.8757325,31.88,8.735,12.818,3.662,5.051,-4.931,-4.316,-1.735,569.373,-0.389,342.295,-2.195,0,0,0,0.673,3,92.878,0,0,38.811,2,1,0,9,0,9,9,21,0.0220343092785584,0.06,[0.01:0.13],1,0.331,0.668,23.07,[10.5:40.79],1,0.216,0.514,-4.82,[-5.16:-4.48],1,0.219,0.501,-10.76,[-10.96:-10.55],0,0.258,0.628,1.84,[1.6:2.08],1,0.602,0.731,1.34,[0.8:1.88],0,0.239,0.422,1,1,0.437155630438793,0.524864871858,0.44,[0.04:0.85],1,0.348,0.541,2.66,[2.12:3.2],1,0.42,0.525,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,6,2,1,1,37.3,81.5809,0.534,1.609420652,0.919710667,3.79084790396543,1.931218512,0.932527188
O=C(O)C(C)(C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)[C@@H](C)CC,"hydrindane,Custom_46,Custom_22",8796,"hydrindane,Custom_46,Custom_22",1,1,0.294,0.451,1,1,0.404,0.51,1,1,0.268,0.529,1,1,0.586,0.741,0,1,0.427,0.673,1,1,0.4,0.7,0,1,3,5,4257,[2400:7600],1,0.493,0.739,2,0.42857143,2,0,0,1,0,5,0,-1,294.476,0,580.645,508.824,71.821,0,0,1048.268,1,2,0,0.0034444,0.8594801,32.587,8.725,13.011,3.937,5.032,-5.302,-4.316,-1.998,522.9,-0.386,312.199,-2.363,0,0,0,0.717,3,92.102,0,0,39.284,2,1,0,9,0,9,9,21,0.00636802377382883,0.06,[0.01:0.13],1,0.362,0.679,23.15,[10.5:40.81],1,0.211,0.513,-4.62,[-4.9:-4.34],1,0.219,0.542,-10.76,[-10.96:-10.55],0,0.255,0.627,1.83,[1.58:2.08],1,0.558,0.712,1.33,[0.79:1.87],0,0.241,0.422,0,1,0.436061647676246,0.524317880476726,0.73,[0.09:1.37],1,0.294,0.443,2.66,[2.16:3.16],1,0.411,0.539,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,5,2,1,1,37.3,81.3788,0.495,1.609420652,0.919710667,3.62910365017714,1.931218512,0.932527188
O=C(O)C(C)(C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@@H](C)C(C)C,"hydrindane,Custom_46,Custom_23",8797,"hydrindane,Custom_46,Custom_23",1,1,0.271,0.441,1,1,0.404,0.51,1,1,0.271,0.53,1,1,0.841,0.864,0,1,0.43,0.664,1,1,0.406,0.582,0,1,4,5,6517,[3700:12000],1,0.508,0.746,2,0.42857143,2,0,0,1,0,5,0,-1,294.476,0,547.409,475.588,71.821,0,0,1020.963,1,2,0,0.0036536,0.8957626,31.494,8.609,12.959,3.857,4.863,-4.693,-4.316,-1.411,522.9,-0.335,312.199,-2.363,0,0,0,0.647,3,100,0,0,39.284,2,0,0,9,0,9,9,21,0.0258773347284341,0.05,[0:0.12],1,0.344,0.667,23.16,[10.5:40.84],1,0.212,0.513,-4.82,[-5.16:-4.48],1,0.22,0.502,-10.76,[-10.96:-10.55],0,0.255,0.627,1.84,[1.61:2.07],1,0.626,0.742,1.33,[0.79:1.87],0,0.244,0.423,0,1,0.430585723185113,0.52157991823116,0.71,[0.07:1.35],1,0.322,0.454,2.66,[2.15:3.17],1,0.416,0.537,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,5,2,1,1,37.3,83.1664,0.495,1.609420652,0.919710667,3.8140477209956,1.931218512,0.932527188
O=C(O)C(C)(C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)(C)CCC,"hydrindane,Custom_46,Custom_24",8798,"hydrindane,Custom_46,Custom_24",0,1,0.226,0.535,1,1,0.345,0.458,1,1,0.326,0.481,1,1,0.831,0.915,0,1,0.434,0.697,1,1,0.401,0.691,0,1,3,5,3417,[1900:6100],1,0.62,0.772,2,0.42857143,2,0,0,1,0,5,0,-1,294.476,0,538.598,466.777,71.821,0,0,1002.608,1,2,0,0.0037133,0.8994724,30.76,8.46,12.704,3.836,4.746,-4.532,-4.316,-1.351,522.9,-0.33,312.199,-2.363,0,0,0,0.596,3,100,0,0,39.284,2,0,0,9,0,9,9,21,0.0374903951000518,0.05,[0:0.12],1,0.356,0.67,17.85,[10.5:29.38],1,0.206,0.542,-4.82,[-5.16:-4.48],1,0.221,0.502,-10.76,[-10.96:-10.55],0,0.246,0.624,1.84,[1.6:2.08],1,0.603,0.732,1.33,[0.79:1.87],0,0.239,0.421,0,1,0.437489560125146,0.564236282875099,0.73,[0.09:1.37],1,0.294,0.442,2.67,[2.17:3.17],1,0.402,0.536,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,5,2,1,1,37.3,82.7983,0.494,1.609420652,0.919710667,3.53364497879876,1.931218512,0.932527188
O=C(O)C(C)(C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC(C)(C)CC,"hydrindane,Custom_46,Custom_25",8799,"hydrindane,Custom_46,Custom_25",1,0,0.197,0.482,1,1,0.425,0.498,1,1,0.326,0.485,1,1,0.809,0.876,0,1,0.435,0.702,1,1,0.422,0.675,0,1,3,5,3418,[1900:6100],1,0.626,0.771,2,0.42857143,2,0,0,1,0,5,0,-1,294.476,0,538.7,466.879,71.821,0,0,1001.247,1,2,0,0.0037126,0.8984874,30.705,8.443,12.672,3.836,4.737,-4.534,-4.316,-1.367,522.9,-0.331,312.199,-2.363,0,0,0,0.592,3,100,0,0,39.284,2,0,0,9,0,9,9,21,0.0373293913645253,0.06,[0:0.14],1,0.333,0.662,23.24,[10.5:40.89],1,0.207,0.512,-4.82,[-5.16:-4.48],1,0.223,0.502,-10.76,[-10.96:-10.55],0,0.246,0.624,1.84,[1.6:2.08],1,0.578,0.721,1.33,[0.79:1.87],0,0.244,0.423,0,1,0.434377367171965,0.523475740224586,0.71,[0.07:1.35],1,0.322,0.453,2.66,[2.15:3.17],1,0.408,0.535,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,5,2,1,1,37.3,84.2277,0.494,1.609420652,0.919710667,3.53377205838472,1.931218512,0.932527188
O=C(O)C(C)(C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCC(C)(C)C,"hydrindane,Custom_46,Custom_26",8800,"hydrindane,Custom_46,Custom_26",1,0,0.168,0.455,1,1,0.465,0.518,1,1,0.326,0.485,1,1,0.54,0.728,0,1,0.433,0.701,1,1,0.407,0.616,0,1,3,5,3419,[1900:6100],1,0.506,0.727,2,0.42857143,2,0,0,1,0,5,0,-1,294.476,0,557.562,489.64,67.922,0,0,1033.142,1,2,0,0.003587,0.8864317,31.982,8.652,12.995,3.855,4.966,-4.879,-4.316,-1.562,569.373,-0.314,342.295,-2.291,0,0,0,0.68,3,100,0,0,38.811,2,0,0,9,0,9,9,21,0.0199086022653889,0.06,[0:0.14],1,0.315,0.655,22.53,[10.5:40.33],1,0.208,0.513,-4.81,[-5.15:-4.47],1,0.222,0.5,-10.76,[-10.96:-10.55],0,0.246,0.624,1.84,[1.59:2.09],1,0.547,0.708,1.33,[0.79:1.87],0,0.243,0.423,0,1,0.431184441583147,0.497346384239719,0.44,[0.04:0.85],1,0.351,0.542,2.66,[2.15:3.17],1,0.408,0.531,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,5,2,1,1,37.3,83.9419,0.494,1.609420652,0.919710667,3.53389910079659,1.931218512,0.932527188
O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C,"hydrindane,Custom_47,Custom_1",8801,"hydrindane,Custom_47,Custom_1",0,1,0.354,0.572,1,1,0.419,0.56,1,1,0.418,0.64,0,1,0.45,0.725,0,1,0.776,0.832,1,1,0.415,0.531,0,1,4,5,6288,[3500:11000],1,0.421,0.685,2,0.52941176,1,0,0,1,0,5,0,-1,238.369,0,501.47,393.312,108.158,0,0,880.581,1,2,0,0.0039883,0.8859989,25.876,7.502,11.249,3.993,3.71,-3.856,-3.164,-1.569,236.504,-0.656,132.428,-3.033,0,0,1,0.254,3,91.156,0,0,50.947,2,0,0,9,0,9,9,17,0.0307982470299786,0.02,[0.01:0.03],1,0.346,0.753,6.18,[0.01:27.99],1,0.261,0.387,-4.68,[-4.91:-4.45],1,0.258,0.576,-10.79,[-10.96:-10.62],1,0.355,0.682,1.86,[1.52:2.2],1,0.41,0.628,0.71,[0.3:1.12],0,0.233,0.517,1,1,0.490314691766398,0.551444402521802,-0.1,[-0.33:0.13],1,0.356,0.606,3.27,[2.47:4.07],1,0.462,0.488,238.193280072,43,17,15,2,0,0,2,0,0.933333333333333,5,2,1,1,37.3,61.6598,0.652,1.568343624,0.914081282,3.79851253303135,1.928734681,0.924826502
O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC,"hydrindane,Custom_47,Custom_3",8802,"hydrindane,Custom_47,Custom_3",0,1,0.333,0.571,1,1,0.412,0.556,1,1,0.37,0.614,0,1,0.452,0.681,0,1,0.529,0.677,1,1,0.426,0.547,0,1,3,5,3527,[2000:6300],1,0.638,0.832,2,0.5,1,0,0,1,0,6,0,-1,252.396,0,528.298,420.232,108.066,0,0,932.258,1,2,0,0.0037857,0.8735944,27.302,7.934,11.654,3.837,4.039,-4.181,-3.45,-1.77,236.978,-0.742,132.715,-2.935,0,0,1,0.353,3,93.097,0,0,50.879,2,0,0,9,0,9,9,18,0.0193065079637326,0.02,[0:0.04],1,0.363,0.761,19.62,[10.12:39.01],1,0.254,0.511,-4.79,[-5.12:-4.46],1,0.246,0.517,-10.82,[-10.97:-10.65],1,0.328,0.678,1.88,[1.53:2.23],1,0.397,0.621,0.71,[0.3:1.13],0,0.222,0.513,1,1,0.480220536995343,0.546397325136275,0.14,[-0.19:0.47],1,0.361,0.569,3.29,[2.58:4],1,0.414,0.54,252.208930136,46,18,16,2,0,0,2,0,0.9375,6,2,1,1,37.3,64.7376,0.652,1.65465485,0.920814116,3.54740545966749,1.974165103,0.935447087
O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCC,"hydrindane,Custom_47,Custom_4",8803,"hydrindane,Custom_47,Custom_4",0,1,0.285,0.63,1,1,0.405,0.551,1,1,0.285,0.537,0,1,0.538,0.629,0,1,0.493,0.642,1,1,0.426,0.544,0,1,3,5,4173,[2300:7400],1,0.479,0.476,2,0.47368421,1,0,0,1,0,7,0,-1,266.423,0,558.189,450.128,108.062,0,0,989.376,1,2,0,0.003583,0.8602493,28.946,8.426,12.129,3.688,4.403,-4.565,-3.738,-1.986,237.002,-0.832,132.73,-2.839,0,0,1,0.467,3,95.227,0,0,50.938,2,0,0,9,0,9,9,19,0.0105176799828755,0.02,[0:0.04],1,0.358,0.756,19.58,[10.12:38.72],1,0.248,0.511,-4.81,[-5.14:-4.48],1,0.235,0.509,-10.82,[-10.97:-10.65],1,0.309,0.669,1.81,[1.55:2.07],1,0.41,0.661,0.88,[0.42:1.34],0,0.219,0.491,1,1,0.470919930772199,0.580951468198626,0.45,[0.04:0.87],1,0.358,0.542,3.25,[2.28:4.2],1,0.426,0.388,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,7,2,1,1,37.3,69.1894,0.652,1.624709484,0.918686155,3.62044838471171,1.949404529,0.934024125
O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)C,"hydrindane,Custom_47,Custom_5",8804,"hydrindane,Custom_47,Custom_5",0,1,0.322,0.611,1,1,0.405,0.551,1,1,0.288,0.537,1,1,0.489,0.606,0,1,0.524,0.625,1,1,0.421,0.544,0,1,4,5,6233,[3500:11000],1,0.507,0.713,2,0.47368421,1,0,0,1,0,6,0,-1,266.423,0,542.673,434.608,108.065,0,0,968.817,1,2,0,0.0036855,0.8725449,28.765,8.278,12.215,3.871,4.273,-4.444,-3.738,-1.787,236.984,-0.744,132.719,-2.935,0,0,1,0.455,3,94.468,0,0,50.879,2,0,0,9,0,9,9,19,0.0111387089779899,0.03,[0.02:0.04],1,0.346,0.746,19.59,[10.12:38.71],1,0.245,0.51,-4.8,[-5.13:-4.47],1,0.235,0.51,-10.82,[-10.97:-10.65],1,0.293,0.663,1.82,[1.56:2.08],1,0.457,0.671,0.86,[0.38:1.34],0,0.215,0.481,1,1,0.483998298788811,0.587490652206932,0.45,[0.04:0.87],1,0.362,0.543,2.95,[2.09:3.81],1,0.425,0.442,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,6,2,1,1,37.3,70.1951,0.613,1.624709484,0.918686155,3.794697126892,1.949404529,0.934024125
O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCC,"hydrindane,Custom_47,Custom_6",8805,"hydrindane,Custom_47,Custom_6",0,1,0.32,0.648,1,1,0.439,0.568,1,1,0.317,0.549,0,1,0.539,0.627,0,1,0.451,0.644,1,1,0.435,0.51,0,1,3,5,4426,[2500:7900],1,0.518,0.47,2,0.45,1,0,0,1,0,8,0,-1,280.45,0,589.786,481.724,108.062,0,0,1047.777,1,2,0,0.0033911,0.8458951,30.641,8.94,12.605,3.543,4.775,-4.981,-4.026,-2.218,237.002,-0.925,132.73,-2.743,0,0,1,0.586,3,100,0,0,50.938,2,0,0,9,0,9,9,20,0.00528990105666523,0.02,[0:0.04],1,0.366,0.758,19.67,[10.12:38.63],1,0.239,0.509,-4.91,[-5.27:-4.55],1,0.225,0.491,-10.82,[-10.97:-10.65],1,0.292,0.662,1.82,[1.56:2.08],1,0.385,0.654,1.08,[0.56:1.6],0,0.215,0.433,1,1,0.462808732665192,0.576895869145122,0.45,[0.04:0.86],1,0.352,0.541,3.14,[2.24:4.04],1,0.439,0.408,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,8,2,1,1,37.3,72.101,0.652,1.609420652,0.919710667,3.64601140959124,1.931218512,0.932527188
O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)CC,"hydrindane,Custom_47,Custom_7",8806,"hydrindane,Custom_47,Custom_7",0,1,0.3,0.61,1,1,0.359,0.527,1,1,0.609,0.693,1,1,0.572,0.557,0,1,0.53,0.62,1,1,0.419,0.573,0,1,3,5,3600,[2000:6400],1,0.45,0.461,2,0.45,1,0,0,1,0,7,0,-1,280.45,0,566.466,458.401,108.065,0,0,1018.533,1,2,0,0.0035307,0.8642537,30.113,8.716,12.628,3.708,4.591,-4.716,-4.026,-1.921,236.984,-0.823,132.719,-2.839,0,0,1,0.55,3,96.327,0,0,50.879,2,0,0,9,0,9,9,20,0.00780778995108096,0.02,[0:0.04],1,0.362,0.756,19.67,[10.12:38.62],1,0.235,0.508,-4.91,[-5.27:-4.55],1,0.224,0.491,-10.82,[-10.96:-10.65],1,0.277,0.646,1.82,[1.56:2.08],1,0.401,0.659,0.86,[0.38:1.34],0,0.212,0.48,1,1,0.47222870430781,0.581605854966432,0.44,[0.04:0.85],1,0.345,0.539,2.87,[2.06:3.68],1,0.44,0.44,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,73.2729,0.613,1.609420652,0.919710667,3.55630250076729,1.931218512,0.932527188
O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC(C)C,"hydrindane,Custom_47,Custom_8",8807,"hydrindane,Custom_47,Custom_8",0,1,0.572,0.739,1,1,0.439,0.567,1,1,0.61,0.694,1,1,0.577,0.582,0,1,0.485,0.647,1,1,0.42,0.547,0,1,3,5,3601,[2000:6400],1,0.507,0.474,2,0.45,1,0,0,1,0,7,0,-1,280.45,0,579.839,471.771,108.068,0,0,1035.065,1,2,0,0.0034492,0.853433,30.775,8.839,12.77,3.74,4.695,-4.962,-4.026,-2.096,236.97,-0.848,132.711,-2.839,0,0,1,0.594,3,96.937,0,0,50.879,2,0,0,9,0,9,9,20,0.00443820345474877,0.02,[0:0.04],1,0.343,0.749,19.68,[10.12:38.63],1,0.237,0.508,-4.91,[-5.27:-4.55],1,0.226,0.491,-10.82,[-10.96:-10.65],1,0.277,0.646,1.82,[1.57:2.07],1,0.454,0.679,0.86,[0.38:1.34],0,0.215,0.482,1,1,0.476706820041899,0.583844912833476,0.44,[0.04:0.85],1,0.352,0.541,3.09,[2.2:3.98],1,0.436,0.408,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,75.0605,0.613,1.609420652,0.919710667,3.55642312137129,1.931218512,0.932527188
O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)(C)C,"hydrindane,Custom_47,Custom_9",8808,"hydrindane,Custom_47,Custom_9",1,1,0.217,0.5,1,1,0.411,0.519,1,1,0.272,0.532,0,1,0.478,0.67,1,1,0.433,0.62,1,1,0.414,0.605,0,1,4,5,6988,[3900:12000],1,0.47,0.726,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,547.977,439.821,108.156,0,0,1002.601,1,2,0,0.0036498,0.8840727,30.117,8.645,12.864,3.885,4.491,-4.541,-4.026,-1.6,236.512,-0.721,132.434,-2.937,0,0,1,0.551,3,95.73,0,0,50.946,2,0,0,9,0,9,9,20,0.00934317504182901,0.03,[0.02:0.04],1,0.324,0.74,30.18,[10.5:77.79],1,0.228,0.44,-4.81,[-5.14:-4.48],1,0.222,0.503,-10.82,[-10.96:-10.64],0,0.26,0.639,1.83,[1.58:2.08],1,0.535,0.704,1.06,[0.52:1.6],0,0.209,0.42,1,1,0.464684927699388,0.57783396666222,0.45,[0.04:0.86],1,0.349,0.54,2.85,[2.06:3.64],1,0.43,0.446,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,75.0541,0.573,1.609420652,0.919710667,3.84435289631089,1.931218512,0.932527188
O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCCC,"hydrindane,Custom_47,Custom_10",8809,"hydrindane,Custom_47,Custom_10",0,1,0.313,0.645,1,1,0.434,0.564,1,1,0.35,0.589,0,1,0.543,0.608,0,1,0.531,0.626,1,1,0.433,0.52,0,1,3,5,3668,[2100:6500],1,0.427,0.455,2,0.42857143,1,0,0,1,0,9,0,-1,294.476,0,613.499,517.639,95.86,0,0,1097.837,1,2,0,0.00326,0.8388991,32.003,9.316,12.828,3.297,5.18,-5.255,-4.316,-2.331,309.358,-0.887,177.026,-2.422,0,0,1,0.683,3,88.894,0,0,47.724,2,1,0,9,0,9,9,21,0.00619533896092946,0.02,[0:0.04],1,0.373,0.761,30.21,[10.5:77.71],1,0.228,0.441,-4.93,[-5.29:-4.57],1,0.214,0.487,-10.82,[-10.96:-10.65],1,0.278,0.646,1.82,[1.56:2.08],1,0.354,0.643,1.08,[0.56:1.6],0,0.211,0.431,1,1,0.45490352398479,0.572943264804922,0.16,[-0.24:0.56],1,0.334,0.538,3.53,[2.33:4.73],1,0.42,0.333,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,9,2,1,1,37.3,75.0126,0.652,1.609420652,0.919710667,3.56442932699798,1.931218512,0.932527188
O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)CCC,"hydrindane,Custom_47,Custom_11",8810,"hydrindane,Custom_47,Custom_11",0,1,0.303,0.642,1,1,0.433,0.564,1,1,0.345,0.586,1,1,0.58,0.561,0,1,0.572,0.635,1,1,0.423,0.558,0,1,3,5,4400,[2500:7800],1,0.437,0.458,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,595.64,487.482,108.158,0,0,1077.155,1,2,0,0.0033577,0.8531663,31.817,9.235,13.15,3.558,4.965,-5.089,-4.316,-2.1,236.504,-0.909,132.428,-2.745,0,0,1,0.67,3,100,0,0,50.947,2,0,0,9,0,9,9,21,0.00431786248304184,0.03,[0.01:0.04],1,0.354,0.754,30.21,[10.5:77.78],1,0.225,0.44,-4.93,[-5.29:-4.57],1,0.216,0.487,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.398,0.659,1.08,[0.56:1.6],0,0.209,0.43,1,1,0.46201298557862,0.576497995601836,0.45,[0.04:0.86],1,0.325,0.533,3.44,[2.24:4.64],1,0.431,0.337,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,77.7247,0.613,1.609420652,0.919710667,3.64345267648619,1.931218512,0.932527188
O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@H](C)CC,"hydrindane,Custom_47,Custom_12",8811,"hydrindane,Custom_47,Custom_12",0,1,0.311,0.644,1,1,0.433,0.564,1,1,0.344,0.585,1,1,0.575,0.6,0,1,0.448,0.62,1,1,0.434,0.524,0,1,3,5,4400,[2500:7800],1,0.445,0.46,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,601.638,494.317,107.321,0,0,1082.491,1,2,0,0.0033243,0.847447,32.03,9.267,13.154,3.567,5.004,-5.199,-4.316,-2.193,240.868,-0.915,135.072,-2.729,0,0,1,0.684,3,85.914,0,0,50.539,2,1,0,9,0,9,9,21,0.00347039258432423,0.03,[0.01:0.04],1,0.358,0.756,30.24,[10.5:77.78],1,0.226,0.44,-4.92,[-5.28:-4.56],1,0.216,0.487,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.387,0.655,0.86,[0.38:1.34],0,0.212,0.48,1,1,0.467208999761858,0.579096002693455,0.44,[0.04:0.85],1,0.33,0.535,3.44,[2.24:4.64],1,0.43,0.336,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,78.1383,0.613,1.609420652,0.919710667,3.64345267648619,1.931218512,0.932527188
O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCC(C)C,"hydrindane,Custom_47,Custom_13",8812,"hydrindane,Custom_47,Custom_13",0,1,0.274,0.593,1,1,0.433,0.564,1,1,0.349,0.59,1,1,0.538,0.583,0,1,0.441,0.617,1,1,0.436,0.515,0,1,3,5,4401,[2500:7800],1,0.451,0.461,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,607.087,499.764,107.323,0,0,1091.047,1,2,0,0.0032944,0.8442607,32.373,9.342,13.251,3.58,5.058,-5.3,-4.316,-2.245,240.857,-0.922,135.065,-2.729,0,0,1,0.708,3,86.233,0,0,50.54,2,1,0,9,0,9,9,21,0.0027546698407106,0.06,[0.01:0.13],1,0.326,0.675,30.25,[10.5:77.77],1,0.226,0.44,-4.92,[-5.28:-4.56],1,0.215,0.487,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.452,0.68,1.08,[0.56:1.6],0,0.212,0.432,1,1,0.470776476502413,0.580879741063733,0.16,[-0.24:0.56],1,0.337,0.539,3.44,[2.24:4.64],1,0.427,0.334,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,79.0987,0.613,1.609420652,0.919710667,3.64355136856294,1.931218512,0.932527188
O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)C(C)C,"hydrindane,Custom_47,Custom_14",8813,"hydrindane,Custom_47,Custom_14",0,1,0.59,0.757,1,1,0.353,0.523,1,1,0.342,0.582,1,1,0.569,0.556,0,1,0.529,0.619,1,1,0.421,0.562,0,1,3,5,3634,[2000:6500],1,0.425,0.462,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,586.304,478.146,108.158,0,0,1072.909,1,2,0,0.0034112,0.8644723,32.289,9.225,13.489,3.756,4.939,-5.08,-4.316,-1.917,236.504,-0.823,132.428,-2.841,0,0,1,0.702,3,100,0,0,50.947,2,0,0,9,0,9,9,21,0.00353206809059938,0.06,[0.01:0.13],1,0.342,0.681,16.28,[3:36.19],1,0.223,0.461,-4.92,[-5.28:-4.56],1,0.216,0.487,-10.82,[-10.96:-10.64],0,0.257,0.638,1.82,[1.57:2.07],1,0.439,0.675,1.06,[0.52:1.6],0,0.21,0.42,1,1,0.461977954446399,0.576480480035726,0.44,[0.04:0.85],1,0.316,0.53,3.36,[2.17:4.55],1,0.43,0.34,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,78.7304,0.574,1.609420652,0.919710667,3.56038492297202,1.931218512,0.932527188
O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC(C)(C)C,"hydrindane,Custom_47,Custom_15",8814,"hydrindane,Custom_47,Custom_15",0,1,0.497,0.749,1,1,0.364,0.496,1,1,0.261,0.526,1,1,0.571,0.613,0,1,0.808,0.814,1,1,0.569,0.618,0,1,3,5,3573,[2000:6400],1,0.608,0.741,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,590.449,482.293,108.156,0,0,1066.033,1,2,0,0.0033873,0.8547313,32.014,9.135,13.271,3.766,4.893,-5.156,-4.316,-2.075,236.512,-0.845,132.434,-2.841,0,0,1,0.681,3,100,0,0,50.946,2,0,0,9,0,9,9,21,0.00296415429124656,0.06,[0.01:0.13],1,0.312,0.664,16.28,[3:36.19],1,0.221,0.46,-4.93,[-5.29:-4.57],1,0.215,0.486,-10.82,[-10.96:-10.64],0,0.248,0.635,1.95,[1.77:2.13],1,0.495,0.717,0.86,[0.38:1.34],0,0.213,0.481,1,1,0.463379853449028,0.57718142953704,0.44,[0.04:0.85],1,0.338,0.537,3.28,[2.18:4.38],1,0.418,0.35,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,79.8087,0.573,1.609420652,0.919710667,3.55303301620244,1.931218512,0.932527188
O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)(C)CC,"hydrindane,Custom_47,Custom_16",8815,"hydrindane,Custom_47,Custom_16",1,1,0.262,0.438,1,1,0.404,0.516,1,1,0.262,0.527,0,1,0.779,0.798,1,1,0.439,0.612,1,1,0.418,0.57,0,1,3,5,3573,[2000:6400],1,0.511,0.734,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,574.748,466.591,108.158,0,0,1046.709,1,2,0,0.0034798,0.8674369,31.241,8.991,13.107,3.728,4.771,-4.868,-4.316,-1.87,236.504,-0.817,132.428,-2.841,0,0,1,0.629,3,100,0,0,50.947,2,0,0,9,0,9,9,21,0.00575632830796,0.06,[0.01:0.13],1,0.331,0.674,16.18,[3:36.09],1,0.218,0.459,-4.92,[-5.28:-4.56],1,0.212,0.486,-10.82,[-10.96:-10.64],0,0.248,0.635,1.82,[1.57:2.07],1,0.463,0.684,1.06,[0.52:1.6],0,0.207,0.419,1,1,0.453273615796212,0.532923864536709,0.45,[0.04:0.86],1,0.308,0.527,3.37,[2.18:4.56],1,0.425,0.34,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,79.9025,0.573,1.609420652,0.919710667,3.55303301620244,1.931218512,0.932527188
O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCCCC,"hydrindane,Custom_47,Custom_17",8816,"hydrindane,Custom_47,Custom_17",0,1,0.303,0.641,1,1,0.429,0.561,1,1,0.341,0.587,0,1,0.542,0.611,0,1,0.57,0.626,1,1,0.434,0.524,0,1,3,5,4111,[2300:7300],1,0.401,0.501,2,0.40909091,1,0,0,1,0,10,0,-2,308.503,0,641.278,533.957,107.321,0,0,1154.576,1,2,0,0.0031188,0.8299795,33.631,9.923,13.517,3.221,5.465,-5.604,-4.606,-2.476,240.868,-1.078,135.072,-2.537,0,0,1,0.799,3,88.615,0,0,50.539,2,1,0,9,0,9,9,22,0.00222626735356356,0.03,[0.01:0.04],1,0.371,0.761,16.38,[3:36.22],1,0.218,0.46,-4.94,[-5.3:-4.58],1,0.203,0.483,-10.82,[-10.96:-10.65],0,0.266,0.642,1.82,[1.56:2.08],1,0.322,0.632,1.09,[0.57:1.61],0,0.21,0.43,1,1,0.446994708450876,0.568988857037964,0.09,[-0.33:0.51],1,0.308,0.534,4.11,[3.03:5],1,0.408,0.356,308.271530392001,58,22,20,2,0,0,2,0,0.95,10,2,1,1,37.3,77.9242,0.652,1.609420652,0.919710667,3.61394747678035,1.931218512,0.932527188
O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)CCCC,"hydrindane,Custom_47,Custom_18",8817,"hydrindane,Custom_47,Custom_18",0,1,0.295,0.638,1,1,0.429,0.56,1,1,0.378,0.636,1,1,0.883,0.712,1,1,0.57,0.646,1,1,0.432,0.565,0,1,4,5,5291,[3000:9400],1,0.351,0.441,2,0.40909091,1,0,0,1,0,9,0,-2,308.503,0,627.237,519.079,108.158,0,0,1135.556,1,2,0,0.0031886,0.8392142,33.512,9.758,13.625,3.414,5.338,-5.508,-4.606,-2.326,236.504,-1.003,132.428,-2.649,0,0,1,0.79,3,87.73,0,0,50.947,2,1,0,9,0,9,9,22,0.0021499814456389,0.03,[0.01:0.04],1,0.352,0.754,16.24,[3:36.09],1,0.216,0.459,-4.94,[-5.3:-4.58],1,0.206,0.484,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.357,0.645,1.08,[0.56:1.6],0,0.206,0.429,1,1,0.453636159565691,0.572309582595372,0.33,[-0.22:0.88],1,0.301,0.492,4.1,[2.97:5],1,0.416,0.355,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,80.6363,0.613,1.609420652,0.919710667,3.72353776153206,1.931218512,0.932527188
O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@@H](C)CCC,"hydrindane,Custom_47,Custom_19",8818,"hydrindane,Custom_47,Custom_19",0,1,0.264,0.586,1,1,0.429,0.56,1,1,0.334,0.583,1,1,0.882,0.732,0,1,0.567,0.642,1,1,0.422,0.524,0,1,4,5,5292,[3000:9400],1,0.415,0.46,2,0.40909091,1,0,0,1,0,9,0,-2,308.503,0,629.978,521.82,108.158,0,0,1142.623,1,2,0,0.0031747,0.8390252,33.795,9.824,13.734,3.42,5.384,-5.559,-4.606,-2.329,236.504,-1.003,132.428,-2.649,0,0,1,0.81,3,87.997,0,0,50.947,2,1,0,9,0,9,9,22,0.00191367240949745,0.06,[0.01:0.12],1,0.345,0.684,16.29,[3:36.14],1,0.216,0.459,-4.94,[-5.3:-4.58],1,0.206,0.483,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.372,0.651,1.06,[0.52:1.6],0,0.208,0.419,1,1,0.457415149485548,0.5741990775553,0.32,[-0.23:0.87],1,0.307,0.494,4.04,[2.93:5],1,0.414,0.35,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,82.5901,0.613,1.609420652,0.919710667,3.72361983551546,1.931218512,0.932527188
O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC[C@H](C)CC,"hydrindane,Custom_47,Custom_20",8819,"hydrindane,Custom_47,Custom_20",0,1,0.3,0.64,1,1,0.429,0.56,1,1,0.34,0.588,1,1,0.536,0.582,0,1,0.524,0.606,1,1,0.434,0.515,0,1,4,5,5292,[3000:9400],1,0.359,0.443,2,0.40909091,1,0,0,1,0,9,0,-1,308.503,0,625.803,527.875,97.928,0,0,1133.424,1,2,0,0.0031959,0.8400828,33.427,9.667,13.435,3.341,5.395,-5.482,-4.606,-2.312,295.696,-0.904,168.591,-2.46,0,0,1,0.784,3,89.802,0,0,47.982,2,1,0,9,0,9,9,22,0.00352693270426291,0.06,[0.01:0.12],1,0.339,0.681,16.29,[3:36.14],1,0.216,0.459,-4.93,[-5.29:-4.57],1,0.204,0.483,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.38,0.654,1.08,[0.56:1.6],0,0.208,0.43,1,1,0.461789725524796,0.576386365574924,0.32,[-0.23:0.87],1,0.306,0.494,4.05,[2.95:5],1,0.415,0.351,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,82.1765,0.613,1.609420652,0.919710667,3.72361983551546,1.931218512,0.932527188
O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCC(C)C,"hydrindane,Custom_47,Custom_21",8820,"hydrindane,Custom_47,Custom_21",0,1,0.568,0.736,1,1,0.429,0.56,1,1,0.339,0.587,1,1,0.586,0.589,0,1,0.567,0.629,1,1,0.507,0.587,0,1,4,5,5292,[3000:9400],1,0.376,0.445,2,0.40909091,1,0,0,1,0,9,0,-2,308.503,0,640.079,531.921,108.158,0,0,1150.845,1,2,0,0.0031246,0.8297413,34.124,9.894,13.748,3.445,5.435,-5.745,-4.606,-2.479,236.504,-1.026,132.428,-2.649,0,0,1,0.831,3,88.298,0,0,50.947,2,1,1,9,0,9,9,22,0.00124583850187052,0.06,[0.01:0.13],1,0.329,0.676,16.32,[3:36.17],1,0.217,0.46,-4.93,[-5.29:-4.57],1,0.204,0.483,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.397,0.66,1.08,[0.56:1.6],0,0.207,0.43,1,1,0.4632479149235,0.577115460274276,0.09,[-0.33:0.51],1,0.312,0.535,4.05,[2.95:5],1,0.413,0.35,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,82.0103,0.613,1.609420652,0.919710667,3.72361983551546,1.931218512,0.932527188
O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)[C@@H](C)CC,"hydrindane,Custom_47,Custom_22",8821,"hydrindane,Custom_47,Custom_22",0,1,0.571,0.746,1,1,0.348,0.52,1,1,0.334,0.582,1,1,0.828,0.69,1,1,0.532,0.613,1,1,0.42,0.6,0,1,3,5,4449,[2500:7900],1,0.411,0.443,2,0.40909091,1,0,0,1,0,8,0,-1,308.503,0,648.887,540.729,108.158,0,0,1151.348,1,2,0,0.0030822,0.8187173,34.786,9.897,13.894,3.686,5.436,-6.071,-4.606,-2.658,236.504,-0.994,132.428,-2.745,0,0,1,0.873,3,88.306,0,0,50.947,2,1,1,9,0,9,9,22,0.000472048624184478,0.06,[0.01:0.12],1,0.352,0.686,15.99,[3:34.83],1,0.213,0.468,-4.93,[-5.29:-4.57],1,0.207,0.484,-10.82,[-10.96:-10.64],0,0.245,0.633,1.82,[1.57:2.07],1,0.37,0.65,1.06,[0.52:1.6],0,0.207,0.419,1,1,0.450647318816189,0.570815162220621,0.42,[0.03:0.85],1,0.285,0.525,3.61,[2.41:4.81],1,0.42,0.337,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,81.8082,0.574,1.609420652,0.919710667,3.64826240574804,1.931218512,0.932527188
O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@@H](C)C(C)C,"hydrindane,Custom_47,Custom_23",8822,"hydrindane,Custom_47,Custom_23",0,1,0.297,0.638,1,1,0.428,0.56,1,1,0.339,0.587,1,1,0.569,0.573,1,1,0.522,0.624,1,1,0.432,0.515,0,1,4,5,6663,[3700:12000],1,0.418,0.457,2,0.40909091,1,0,0,1,0,8,0,-1,308.503,0,605.129,509.966,95.163,0,0,1112.681,1,2,0,0.0033051,0.8581519,33.239,9.485,13.555,3.493,5.284,-5.264,-4.606,-2.02,314.103,-0.78,179.963,-2.505,0,0,1,0.771,3,89.619,0,0,47.983,2,1,0,9,0,9,9,22,0.00525314419471262,0.06,[0.01:0.13],1,0.335,0.677,16.21,[3:36.07],1,0.214,0.458,-4.93,[-5.29:-4.57],1,0.206,0.484,-10.82,[-10.96:-10.64],0,0.245,0.633,1.82,[1.57:2.07],1,0.404,0.663,1.05,[0.51:1.59],0,0.209,0.42,1,1,0.461291153152296,0.576137079388674,0.33,[-0.22:0.88],1,0.301,0.493,3.6,[2.4:4.8],1,0.418,0.335,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,83.5958,0.574,1.609420652,0.919710667,3.82366981326814,1.931218512,0.932527188
O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)(C)CCC,"hydrindane,Custom_47,Custom_24",8823,"hydrindane,Custom_47,Custom_24",1,1,0.289,0.537,1,1,0.438,0.528,1,1,0.254,0.521,1,1,0.442,0.682,0,1,0.565,0.651,1,1,0.422,0.597,0,1,3,5,2080,[1200:3700],1,0.355,0.67,2,0.40909091,1,0,0,1,0,8,0,-1,308.503,0,606.383,498.225,108.158,0,0,1105.182,1,2,0,0.0032982,0.8525253,32.939,9.495,13.584,3.584,5.145,-5.287,-4.606,-2.111,236.504,-0.911,132.428,-2.745,0,0,1,0.749,3,86.598,0,0,50.947,2,1,0,9,0,9,9,22,0.00286971941917329,0.06,[0.01:0.13],1,0.338,0.676,15.95,[3:34.84],1,0.209,0.466,-4.94,[-5.3:-4.58],1,0.205,0.483,-10.82,[-10.96:-10.64],0,0.237,0.63,1.82,[1.57:2.07],1,0.396,0.66,1.06,[0.52:1.6],0,0.204,0.418,1,1,0.44569570060502,0.529134906941114,0.45,[0.04:0.86],1,0.286,0.521,3.61,[2.41:4.81],1,0.413,0.335,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,83.2277,0.573,1.609420652,0.919710667,3.31806333496276,1.931218512,0.932527188
O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC(C)(C)CC,"hydrindane,Custom_47,Custom_25",8824,"hydrindane,Custom_47,Custom_25",1,1,0.246,0.559,1,1,0.438,0.528,1,1,0.254,0.521,1,1,0.867,0.743,0,1,0.562,0.64,1,1,0.466,0.565,0,1,3,5,2080,[1200:3700],1,0.412,0.677,2,0.40909091,1,0,0,1,0,8,0,-1,308.503,0,605.534,498.213,107.321,0,0,1101.941,1,2,0,0.0033029,0.8520508,32.809,9.458,13.513,3.576,5.13,-5.271,-4.606,-2.118,240.868,-0.904,135.072,-2.729,0,0,1,0.74,3,86.652,0,0,50.539,2,1,0,9,0,9,9,22,0.00308248993835752,0.13,[0.01:0.26],1,0.322,0.571,15.97,[3:34.82],1,0.21,0.466,-4.93,[-5.29:-4.57],1,0.205,0.483,-10.82,[-10.96:-10.64],0,0.237,0.63,1.95,[1.76:2.14],1,0.425,0.692,1.05,[0.51:1.59],0,0.21,0.42,1,1,0.45486919605956,0.572926100842306,0.32,[-0.23:0.87],1,0.302,0.493,3.61,[2.41:4.81],1,0.412,0.334,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,84.6571,0.573,1.609420652,0.919710667,3.31806333496276,1.931218512,0.932527188
O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCC(C)(C)C,"hydrindane,Custom_47,Custom_26",8825,"hydrindane,Custom_47,Custom_26",0,1,0.244,0.592,1,1,0.438,0.528,1,1,0.258,0.523,1,1,0.576,0.559,0,1,0.849,0.784,1,1,0.419,0.515,0,1,3,5,2080,[1200:3700],1,0.427,0.679,2,0.40909091,1,0,0,1,0,8,0,-1,308.503,0,628.177,520.109,108.068,0,0,1137.225,1,2,0,0.0031838,0.8387781,34.221,9.773,13.923,3.636,5.349,-5.688,-4.606,-2.333,236.97,-0.943,132.711,-2.743,0,0,1,0.837,3,87.812,0,0,50.879,2,1,0,9,0,9,9,22,0.00114272281800482,0.12,[0.01:0.25],1,0.308,0.557,16.18,[3:36.05],1,0.211,0.457,-4.93,[-5.29:-4.57],1,0.204,0.483,-10.82,[-10.96:-10.64],0,0.237,0.63,1.95,[1.76:2.14],1,0.433,0.695,1.08,[0.56:1.6],0,0.209,0.431,1,1,0.463477056381951,0.577230031003502,0.16,[-0.24:0.56],1,0.317,0.533,3.6,[2.4:4.8],1,0.406,0.331,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,84.3713,0.573,1.609420652,0.919710667,3.31806333496276,1.931218512,0.932527188
O=C(O)CC[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C,"hydrindane,Custom_48,Custom_1",8826,"hydrindane,Custom_48,Custom_1",0,1,0.362,0.575,1,1,0.418,0.56,1,1,0.403,0.643,0,1,0.48,0.669,0,1,0.414,0.655,1,1,0.381,0.565,0,1,3,5,2905,[1600:5200],1,0.542,0.61,2,0.52941176,0,0,0,1,0,4,0,-1,238.369,0,480.46,372.394,108.066,0,0,860.93,1,2,0,0.0041627,0.9109326,25.732,7.468,11.442,4.163,3.59,-3.638,-3.164,-1.166,236.981,-0.546,132.717,-3.127,0,0,1,0.247,3,90.471,0,0,50.879,2,0,0,9,0,9,9,17,0.0409374699434893,0.02,[0.01:0.04],1,0.35,0.737,19.72,[10.12:39.35],1,0.252,0.51,-4.68,[-4.92:-4.44],1,0.264,0.576,-10.78,[-10.95:-10.61],1,0.335,0.674,1.81,[1.54:2.08],1,0.445,0.664,0.71,[0.3:1.13],0,0.233,0.516,1,1,0.481566948876324,0.586274977250688,0.11,[-0.2:0.42],1,0.324,0.563,3.27,[2.55:3.98],1,0.49,0.519,238.193280072,43,17,15,2,0,0,2,0,0.933333333333333,4,2,1,1,37.3,64.3719,0.613,1.568343624,0.914081282,3.46314613672635,1.928734681,0.924826502
O=C(O)CC[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC,"hydrindane,Custom_48,Custom_3",8827,"hydrindane,Custom_48,Custom_3",0,1,0.334,0.57,1,1,0.412,0.555,1,1,0.36,0.609,0,1,0.448,0.631,0,1,0.429,0.65,1,1,0.397,0.582,0,1,3,5,3214,[1800:5700],1,0.478,0.619,2,0.5,0,0,0,1,0,5,0,-1,252.396,0,506.893,399.044,107.849,0,0,912.972,1,2,0,0.0039456,0.8978837,27.173,7.876,11.86,4.004,3.922,-3.954,-3.45,-1.377,238.104,-0.63,133.397,-3.027,0,0,1,0.346,3,92.448,0,0,50.879,2,0,0,9,0,9,9,18,0.0263356470353397,0.02,[0.01:0.03],1,0.357,0.747,19.57,[10.12:38.9],1,0.247,0.509,-4.79,[-5.12:-4.46],1,0.251,0.519,-10.82,[-10.97:-10.65],1,0.312,0.671,1.81,[1.54:2.08],1,0.435,0.662,0.71,[0.3:1.13],0,0.223,0.512,1,1,0.4815731296411,0.586278067633076,0.29,[-0.21:0.79],1,0.341,0.519,3.57,[3.02:4.12],1,0.451,0.534,252.208930136,46,18,16,2,0,0,2,0,0.9375,5,2,1,1,37.3,67.4497,0.613,1.65465485,0.920814116,3.50704587242733,1.974165103,0.935447087
O=C(O)CC[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCC,"hydrindane,Custom_48,Custom_4",8828,"hydrindane,Custom_48,Custom_4",0,1,0.326,0.613,1,1,0.445,0.571,1,1,0.323,0.549,1,1,0.492,0.61,0,1,0.438,0.62,1,1,0.411,0.595,0,1,3,5,3891,[2200:6900],1,0.516,0.725,2,0.47368421,1,0,0,1,0,6,0,-1,266.423,0,537.585,430.125,107.46,0,0,971.02,1,2,0,0.0037203,0.8821384,28.854,8.337,12.336,3.855,4.293,-4.351,-3.738,-1.632,240.138,-0.719,134.629,-2.924,0,0,1,0.463,3,94.688,0,0,50.947,2,0,0,9,0,9,9,19,0.0141557274423291,0.03,[0.02:0.04],1,0.354,0.746,19.55,[10.12:38.66],1,0.24,0.509,-4.81,[-5.14:-4.48],1,0.241,0.512,-10.82,[-10.97:-10.65],1,0.293,0.663,1.82,[1.56:2.08],1,0.47,0.676,0.86,[0.38:1.34],0,0.22,0.483,1,1,0.470648852467571,0.580815929046312,0.42,[0.04:0.84],1,0.346,0.536,2.99,[2.13:3.85],1,0.431,0.447,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,6,2,1,1,37.3,71.9015,0.613,1.624709484,0.918686155,3.59006123080374,1.949404529,0.934024125
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O=C(O)CC[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCC,"hydrindane,Custom_48,Custom_6",8830,"hydrindane,Custom_48,Custom_6",0,1,0.32,0.649,1,1,0.439,0.567,1,1,0.317,0.552,1,1,0.493,0.573,0,1,0.441,0.621,1,1,0.421,0.521,0,1,3,5,3590,[2000:6400],1,0.514,0.487,2,0.45,1,0,0,1,0,7,0,-1,280.45,0,569.181,461.722,107.46,0,0,1029.421,1,2,0,0.0035138,0.8662495,30.549,8.821,12.811,3.71,4.665,-4.766,-4.026,-1.889,240.138,-0.813,134.629,-2.828,0,0,1,0.581,3,96.866,0,0,50.947,2,0,0,9,0,9,9,20,0.00714358847524034,0.03,[0.02:0.04],1,0.352,0.748,19.64,[10.12:38.59],1,0.231,0.507,-4.91,[-5.27:-4.55],1,0.229,0.493,-10.82,[-10.96:-10.65],1,0.278,0.646,1.82,[1.57:2.07],1,0.439,0.673,0.86,[0.38:1.34],0,0.215,0.481,1,1,0.462026877278819,0.576504941451936,0.42,[0.04:0.83],1,0.343,0.536,2.87,[2.06:3.68],1,0.435,0.44,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,74.8131,0.613,1.609420652,0.919710667,3.55509444857832,1.931218512,0.932527188
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O=C(O)CC(C)(C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@H](C)CC,"hydrindane,Custom_51,Custom_12",8911,"hydrindane,Custom_51,Custom_12",1,1,0.251,0.542,1,1,0.444,0.536,1,1,0.269,0.53,0,1,0.488,0.734,1,1,0.427,0.615,1,1,0.733,0.823,0,1,4,5,5712,[3200:10000],1,0.487,0.654,2,0.42857143,1,0,0,1,0,6,0,-1,294.476,0,556.724,467.899,88.824,0,0,1028.023,1,2,0,0.0035924,0.8848315,31.135,8.746,12.959,3.774,4.788,-4.701,-4.316,-1.588,360.727,-0.554,209.002,-2.58,0,0,1,0.622,3,100,0,0,44.69,2,0,0,9,0,9,9,21,0.0154156809851659,0.05,[0:0.12],1,0.34,0.668,22.29,[10.5:40.03],1,0.212,0.514,-4.93,[-5.3:-4.56],1,0.216,0.485,-10.82,[-10.96:-10.64],0,0.243,0.632,1.95,[1.77:2.13],1,0.487,0.715,1.05,[0.51:1.59],0,0.22,0.424,0,1,0.426326095114997,0.519450104196102,0.72,[0.08:1.36],1,0.311,0.45,2.66,[2.13:3.19],1,0.414,0.524,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,6,2,1,1,37.3,82.2581,0.534,1.609420652,0.919710667,3.75678819876812,1.931218512,0.932527188
O=C(O)CC(C)(C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCC(C)C,"hydrindane,Custom_51,Custom_13",8912,"hydrindane,Custom_51,Custom_13",0,1,0.552,0.743,1,1,0.444,0.536,1,1,0.271,0.53,0,1,0.487,0.734,1,1,0.424,0.613,1,1,0.393,0.629,0,1,4,5,5712,[3200:10000],1,0.479,0.654,2,0.42857143,1,0,0,1,0,6,0,-1,294.476,0,562.171,473.346,88.824,0,0,1036.576,1,2,0,0.0035576,0.8811116,31.477,8.81,13.056,3.787,4.843,-4.8,-4.316,-1.648,360.727,-0.561,209.002,-2.58,0,0,1,0.646,3,100,0,0,44.69,2,0,0,9,0,9,9,21,0.0122523659513354,0.12,[0.01:0.25],1,0.322,0.569,22.32,[10.5:40.05],1,0.212,0.514,-4.92,[-5.29:-4.55],1,0.217,0.485,-10.82,[-10.96:-10.64],0,0.243,0.632,1.84,[1.59:2.09],1,0.52,0.7,1.06,[0.52:1.6],0,0.221,0.424,0,1,0.426981338815962,0.519777726046584,0.71,[0.08:1.34],1,0.324,0.455,2.66,[2.12:3.2],1,0.413,0.521,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,6,2,1,1,37.3,83.2185,0.534,1.609420652,0.919710667,3.75678819876812,1.931218512,0.932527188
O=C(O)CC(C)(C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)C(C)C,"hydrindane,Custom_51,Custom_14",8913,"hydrindane,Custom_51,Custom_14",1,1,0.212,0.446,1,1,0.364,0.496,1,1,0.266,0.528,1,1,0.531,0.736,0,1,0.426,0.657,1,1,0.731,0.824,0,1,3,5,3647,[2100:6500],1,0.547,0.743,2,0.42857143,1,0,0,1,0,5,0,-1,294.476,0,539.85,451.026,88.824,0,0,1015.91,1,2,0,0.0037047,0.9053052,31.292,8.728,13.25,3.954,4.714,-4.555,-4.316,-1.257,360.727,-0.46,209.002,-2.676,0,0,1,0.635,3,100,0,0,44.69,2,0,0,9,0,9,9,21,0.0172853960777376,0.06,[0:0.14],1,0.339,0.663,22.32,[10.5:40.05],1,0.21,0.513,-4.92,[-5.29:-4.55],1,0.216,0.485,-10.82,[-10.96:-10.64],0,0.241,0.632,1.84,[1.6:2.08],1,0.532,0.706,1.06,[0.52:1.6],0,0.22,0.424,1,1,0.417934773297718,0.554458889461385,0.73,[0.09:1.37],1,0.286,0.44,2.66,[2.15:3.17],1,0.41,0.535,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,5,2,1,1,37.3,82.8502,0.495,1.609420652,0.919710667,3.56193576331378,1.931218512,0.932527188
O=C(O)CC(C)(C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC(C)(C)C,"hydrindane,Custom_51,Custom_15",8914,"hydrindane,Custom_51,Custom_15",1,0,0.161,0.459,1,1,0.465,0.518,1,1,0.318,0.481,0,1,0.827,0.909,1,1,0.457,0.634,1,1,0.459,0.719,0,1,3,5,3414,[1900:6100],1,0.487,0.72,2,0.42857143,1,0,0,1,0,5,0,-1,294.476,0,543.923,455.099,88.824,0,0,1009.932,1,2,0,0.003677,0.8949988,31.053,8.625,13.053,3.964,4.674,-4.629,-4.316,-1.424,360.727,-0.477,209.002,-2.676,0,0,1,0.616,3,100,0,0,44.69,2,0,0,9,0,9,9,21,0.0145638681452524,0.12,[0.01:0.26],1,0.315,0.557,13.75,[3.15:26.54],1,0.204,0.487,-4.93,[-5.3:-4.56],1,0.213,0.482,-10.82,[-10.96:-10.64],0,0.237,0.63,1.83,[1.58:2.08],1,0.485,0.686,1.06,[0.52:1.6],0,0.223,0.425,1,1,0.42675356975782,0.519663841517514,0.71,[0.07:1.35],1,0.325,0.455,2.66,[2.14:3.18],1,0.4,0.527,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,5,2,1,1,37.3,83.9285,0.494,1.609420652,0.919710667,3.53326351677871,1.931218512,0.932527188
O=C(O)CC(C)(C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)(C)CC,"hydrindane,Custom_51,Custom_16",8915,"hydrindane,Custom_51,Custom_16",0,1,0.186,0.503,1,1,0.345,0.458,1,1,0.277,0.462,1,1,0.518,0.759,0,1,0.423,0.706,1,1,0.732,0.853,0,1,3,5,3414,[1900:6100],1,0.55,0.745,2,0.42857143,1,0,0,1,0,5,0,-1,294.476,0,528.883,440.058,88.824,0,0,990.362,1,2,0,0.0037816,0.9085208,30.27,8.514,12.873,3.928,4.551,-4.355,-4.316,-1.205,360.727,-0.455,209.002,-2.676,0,0,1,0.564,3,100,0,0,44.69,2,0,0,9,0,9,9,21,0.0274054303102063,0.11,[0:0.25],1,0.333,0.567,22.4,[10.5:40.1],1,0.205,0.512,-4.92,[-5.29:-4.55],1,0.213,0.484,-10.82,[-10.96:-10.64],0,0.237,0.63,1.84,[1.59:2.09],1,0.517,0.699,1.33,[0.79:1.87],0,0.219,0.414,0,1,0.417798528444199,0.554390767034626,0.74,[0.1:1.38],0,0.274,0.435,2.67,[2.17:3.17],1,0.402,0.534,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,5,2,1,1,37.3,84.0223,0.494,1.609420652,0.919710667,3.53326351677871,1.931218512,0.932527188
O=C(O)CC(C)(C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCCCC,"hydrindane,Custom_51,Custom_17",8916,"hydrindane,Custom_51,Custom_17",0,1,0.21,0.532,1,1,0.398,0.508,1,1,0.262,0.525,1,1,0.446,0.688,0,1,0.469,0.665,1,1,0.734,0.798,0,1,3,5,3151,[1800:5600],1,0.41,0.459,2,0.40909091,1,0,0,1,0,8,0,-1,308.503,0,608.308,519.483,88.825,0,0,1109.853,1,2,0,0.0032878,0.8522205,33.126,9.402,13.339,3.457,5.309,-5.322,-4.606,-2.116,360.722,-0.734,208.999,-2.388,0,0,1,0.762,3,90.839,0,0,44.69,2,1,0,9,0,9,9,22,0.00600780423171598,0.06,[0.01:0.13],1,0.34,0.677,13.73,[3.15:26.57],1,0.206,0.487,-4.94,[-5.3:-4.58],1,0.205,0.482,-10.82,[-10.96:-10.64],0,0.238,0.63,1.82,[1.57:2.07],1,0.393,0.659,1.33,[0.79:1.87],0,0.218,0.413,0,1,0.428014856013197,0.520294484645202,0.45,[0.04:0.86],1,0.297,0.524,3.6,[2.4:4.8],1,0.409,0.334,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,82.044,0.573,1.609420652,0.919710667,3.498448403174,1.931218512,0.932527188
O=C(O)CC(C)(C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)CCCC,"hydrindane,Custom_51,Custom_18",8917,"hydrindane,Custom_51,Custom_18",1,1,0.205,0.494,1,1,0.398,0.508,1,1,0.257,0.523,1,1,0.491,0.716,0,1,0.434,0.712,1,1,0.741,0.836,0,1,4,5,5464,[3100:9700],1,0.473,0.642,2,0.40909091,1,0,0,1,0,7,0,-1,308.503,0,580.71,491.886,88.824,0,0,1078.679,1,2,0,0.0034441,0.8759256,32.52,9.177,13.39,3.611,5.112,-4.978,-4.606,-1.732,360.727,-0.63,209.002,-2.484,0,0,1,0.721,3,89.689,0,0,44.69,2,1,0,9,0,9,9,22,0.0106481343704204,0.12,[0.01:0.25],1,0.34,0.568,13.73,[3.15:26.56],1,0.204,0.486,-4.94,[-5.3:-4.58],1,0.207,0.482,-10.82,[-10.96:-10.64],0,0.231,0.628,1.95,[1.77:2.13],1,0.429,0.694,1.33,[0.79:1.87],0,0.214,0.412,0,1,0.422927937265617,0.517751025271412,0.73,[0.09:1.37],1,0.279,0.439,3.49,[2.29:4.69],1,0.394,0.33,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,84.7561,0.534,1.609420652,0.919710667,3.73751069067348,1.931218512,0.932527188
O=C(O)CC(C)(C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@@H](C)CCC,"hydrindane,Custom_51,Custom_19",8918,"hydrindane,Custom_51,Custom_19",0,1,0.549,0.743,1,1,0.438,0.528,1,1,0.259,0.524,1,1,0.447,0.688,0,1,0.425,0.656,1,1,0.731,0.853,0,1,3,5,2992,[1700:5300],1,0.478,0.642,2,0.40909091,1,0,0,1,0,7,0,-1,308.503,0,583.981,495.156,88.825,0,0,1086.403,1,2,0,0.0034248,0.8751725,32.829,9.245,13.505,3.619,5.162,-5.038,-4.606,-1.744,360.722,-0.632,208.999,-2.484,0,0,1,0.742,3,89.979,0,0,44.69,2,1,0,9,0,9,9,22,0.00927270896570152,0.12,[0.01:0.25],1,0.337,0.566,13.72,[3.15:26.55],1,0.204,0.486,-4.94,[-5.3:-4.58],1,0.207,0.482,-10.82,[-10.96:-10.64],0,0.231,0.628,1.95,[1.76:2.14],1,0.44,0.697,1.06,[0.52:1.6],0,0.216,0.422,0,1,0.42352832674327,0.518051220010238,0.72,[0.09:1.35],1,0.29,0.444,3.49,[2.29:4.69],1,0.398,0.33,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,86.7099,0.534,1.609420652,0.919710667,3.47596158919242,1.931218512,0.932527188
O=C(O)CC(C)(C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC[C@H](C)CC,"hydrindane,Custom_51,Custom_20",8919,"hydrindane,Custom_51,Custom_20",1,1,0.211,0.498,1,1,0.398,0.508,1,1,0.26,0.524,1,1,0.486,0.723,0,1,0.471,0.688,1,1,0.405,0.634,0,1,3,5,2992,[1700:5300],1,0.48,0.648,2,0.40909091,1,0,0,1,0,7,0,-1,308.503,0,586.09,497.265,88.825,0,0,1085.737,1,2,0,0.0034124,0.8716671,32.802,9.228,13.456,3.624,5.157,-5.076,-4.606,-1.801,360.722,-0.638,208.999,-2.484,0,0,1,0.74,3,89.95,0,0,44.69,2,1,0,9,0,9,9,22,0.00848156700192617,0.12,[0.01:0.25],1,0.332,0.564,13.73,[3.15:26.57],1,0.205,0.486,-4.94,[-5.3:-4.58],1,0.207,0.482,-10.82,[-10.96:-10.64],0,0.231,0.628,1.95,[1.76:2.14],1,0.444,0.699,1.33,[0.79:1.87],0,0.216,0.412,0,1,0.420451297839308,0.516512705558257,0.72,[0.09:1.35],1,0.29,0.444,3.5,[2.3:4.7],1,0.401,0.331,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,86.2963,0.534,1.609420652,0.919710667,3.47596158919242,1.931218512,0.932527188
O=C(O)CC(C)(C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCC(C)C,"hydrindane,Custom_51,Custom_21",8920,"hydrindane,Custom_51,Custom_21",0,1,0.25,0.576,1,1,0.438,0.528,1,1,0.26,0.524,1,1,0.444,0.707,0,1,0.464,0.705,1,1,0.731,0.853,0,1,3,5,2992,[1700:5300],1,0.428,0.637,2,0.40909091,1,0,0,1,0,7,0,-1,308.503,0,594.08,505.256,88.824,0,0,1094.623,1,2,0,0.0033665,0.8646286,33.158,9.29,13.518,3.644,5.213,-5.223,-4.606,-1.915,360.731,-0.65,209.004,-2.484,0,0,1,0.764,3,90.278,0,0,44.69,2,1,0,9,0,9,9,22,0.00604875603192438,0.12,[0.01:0.26],1,0.326,0.558,13.72,[3.15:26.56],1,0.204,0.486,-4.94,[-5.3:-4.57],1,0.207,0.482,-10.82,[-10.96:-10.64],0,0.231,0.628,1.95,[1.76:2.14],1,0.448,0.7,1.33,[0.79:1.87],0,0.215,0.412,0,1,0.422220291430511,0.517397202353859,0.72,[0.09:1.35],1,0.3,0.448,3.51,[2.31:4.71],1,0.402,0.331,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,86.1301,0.534,1.609420652,0.919710667,3.47596158919242,1.931218512,0.932527188
O=C(O)CC(C)(C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)[C@@H](C)CC,"hydrindane,Custom_51,Custom_22",8921,"hydrindane,Custom_51,Custom_22",1,1,0.263,0.444,1,1,0.438,0.527,1,1,0.257,0.523,1,1,0.496,0.713,0,1,0.434,0.712,1,1,0.737,0.827,0,1,4,5,5265,[3000:9400],1,0.499,0.627,2,0.40909091,1,0,0,1,0,6,0,-1,308.503,0,602.435,513.61,88.824,0,0,1094.349,1,2,0,0.0033199,0.852496,33.789,9.258,13.655,3.884,5.209,-5.54,-4.606,-2.111,360.727,-0.613,209.002,-2.58,0,0,1,0.803,3,90.255,0,0,44.69,2,1,0,9,0,9,9,22,0.00233991425780331,0.12,[0.01:0.26],1,0.345,0.567,13.73,[3.15:26.57],1,0.202,0.485,-4.94,[-5.3:-4.58],1,0.208,0.482,-10.82,[-10.96:-10.64],0,0.229,0.627,1.95,[1.77:2.13],1,0.443,0.699,1.06,[0.52:1.6],0,0.216,0.422,1,1,0.412433114997437,0.551708060311245,0.95,[0.06:1.84],0,0.258,0.359,3.42,[2.23:4.61],1,0.38,0.327,308.271530392001,58,22,20,2,0,0,2,0,0.95,6,2,1,1,37.3,85.928,0.495,1.609420652,0.919710667,3.72139837552151,1.931218512,0.932527188
O=C(O)CC(C)(C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@@H](C)C(C)C,"hydrindane,Custom_51,Custom_23",8922,"hydrindane,Custom_51,Custom_23",1,1,0.207,0.495,1,1,0.398,0.507,1,1,0.262,0.525,1,1,0.533,0.742,0,1,0.471,0.685,1,1,0.408,0.636,0,1,4,5,5265,[3000:9400],1,0.497,0.625,2,0.40909091,1,0,0,1,0,6,0,-1,308.503,0,569.328,480.504,88.824,0,0,1067.189,1,2,0,0.0035129,0.8870807,32.702,9.111,13.605,3.805,5.04,-4.932,-4.606,-1.552,360.731,-0.551,209.004,-2.58,0,0,1,0.733,3,89.268,0,0,44.69,2,1,0,9,0,9,9,22,0.00949019411984905,0.12,[0.01:0.26],1,0.336,0.562,13.73,[3.15:26.58],1,0.202,0.485,-4.93,[-5.3:-4.56],1,0.208,0.482,-10.82,[-10.96:-10.64],0,0.229,0.627,1.95,[1.76:2.14],1,0.458,0.704,1.06,[0.52:1.6],0,0.218,0.423,1,1,0.41448776362228,0.552735384623667,0.73,[0.09:1.37],1,0.28,0.439,3.42,[2.22:4.62],1,0.388,0.329,308.271530392001,58,22,20,2,0,0,2,0,0.95,6,2,1,1,37.3,87.7156,0.495,1.609420652,0.919710667,3.72139837552151,1.931218512,0.932527188
O=C(O)CC(C)(C)[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)(C)CCC,"hydrindane,Custom_51,Custom_24",8923,"hydrindane,Custom_51,Custom_24",1,0,0.185,0.474,1,1,0.384,0.478,1,1,0.27,0.457,1,1,0.492,0.731,0,1,0.469,0.684,1,1,0.733,0.859,0,1,4,5,5179,[2900:9200],1,0.58,0.673,2,0.40909091,1,0,0,1,0,6,0,-1,308.503,0,560.517,471.693,88.824,0,0,1048.834,1,2,0,0.0035681,0.8906644,31.968,8.96,13.349,3.783,4.923,-4.77,-4.606,-1.494,360.727,-0.545,209.002,-2.58,0,0,1,0.682,3,100,0,0,44.69,2,0,0,9,0,9,9,22,0.0137631502769001,0.12,[0.01:0.26],1,0.346,0.565,13.71,[3.15:26.56],0,0.198,0.484,-4.94,[-5.3:-4.57],1,0.205,0.481,-10.82,[-10.96:-10.64],0,0.225,0.626,1.95,[1.76:2.14],1,0.448,0.7,1.33,[0.79:1.87],0,0.215,0.413,0,1,0.403219850201252,0.50789698173923,0.95,[0.06:1.84],0,0.258,0.359,3.43,[2.23:4.63],1,0.371,0.324,308.271530392001,58,22,20,2,0,0,2,0,0.95,6,2,1,1,37.3,87.3475,0.494,1.609420652,0.919710667,3.71424591101789,1.931218512,0.932527188
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O=C(O)C(C)(C)C[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)(C)C,"hydrindane,Custom_52,Custom_9",8933,"hydrindane,Custom_52,Custom_9",1,0,0.199,0.444,1,1,0.465,0.518,1,1,0.327,0.483,1,1,0.854,0.794,0,1,0.417,0.673,1,1,0.437,0.682,0,1,3,5,3321,[1900:5900],1,0.399,0.478,2,0.45,1,0,0,1,0,4,0,-1,280.45,0,547.076,477.894,69.182,0,0,1030.104,1,2,0,0.0036558,0.9016501,32.502,8.7,13.399,4.059,4.941,-4.85,-4.026,-1.316,553.925,-0.245,332.268,-2.41,0,0,0,0.716,3,100,0,0,42.326,2,0,0,9,0,9,9,20,0.0154047346815845,0.06,[0.01:0.13],1,0.323,0.658,23.38,[10.5:41.11],1,0.213,0.514,-4.81,[-5.15:-4.47],1,0.238,0.507,-10.76,[-10.96:-10.55],0,0.258,0.628,1.84,[1.6:2.08],1,0.639,0.742,1.33,[0.79:1.87],0,0.236,0.42,1,1,0.435073122668742,0.499290724782517,0.72,[0.08:1.36],1,0.366,0.468,2.98,[2.41:3.55],1,0.421,0.588,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,4,2,1,1,37.3,78.6092,0.494,1.609420652,0.919710667,3.52126887559839,1.931218512,0.932527188
O=C(O)C(C)(C)C[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCCC,"hydrindane,Custom_52,Custom_10",8934,"hydrindane,Custom_52,Custom_10",1,1,0.213,0.541,1,1,0.404,0.516,1,1,0.267,0.529,1,1,0.494,0.612,0,1,0.424,0.666,1,1,0.398,0.531,0,1,3,5,3577,[2000:6400],1,0.726,0.753,2,0.42857143,2,0,0,1,0,7,0,-1,294.476,0,530.156,479.007,51.15,0,0,1013.691,1,2,0,0.0037725,0.9205165,29.919,8.522,12.187,3.233,4.964,-4.052,-4.316,-1.011,821.197,-0.261,508.529,-1.79,0,0,0,0.546,3,100,0,0,36.485,2,0,0,9,0,9,9,21,0.423227054533499,0.06,[0.01:0.13],1,0.343,0.678,23.22,[10.5:40.88],1,0.218,0.516,-4.86,[-5.19:-4.53],1,0.221,0.501,-10.76,[-10.96:-10.55],0,0.264,0.63,1.82,[1.56:2.08],1,0.484,0.683,1.33,[0.79:1.87],0,0.237,0.421,1,1,0.461910907407744,0.537242510342475,0.44,[0.04:0.85],1,0.365,0.547,3.27,[2.18:4.36],1,0.422,0.356,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,78.5677,0.573,1.609420652,0.919710667,3.55351894014897,1.931218512,0.932527188
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O=C(O)C(C)(C)C[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC(C)(C)C,"hydrindane,Custom_52,Custom_15",8939,"hydrindane,Custom_52,Custom_15",1,0,0.163,0.46,1,1,0.465,0.518,1,1,0.308,0.475,1,1,0.503,0.594,0,1,0.426,0.686,1,1,0.401,0.65,0,1,3,5,3427,[1900:6100],1,0.563,0.744,2,0.42857143,2,0,0,1,0,5,0,-1,294.476,0,548.965,473.943,75.022,0,0,1020.532,1,2,0,0.0036432,0.8929719,31.477,8.615,12.976,3.882,4.837,-4.721,-4.316,-1.456,487.601,-0.365,289.482,-2.422,0,0,0,0.645,3,100,0,0,42.326,2,0,0,9,0,9,9,21,0.0211577812323344,0.06,[0:0.14],1,0.307,0.652,16.07,[3:36.2],1,0.207,0.454,-4.93,[-5.3:-4.56],1,0.232,0.488,-10.76,[-10.96:-10.55],0,0.246,0.624,1.84,[1.59:2.09],1,0.542,0.706,1.33,[0.79:1.87],0,0.24,0.421,0,1,0.437819670463821,0.500663998680056,0.43,[0.04:0.84],1,0.368,0.547,2.66,[2.14:3.18],1,0.403,0.526,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,5,2,1,1,37.3,83.3638,0.494,1.609420652,0.919710667,3.53491410442987,1.931218512,0.932527188
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O=C(O)C(C)(C)C[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCCCC,"hydrindane,Custom_52,Custom_17",8941,"hydrindane,Custom_52,Custom_17",1,1,0.249,0.561,1,1,0.438,0.528,1,1,0.258,0.523,1,1,0.493,0.612,0,1,0.427,0.667,1,1,0.403,0.533,0,1,3,5,3719,[2100:6600],1,0.383,0.447,2,0.40909091,2,0,0,1,0,8,0,-1,308.503,0,611.709,538.51,73.199,0,0,1118.394,1,2,0,0.0032695,0.8518239,33.467,9.37,13.214,3.359,5.472,-5.385,-4.606,-2.122,507.401,-0.591,302.209,-2.1,0,0,0,0.786,3,94.446,0,0,42.187,2,1,0,9,0,9,9,22,0.0100940322782901,0.06,[0.01:0.13],1,0.345,0.681,16.11,[3:36.11],1,0.209,0.456,-5.04,[-5.27:-4.81],1,0.211,0.545,-10.76,[-10.96:-10.55],0,0.253,0.626,1.82,[1.57:2.07],1,0.42,0.668,1.33,[0.79:1.87],0,0.235,0.42,1,1,0.454651614965703,0.533612864121455,0.32,[-0.22:0.86],1,0.334,0.505,3.61,[2.41:4.81],1,0.414,0.335,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,81.4793,0.573,1.609420652,0.919710667,3.57042617835897,1.931218512,0.932527188
O=C(O)C(C)(C)C[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)CCCC,"hydrindane,Custom_52,Custom_18",8942,"hydrindane,Custom_52,Custom_18",1,1,0.207,0.494,1,1,0.398,0.508,1,1,0.255,0.522,1,1,0.535,0.657,0,1,0.425,0.703,1,1,0.401,0.617,0,1,3,5,3006,[1700:5300],1,0.368,0.635,2,0.40909091,2,0,0,1,0,7,0,-1,308.503,0,573.832,517.655,56.177,0,0,1074.467,1,2,0,0.0034853,0.8841153,32.351,8.936,12.878,3.373,5.313,-4.851,-4.606,-1.6,735.829,-0.337,451.637,-1.883,0,0,0,0.71,3,96.403,0,0,36.485,2,1,0,9,0,9,9,22,0.0569091887496113,0.06,[0:0.14],1,0.341,0.667,14.06,[3:27.34],1,0.205,0.492,-4.94,[-5.3:-4.57],1,0.213,0.484,-10.76,[-10.96:-10.55],0,0.246,0.624,1.83,[1.57:2.09],1,0.467,0.678,1.33,[0.79:1.87],0,0.23,0.418,1,1,0.446243566403859,0.529408839840533,0.44,[0.04:0.85],1,0.32,0.532,3.5,[2.3:4.7],1,0.401,0.332,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,84.1914,0.534,1.609420652,0.919710667,3.47798897625089,1.931218512,0.932527188
O=C(O)C(C)(C)C[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@@H](C)CCC,"hydrindane,Custom_52,Custom_19",8943,"hydrindane,Custom_52,Custom_19",0,1,0.207,0.542,1,1,0.398,0.508,1,1,0.253,0.521,1,1,0.538,0.649,0,1,0.429,0.684,1,1,0.413,0.669,0,1,3,5,3006,[1700:5300],1,0.405,0.62,2,0.40909091,2,0,0,1,0,7,0,-1,308.503,0,583.374,524.801,58.573,0,0,1078.932,1,2,0,0.0034283,0.8720615,32.53,8.954,12.859,3.412,5.323,-5.026,-4.606,-1.795,698.318,-0.372,426.803,-1.927,0,0,0,0.721,3,96.055,0,0,36.485,2,1,0,9,0,9,9,22,0.034347294432097,0.12,[0.01:0.25],1,0.334,0.575,14.09,[3:27.39],1,0.206,0.492,-4.98,[-5.3:-4.63],1,0.216,0.494,-10.76,[-10.96:-10.55],0,0.246,0.624,1.83,[1.58:2.08],1,0.484,0.685,1.33,[0.79:1.87],0,0.234,0.419,1,1,0.448734839959439,0.530654476618323,0.44,[0.04:0.85],1,0.33,0.536,3.5,[2.3:4.7],1,0.404,0.332,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,86.1452,0.534,1.609420652,0.919710667,3.47798897625089,1.931218512,0.932527188
O=C(O)C(C)(C)C[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC[C@H](C)CC,"hydrindane,Custom_52,Custom_20",8944,"hydrindane,Custom_52,Custom_20",1,1,0.21,0.497,1,1,0.398,0.508,1,1,0.256,0.522,1,1,0.452,0.589,0,1,0.423,0.666,1,1,0.394,0.487,0,1,3,5,3005,[1700:5300],1,0.459,0.648,2,0.40909091,2,0,0,1,0,7,0,-1,308.503,0,586.96,514.487,72.473,0,0,1092.806,1,2,0,0.0034074,0.8741488,33.085,9.185,13.328,3.515,5.316,-5.092,-4.606,-1.761,515.513,-0.491,307.434,-2.183,0,0,0,0.76,3,93.657,0,0,42.318,2,1,0,9,0,9,9,22,0.0163630734590934,0.12,[0.01:0.25],1,0.327,0.573,14.09,[3:27.4],1,0.206,0.492,-4.94,[-5.3:-4.57],1,0.213,0.484,-10.76,[-10.96:-10.55],0,0.246,0.624,1.83,[1.58:2.08],1,0.491,0.688,1.33,[0.79:1.87],0,0.234,0.419,1,1,0.456016690271676,0.534295401774442,0.44,[0.04:0.85],1,0.33,0.536,3.51,[2.31:4.71],1,0.406,0.332,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,85.7316,0.534,1.609420652,0.919710667,3.47784447633876,1.931218512,0.932527188
O=C(O)C(C)(C)C[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCC(C)C,"hydrindane,Custom_52,Custom_21",8945,"hydrindane,Custom_52,Custom_21",0,1,0.21,0.543,1,1,0.398,0.508,1,1,0.256,0.523,1,1,0.536,0.59,0,1,0.429,0.683,1,1,0.406,0.578,0,1,3,5,3005,[1700:5300],1,0.398,0.645,2,0.40909091,2,0,0,1,0,7,0,-1,308.503,0,581.578,523.128,58.45,0,0,1078.25,1,2,0,0.0034389,0.8743866,32.503,8.954,12.871,3.407,5.319,-4.993,-4.606,-1.757,700.193,-0.368,428.042,-1.925,0,0,0,0.719,3,96.058,0,0,36.485,2,1,0,9,0,9,9,22,0.037250907742543,0.12,[0.01:0.25],1,0.319,0.569,16.06,[3:36.08],1,0.207,0.454,-4.94,[-5.3:-4.57],1,0.215,0.484,-10.76,[-10.96:-10.55],0,0.246,0.624,1.83,[1.58:2.08],1,0.5,0.692,1.33,[0.79:1.87],0,0.232,0.419,1,1,0.458062656794639,0.535318385035923,0.33,[-0.21:0.87],1,0.338,0.507,3.52,[2.32:4.72],1,0.407,0.332,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,85.5654,0.534,1.609420652,0.919710667,3.47784447633876,1.931218512,0.932527188
O=C(O)C(C)(C)C[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)[C@@H](C)CC,"hydrindane,Custom_52,Custom_22",8946,"hydrindane,Custom_52,Custom_22",1,1,0.265,0.438,1,1,0.398,0.507,1,1,0.254,0.521,1,1,0.497,0.708,0,1,0.426,0.713,1,1,0.406,0.703,0,1,4,5,5276,[3000:9400],1,0.436,0.608,2,0.40909091,2,0,0,1,0,6,0,-1,308.503,0,599.515,542.431,57.084,0,0,1088.184,1,2,0,0.003336,0.8534273,33.543,8.979,13.051,3.661,5.389,-5.486,-4.606,-2.096,721.398,-0.321,442.071,-1.995,0,0,0,0.786,3,96.698,0,0,36.485,2,1,0,9,0,9,9,22,0.0101832235494267,0.06,[0:0.14],1,0.347,0.668,14.02,[3:27.31],1,0.202,0.49,-4.93,[-5.3:-4.56],1,0.214,0.484,-10.76,[-10.96:-10.55],0,0.243,0.623,1.83,[1.58:2.08],1,0.487,0.686,1.33,[0.79:1.87],0,0.233,0.419,1,1,0.439842067035483,0.526208090156345,0.72,[0.09:1.35],1,0.297,0.446,3.43,[2.23:4.63],1,0.387,0.329,308.271530392001,58,22,20,2,0,0,2,0,0.95,6,2,1,1,37.3,85.3633,0.495,1.609420652,0.919710667,3.72230478687433,1.931218512,0.932527188
O=C(O)C(C)(C)C[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@@H](C)C(C)C,"hydrindane,Custom_52,Custom_23",8947,"hydrindane,Custom_52,Custom_23",1,1,0.208,0.495,1,1,0.398,0.507,1,1,0.256,0.522,1,1,0.491,0.687,0,1,0.425,0.687,1,1,0.395,0.488,0,1,4,5,5275,[3000:9400],1,0.457,0.623,2,0.40909091,2,0,0,1,0,6,0,-1,308.503,0,564.686,506.113,58.573,0,0,1064.138,1,2,0,0.0035418,0.8926685,32.58,8.892,13.121,3.588,5.231,-4.846,-4.606,-1.461,698.318,-0.288,426.803,-2.023,0,0,0,0.725,3,95.519,0,0,36.485,2,1,0,9,0,9,9,22,0.0416761859574394,0.12,[0.01:0.25],1,0.328,0.572,14.03,[3:27.35],1,0.203,0.49,-4.93,[-5.3:-4.56],1,0.216,0.485,-10.76,[-10.96:-10.55],0,0.243,0.623,1.83,[1.58:2.08],1,0.514,0.697,1.33,[0.79:1.87],0,0.236,0.42,1,1,0.443869595956018,0.528221854616613,0.44,[0.04:0.85],1,0.32,0.532,3.43,[2.23:4.63],1,0.393,0.33,308.271530392001,58,22,20,2,0,0,2,0,0.95,6,2,1,1,37.3,87.1509,0.495,1.609420652,0.919710667,3.72222246396973,1.931218512,0.932527188
O=C(O)C(C)(C)C[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)(C)CCC,"hydrindane,Custom_52,Custom_24",8948,"hydrindane,Custom_52,Custom_24",1,0,0.189,0.479,1,1,0.384,0.478,1,1,0.268,0.458,1,1,0.491,0.726,0,1,0.432,0.716,1,1,0.417,0.706,0,1,4,5,5191,[2900:9200],1,0.435,0.611,2,0.40909091,2,0,0,1,0,6,0,-1,308.503,0,575.013,522.99,52.023,0,0,1087.315,1,2,0,0.0034782,0.8893193,33.508,9.041,13.349,3.568,5.425,-5.036,-4.606,-1.515,805.684,-0.237,498.153,-1.902,0,0,0,0.79,3,100,0,0,36.082,2,1,0,9,0,9,9,22,0.0355843506037139,0.12,[0:0.26],1,0.341,0.569,15.81,[3:34.9],0,0.198,0.459,-4.94,[-5.3:-4.57],1,0.216,0.484,-10.76,[-10.96:-10.55],0,0.235,0.62,1.83,[1.58:2.08],1,0.499,0.691,1.34,[0.8:1.88],0,0.23,0.418,1,1,0.425104446659508,0.55804372614228,0.72,[0.09:1.35],1,0.299,0.446,3.43,[2.23:4.63],1,0.379,0.327,308.271530392001,58,22,20,2,0,0,2,0,0.95,6,2,1,1,37.3,86.7828,0.494,1.609420652,0.919710667,3.71525102887885,1.931218512,0.932527188
O=C(O)C(C)(C)C[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC(C)(C)CC,"hydrindane,Custom_52,Custom_25",8949,"hydrindane,Custom_52,Custom_25",1,0,0.152,0.452,1,1,0.464,0.518,1,1,0.261,0.456,1,1,0.459,0.689,0,1,0.431,0.7,1,1,0.408,0.579,0,1,4,5,5190,[2900:9200],1,0.44,0.614,2,0.40909091,2,0,0,1,0,6,0,-1,308.503,0,559.504,499.605,59.9,0,0,1047.565,1,2,0,0.0035746,0.8915571,31.917,8.748,12.867,3.584,5.115,-4.752,-4.606,-1.479,678.38,-0.3,413.647,-2.047,0,0,0,0.678,3,94.616,0,0,36.485,2,1,0,9,0,9,9,22,0.0490176035632609,0.12,[0.01:0.26],1,0.321,0.558,14.01,[3:27.35],0,0.199,0.489,-4.94,[-5.3:-4.57],1,0.218,0.484,-10.76,[-10.96:-10.55],0,0.235,0.62,1.83,[1.58:2.08],1,0.486,0.686,1.33,[0.79:1.87],0,0.237,0.42,1,1,0.431775857319583,0.522174985298395,0.44,[0.04:0.85],1,0.321,0.532,3.43,[2.23:4.63],1,0.386,0.328,308.271530392001,58,22,20,2,0,0,2,0,0.95,6,2,1,1,37.3,88.2122,0.494,1.609420652,0.919710667,3.71516735784846,1.931218512,0.932527188
O=C(O)C(C)(C)C[C@@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCC(C)(C)C,"hydrindane,Custom_52,Custom_26",8950,"hydrindane,Custom_52,Custom_26",1,0,0.161,0.48,1,1,0.424,0.498,1,1,0.304,0.473,1,1,0.493,0.645,0,1,0.424,0.656,1,1,0.431,0.709,0,1,4,5,5190,[2900:9200],1,0.451,0.622,2,0.40909091,2,0,0,1,0,6,0,-1,308.503,0,582.647,509.307,73.339,0,0,1090.494,1,2,0,0.0034326,0.8793776,33.635,9.186,13.642,3.731,5.296,-5.176,-4.606,-1.676,505.852,-0.43,301.212,-2.295,0,0,0,0.797,3,93.393,0,0,42.326,2,1,0,9,0,9,9,22,0.0104303428272151,0.12,[0.01:0.26],1,0.305,0.552,15.79,[3:34.81],0,0.2,0.46,-4.93,[-5.3:-4.56],1,0.218,0.485,-10.76,[-10.96:-10.55],0,0.235,0.62,1.83,[1.58:2.08],1,0.47,0.68,1.33,[0.79:1.87],0,0.236,0.421,0,1,0.438654695530523,0.501081511213407,0.44,[0.04:0.85],1,0.344,0.541,3.44,[2.24:4.64],1,0.388,0.328,308.271530392001,58,22,20,2,0,0,2,0,0.95,6,2,1,1,37.3,87.9264,0.494,1.609420652,0.919710667,3.71516735784846,1.931218512,0.932527188
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O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)CC(C)C,"hydrindane,,Custom_8",9057,"hydrindane,,Custom_8",0,1,0.289,0.63,1,1,0.451,0.575,1,1,0.377,0.622,0,1,0.448,0.652,0,1,0.438,0.626,1,1,0.405,0.535,0,1,4,5,5655,[3200:10000],1,0.459,0.573,2,0.5,0,0,0,1,0,4,0,-1,252.396,0,506.956,419.305,87.652,0,0,908.657,1,2,0,0.0039451,0.8949413,27.642,7.677,11.714,4.088,4.033,-4.118,-3.45,-1.424,370.082,-0.407,214.867,-2.751,0,0,1,0.376,3,96.529,0,0,46.307,2,0,0,9,0,9,9,18,0.0341054355161084,0.02,[0.01:0.03],1,0.361,0.746,19.4,[10.12:38.87],1,0.252,0.51,-4.62,[-4.9:-4.34],1,0.271,0.562,-10.82,[-10.97:-10.65],1,0.308,0.669,1.81,[1.54:2.08],1,0.496,0.682,0.81,[0.3:1.34],0,0.246,0.465,1,1,0.489300568917496,0.590141787271274,0.39,[-0.04:0.84],1,0.368,0.532,3.49,[3:3.98],1,0.465,0.556,252.208930136,46,18,16,2,0,0,2,0,0.9375,4,2,1,1,37.3,69.5904,0.574,1.65465485,0.920814116,3.75243260926147,1.974165103,0.935447087
O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)C(C)(C)C,"hydrindane,,Custom_9",9058,"hydrindane,,Custom_9",1,1,0.266,0.494,1,1,0.428,0.521,1,1,0.279,0.545,1,1,0.815,0.786,0,1,0.424,0.63,1,1,0.394,0.613,0,1,4,5,5196,[2900:9200],1,0.451,0.576,2,0.5,0,0,0,1,0,3,0,-1,252.396,0,498.965,411.313,87.652,0,0,895.401,1,2,0,0.0040083,0.9004094,27.754,7.583,11.836,4.289,3.973,-4.167,-3.45,-1.336,370.082,-0.338,214.867,-2.847,0,0,1,0.383,3,96.178,0,0,46.307,2,0,0,9,0,9,9,18,0.0262504779810264,0.03,[0.01:0.05],1,0.359,0.738,19.47,[10.12:38.86],1,0.242,0.507,-4.62,[-4.89:-4.35],1,0.268,0.563,-10.82,[-10.97:-10.65],1,0.288,0.661,1.82,[1.56:2.08],1,0.552,0.703,0.81,[0.3:1.34],0,0.239,0.463,1,1,0.471350352494014,0.581166679059533,0.74,[0.09:1.39],1,0.364,0.455,3.33,[2.77:3.89],1,0.465,0.569,252.208930136,46,18,16,2,0,0,2,0,0.9375,3,2,1,1,37.3,69.584,0.534,1.65465485,0.920814116,3.71566914240099,1.974165103,0.935447087
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O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)CCCCCC,"hydrindane,,Custom_17",9066,"hydrindane,,Custom_17",0,1,0.322,0.65,1,1,0.439,0.567,1,1,0.287,0.548,1,1,0.533,0.618,0,1,0.447,0.632,1,1,0.419,0.512,0,1,3,5,3563,[2000:6300],1,0.507,0.483,2,0.45,1,0,0,1,0,7,0,-1,280.45,0,584.678,497.026,87.652,0,0,1042.464,1,2,0,0.0034207,0.8503979,31.071,8.757,12.519,3.613,4.883,-5.05,-4.026,-2.145,370.082,-0.666,214.867,-2.463,0,0,1,0.614,3,100,0,0,46.307,2,0,0,9,0,9,9,20,0.00860243184041597,0.02,[0:0.04],1,0.368,0.758,19.46,[10.12:38.51],1,0.238,0.508,-4.74,[-5.13:-4.35],1,0.233,0.479,-10.82,[-10.96:-10.65],1,0.283,0.648,1.81,[1.55:2.07],1,0.395,0.657,1.33,[0.79:1.87],0,0.237,0.42,1,1,0.467667432592706,0.579325219108879,0.43,[0.04:0.84],1,0.373,0.548,2.87,[2.07:3.67],1,0.442,0.443,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,72.4541,0.613,1.609420652,0.919710667,3.55181582235102,1.931218512,0.932527188
O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)[C@H](C)CCCC,"hydrindane,,Custom_18",9067,"hydrindane,,Custom_18",0,1,0.309,0.605,1,1,0.398,0.547,1,1,0.323,0.552,1,1,0.492,0.618,1,1,0.442,0.618,1,1,0.421,0.565,0,1,4,5,6394,[3600:11000],1,0.43,0.697,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,562.878,476.711,86.167,0,0,1015.934,1,2,0,0.0035532,0.8682825,30.651,8.552,12.552,3.771,4.726,-4.813,-4.026,-1.856,382.278,-0.56,222.53,-2.531,0,0,1,0.586,3,100,0,0,45.477,2,0,0,9,0,9,9,20,0.0126778325863503,0.03,[0.02:0.04],1,0.363,0.752,19.47,[10.12:38.5],1,0.233,0.507,-4.74,[-5.13:-4.35],1,0.237,0.48,-10.82,[-10.96:-10.65],1,0.273,0.644,1.81,[1.56:2.06],1,0.453,0.678,1.08,[0.44:1.72],0,0.232,0.393,1,1,0.464917942842404,0.577950474233729,0.44,[0.04:0.85],1,0.355,0.542,2.64,[2.13:3.15],1,0.438,0.538,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,75.1662,0.574,1.609420652,0.919710667,3.80577263193567,1.931218512,0.932527188
O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)C[C@@H](C)CCC,"hydrindane,,Custom_19",9068,"hydrindane,,Custom_19",0,1,0.282,0.628,1,1,0.438,0.567,1,1,0.321,0.551,1,1,0.493,0.595,0,1,0.446,0.627,1,1,0.42,0.63,0,1,4,5,6394,[3600:11000],1,0.432,0.694,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,561.469,474.025,87.444,0,0,1014.876,1,2,0,0.0035621,0.8698565,30.609,8.556,12.573,3.776,4.711,-4.788,-4.026,-1.83,371.763,-0.569,215.922,-2.555,0,0,1,0.583,3,100,0,0,46.376,2,0,0,9,0,9,9,20,0.0127439961447521,0.03,[0.02:0.04],1,0.356,0.749,19.48,[10.12:38.53],1,0.235,0.507,-4.74,[-5.13:-4.35],1,0.24,0.481,-10.82,[-10.96:-10.65],1,0.273,0.644,1.82,[1.56:2.08],1,0.484,0.682,0.81,[0.3:1.34],0,0.236,0.462,1,1,0.469176521863985,0.580079763744519,0.44,[0.04:0.85],1,0.366,0.546,2.94,[2:3.91],1,0.436,0.409,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,77.12,0.574,1.609420652,0.919710667,3.80577263193567,1.931218512,0.932527188
O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)CC[C@H](C)CC,"hydrindane,,Custom_20",9069,"hydrindane,,Custom_20",0,1,0.317,0.607,1,1,0.398,0.547,1,1,0.283,0.551,1,1,0.491,0.62,0,1,0.44,0.622,1,1,0.408,0.506,0,1,4,5,6393,[3600:11000],1,0.433,0.696,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,566.751,479.307,87.444,0,0,1018.937,1,2,0,0.0035289,0.8640474,30.771,8.574,12.575,3.789,4.736,-4.884,-4.026,-1.924,371.763,-0.579,215.922,-2.555,0,0,1,0.593,3,100,0,0,46.376,2,0,0,9,0,9,9,20,0.010198501728401,0.03,[0.02:0.04],1,0.349,0.744,19.51,[10.12:38.56],1,0.235,0.507,-4.74,[-5.13:-4.35],1,0.235,0.481,-10.82,[-10.96:-10.65],1,0.273,0.644,1.82,[1.56:2.08],1,0.503,0.689,0.81,[0.3:1.34],0,0.235,0.462,1,1,0.475106975378417,0.583044990501735,0.44,[0.04:0.85],1,0.368,0.547,2.83,[2.06:3.6],1,0.439,0.455,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,76.7064,0.574,1.609420652,0.919710667,3.80570470443386,1.931218512,0.932527188
O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)CCCC(C)C,"hydrindane,,Custom_21",9070,"hydrindane,,Custom_21",0,1,0.288,0.63,1,1,0.438,0.567,1,1,0.283,0.549,1,1,0.534,0.596,0,1,0.445,0.632,1,1,0.425,0.551,0,1,4,5,6393,[3600:11000],1,0.443,0.699,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,571.441,483.996,87.444,0,0,1026.758,1,2,0,0.0034999,0.8613362,31.084,8.639,12.669,3.8,4.786,-4.97,-4.026,-1.968,371.763,-0.584,215.922,-2.555,0,0,1,0.615,3,100,0,0,46.376,2,0,0,9,0,9,9,20,0.00836690311176962,0.03,[0.02:0.04],1,0.339,0.741,19.51,[10.12:38.56],1,0.235,0.507,-4.81,[-5.15:-4.47],1,0.237,0.508,-10.82,[-10.96:-10.65],1,0.273,0.644,1.83,[1.58:2.08],1,0.542,0.705,1.33,[0.79:1.87],0,0.233,0.419,1,1,0.477298532808676,0.584140769216864,0.44,[0.04:0.85],1,0.378,0.55,2.83,[2.05:3.61],1,0.437,0.452,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,76.5402,0.574,1.609420652,0.919710667,3.80570470443386,1.931218512,0.932527188
O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)[C@H](C)[C@@H](C)CC,"hydrindane,,Custom_22",9071,"hydrindane,,Custom_22",0,1,0.615,0.762,1,1,0.397,0.546,1,1,0.322,0.547,1,1,0.526,0.61,1,1,0.441,0.617,1,1,0.414,0.604,0,1,3,5,3412,[1900:6100],1,0.436,0.592,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,547.471,460.027,87.444,0,0,993.421,1,2,0,0.0036532,0.8794801,30.392,8.394,12.614,3.963,4.575,-4.694,-4.026,-1.675,371.763,-0.492,215.922,-2.651,0,0,1,0.567,3,100,0,0,46.376,2,0,0,9,0,9,9,20,0.0126665071599278,0.03,[0.02:0.04],1,0.368,0.75,19.52,[10.12:38.56],1,0.23,0.505,-4.73,[-5.12:-4.34],1,0.237,0.481,-10.82,[-10.96:-10.65],1,0.269,0.642,1.81,[1.56:2.06],1,0.472,0.685,0.81,[0.3:1.34],0,0.235,0.462,1,1,0.460551214009546,0.536562663643377,0.71,[0.07:1.35],1,0.326,0.453,2.72,[2.11:3.33],1,0.441,0.521,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,76.3381,0.535,1.609420652,0.919710667,3.53300902249549,1.931218512,0.932527188
O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)C[C@@H](C)C(C)C,"hydrindane,,Custom_23",9072,"hydrindane,,Custom_23",0,1,0.312,0.606,1,1,0.397,0.546,1,1,0.288,0.55,1,1,0.526,0.649,1,1,0.441,0.617,1,1,0.408,0.507,0,1,3,5,3413,[1900:6100],1,0.444,0.605,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,550.347,462.695,87.652,0,0,1002.924,1,2,0,0.0036341,0.8804546,30.773,8.488,12.777,3.971,4.635,-4.747,-4.026,-1.659,370.082,-0.492,214.867,-2.655,0,0,1,0.594,3,100,0,0,46.307,2,0,0,9,0,9,9,20,0.0111235389636189,0.03,[0.02:0.04],1,0.351,0.744,19.55,[10.12:38.6],1,0.231,0.506,-4.62,[-4.9:-4.34],1,0.239,0.549,-10.82,[-10.96:-10.65],1,0.269,0.642,1.83,[1.58:2.08],1,0.549,0.707,0.81,[0.3:1.34],0,0.238,0.463,1,1,0.472504621939421,0.581743813782237,0.43,[0.04:0.84],1,0.354,0.541,2.71,[2.09:3.33],1,0.436,0.515,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,78.1257,0.535,1.609420652,0.919710667,3.53313628827864,1.931218512,0.932527188
O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)C(C)(C)CCC,"hydrindane,,Custom_24",9073,"hydrindane,,Custom_24",1,1,0.308,0.497,1,1,0.411,0.513,1,1,0.272,0.539,1,1,0.532,0.716,0,1,0.439,0.671,1,1,0.406,0.638,0,1,3,5,3420,[1900:6100],1,0.436,0.592,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,548.217,460.566,87.652,0,0,993.289,1,2,0,0.0036482,0.8782051,30.387,8.389,12.602,3.966,4.572,-4.708,-4.026,-1.695,370.082,-0.496,214.867,-2.655,0,0,1,0.567,3,100,0,0,46.307,2,0,0,9,0,9,9,20,0.0121672079235256,0.03,[0.02:0.04],1,0.358,0.747,19.56,[10.09:38.59],1,0.224,0.505,-4.74,[-5.13:-4.35],1,0.237,0.48,-10.82,[-10.96:-10.64],0,0.258,0.638,1.83,[1.58:2.08],1,0.542,0.705,1.08,[0.44:1.72],0,0.232,0.393,1,1,0.449699293847479,0.531136703562343,0.72,[0.08:1.36],1,0.328,0.453,2.74,[2.12:3.36],1,0.434,0.519,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,77.7576,0.534,1.609420652,0.919710667,3.53402610605613,1.931218512,0.932527188
O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)CC(C)(C)CC,"hydrindane,,Custom_25",9074,"hydrindane,,Custom_25",1,1,0.259,0.533,1,1,0.411,0.513,1,1,0.235,0.514,1,1,0.527,0.686,1,1,0.445,0.622,1,1,0.427,0.553,0,1,3,5,3421,[1900:6100],1,0.436,0.593,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,537.277,449.626,87.652,0,0,981.488,1,2,0,0.0037225,0.8889757,29.915,8.327,12.524,3.94,4.499,-4.508,-4.026,-1.521,370.082,-0.477,214.867,-2.655,0,0,1,0.535,3,100,0,0,46.307,2,0,0,9,0,9,9,20,0.019278701650421,0.06,[0.01:0.13],1,0.337,0.669,19.62,[10.12:38.66],1,0.226,0.504,-4.8,[-5.14:-4.46],1,0.241,0.509,-10.82,[-10.96:-10.64],0,0.258,0.638,1.84,[1.6:2.08],1,0.619,0.738,0.81,[0.3:1.34],0,0.239,0.463,1,1,0.464415920419734,0.53849501684847,0.43,[0.04:0.84],1,0.353,0.54,2.72,[2.09:3.35],1,0.43,0.513,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,79.187,0.534,1.609420652,0.919710667,3.53415307418506,1.931218512,0.932527188
O=C(O)[C@H](C)[C@@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)CCC(C)(C)C,"hydrindane,,Custom_26",9075,"hydrindane,,Custom_26",0,1,0.176,0.523,1,1,0.371,0.493,1,1,0.238,0.515,1,1,0.529,0.648,0,1,0.435,0.632,1,1,0.444,0.621,0,1,3,5,3422,[1900:6100],1,0.42,0.587,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,559.371,471.719,87.652,0,0,1013.918,1,2,0,0.0035754,0.8725705,31.212,8.559,12.869,3.993,4.704,-4.912,-4.026,-1.786,370.082,-0.505,214.867,-2.655,0,0,1,0.623,3,100,0,0,46.307,2,0,0,9,0,9,9,20,0.00760510180121821,0.06,[0.01:0.13],1,0.32,0.657,19.65,[10.12:38.69],1,0.227,0.504,-4.8,[-5.13:-4.47],1,0.241,0.51,-10.82,[-10.96:-10.64],0,0.258,0.638,1.84,[1.61:2.07],1,0.633,0.744,0.81,[0.3:1.34],0,0.238,0.462,1,1,0.471947179018175,0.581465092321614,0.44,[0.04:0.85],1,0.379,0.55,2.72,[2.09:3.35],1,0.422,0.506,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,78.9012,0.534,1.609420652,0.919710667,3.53428000520508,1.931218512,0.932527188
O=C(O)CCC[C@@H](C1)C[C@@H]([C@H]12)CC[C@H](C)C2,"hydrindane,Custom_43,Custom_1",9076,"hydrindane,Custom_43,Custom_1",0,1,0.361,0.573,1,1,0.425,0.564,1,1,0.406,0.615,0,1,0.489,0.727,0,1,0.459,0.684,0,1,0.387,0.647,0,1,4,5,5202,[2900:9300],1,0.489,0.602,2,0.5625,0,0,0,1,0,4,0,-1,224.342,0,478,369.844,108.156,0,0,831.692,1,2,0,0.0041841,0.8947717,24.562,7.082,10.848,4.157,3.4,-3.594,-2.879,-1.427,236.516,-0.578,132.436,-3.129,0,0,1,0.163,3,89.34,0,0,50.946,2,0,0,9,0,9,9,16,0.0425205585644459,0.02,[0.01:0.03],1,0.351,0.756,7,[0.01:51.92],1,0.267,0.334,-4.67,[-4.9:-4.44],1,0.262,0.579,-10.88,[-11.02:-10.74],1,0.387,0.719,1.87,[1.53:2.21],1,0.39,0.619,0.71,[0.3:1.12],0,0.238,0.519,1,1,0.489605690957658,0.551089902117432,-0.31,[-0.64:0.02],1,0.314,0.581,2.65,[2.17:3.21],1,0.527,0.571,224.177630008,40,16,14,2,0,0,2,0,0.928571428571429,4,2,1,1,37.3,58.7482,0.652,1.574918909,0.917826007,3.71617034785985,1.926491984,0.924638525
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O=C(O)CCC[C@@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)C(C)(C)CC,"hydrindane,Custom_43,Custom_16",9090,"hydrindane,Custom_43,Custom_16",1,1,0.268,0.441,1,1,0.411,0.513,1,1,0.27,0.531,0,1,0.779,0.799,1,1,0.432,0.614,1,1,0.406,0.643,0,1,4,5,6986,[3900:12000],1,0.453,0.727,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,561.947,453.792,108.156,0,0,1007.598,1,2,0,0.0035591,0.8649566,30.317,8.616,12.745,3.918,4.52,-4.796,-4.026,-1.91,236.516,-0.762,132.436,-2.937,0,0,1,0.562,3,95.897,0,0,50.946,2,0,0,9,0,9,9,20,0.00518609170489327,0.03,[0.02:0.04],1,0.333,0.738,30.24,[10.5:77.94],1,0.226,0.439,-4.91,[-5.27:-4.55],1,0.22,0.488,-10.82,[-10.96:-10.64],0,0.261,0.639,1.83,[1.58:2.08],1,0.529,0.701,1.08,[0.56:1.6],0,0.211,0.431,1,1,0.464571487088137,0.577777246356595,0.43,[0.04:0.85],1,0.325,0.531,2.84,[2.07:3.61],1,0.433,0.453,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,76.9909,0.573,1.609420652,0.919710667,3.84422858130163,1.931218512,0.932527188
O=C(O)CCC[C@@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)CCCCCC,"hydrindane,Custom_43,Custom_17",9091,"hydrindane,Custom_43,Custom_17",0,1,0.313,0.645,1,1,0.434,0.564,1,1,0.35,0.588,0,1,0.54,0.625,0,1,0.491,0.639,1,1,0.416,0.52,0,1,3,5,3666,[2100:6500],1,0.427,0.454,2,0.42857143,1,0,0,1,0,9,0,-1,294.476,0,617.444,522.276,95.168,0,0,1103.938,1,2,0,0.0032392,0.8366243,32.247,9.366,12.885,3.302,5.224,-5.328,-4.316,-2.368,314.066,-0.885,179.94,-2.409,0,0,1,0.7,3,89.267,0,0,47.983,2,1,0,9,0,9,9,21,0.00539683154876442,0.02,[0:0.04],1,0.373,0.761,30.24,[10.5:77.77],1,0.228,0.441,-4.93,[-5.29:-4.57],1,0.214,0.485,-10.82,[-10.96:-10.65],1,0.278,0.646,1.82,[1.56:2.08],1,0.354,0.643,1.08,[0.56:1.6],0,0.214,0.432,1,1,0.457715977134278,0.574349491379665,0.15,[-0.24:0.54],1,0.328,0.537,3.53,[2.33:4.73],1,0.42,0.333,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,9,2,1,1,37.3,75.0126,0.652,1.609420652,0.919710667,3.5641924606262,1.931218512,0.932527188
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O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)CCCC,"hydrindane,Custom_47,Custom_6",9180,"hydrindane,Custom_47,Custom_6",0,1,0.32,0.648,1,1,0.439,0.568,1,1,0.317,0.549,0,1,0.539,0.627,0,1,0.451,0.644,1,1,0.435,0.51,0,1,3,5,4426,[2500:7900],1,0.518,0.47,2,0.45,1,0,0,1,0,8,0,-1,280.45,0,587.689,492.491,95.199,0,0,1045.8,1,2,0,0.0034032,0.8478451,30.562,8.835,12.386,3.451,4.852,-4.943,-4.026,-2.187,313.857,-0.802,179.81,-2.506,0,0,1,0.581,3,100,0,0,47.983,2,0,0,9,0,9,9,20,0.00997781247238957,0.02,[0:0.04],1,0.366,0.758,19.67,[10.12:38.63],1,0.239,0.509,-4.91,[-5.27:-4.55],1,0.225,0.491,-10.82,[-10.97:-10.65],1,0.292,0.662,1.82,[1.56:2.08],1,0.385,0.654,1.08,[0.56:1.6],0,0.215,0.433,1,1,0.462808732665192,0.576895869145122,0.45,[0.04:0.86],1,0.352,0.541,3.14,[2.24:4.04],1,0.439,0.408,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,8,2,1,1,37.3,72.101,0.652,1.609420652,0.919710667,3.64601140959124,1.931218512,0.932527188
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O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)C(C)(C)CC,"hydrindane,Custom_47,Custom_16",9190,"hydrindane,Custom_47,Custom_16",1,1,0.262,0.438,1,1,0.404,0.516,1,1,0.262,0.527,0,1,0.779,0.798,1,1,0.439,0.612,1,1,0.418,0.57,0,1,3,5,3573,[2000:6400],1,0.511,0.734,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,593.003,484.845,108.157,0,0,1066.009,1,2,0,0.0033727,0.8510383,32.013,9.126,13.229,3.772,4.893,-5.203,-4.316,-2.135,236.507,-0.854,132.431,-2.841,0,0,1,0.681,3,100,0,0,50.946,2,0,0,9,0,9,9,21,0.00266042588663658,0.06,[0.01:0.13],1,0.331,0.674,16.18,[3:36.09],1,0.218,0.459,-4.92,[-5.28:-4.56],1,0.212,0.486,-10.82,[-10.96:-10.64],0,0.248,0.635,1.82,[1.57:2.07],1,0.463,0.684,1.06,[0.52:1.6],0,0.207,0.419,1,1,0.453273615796212,0.532923864536709,0.45,[0.04:0.86],1,0.308,0.527,3.37,[2.18:4.56],1,0.425,0.34,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,79.9025,0.573,1.609420652,0.919710667,3.55303301620244,1.931218512,0.932527188
O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)CCCCCC,"hydrindane,Custom_47,Custom_17",9191,"hydrindane,Custom_47,Custom_17",0,1,0.303,0.641,1,1,0.429,0.561,1,1,0.341,0.587,0,1,0.542,0.611,0,1,0.57,0.626,1,1,0.434,0.524,0,1,3,5,4111,[2300:7300],1,0.401,0.501,2,0.40909091,1,0,0,1,0,10,0,-2,308.503,0,659.951,552.628,107.323,0,0,1171.921,1,2,0,0.0030305,0.8145515,34.325,10.088,13.589,3.266,5.574,-5.949,-4.606,-2.725,240.856,-1.118,135.064,-2.537,0,0,1,0.846,3,89.254,0,0,50.54,2,1,1,9,0,9,9,22,0.00100574722514795,0.03,[0.01:0.04],1,0.371,0.761,16.38,[3:36.22],1,0.218,0.46,-4.94,[-5.3:-4.58],1,0.203,0.483,-10.82,[-10.96:-10.65],0,0.266,0.642,1.82,[1.56:2.08],1,0.322,0.632,1.09,[0.57:1.61],0,0.21,0.43,1,1,0.446994708450876,0.568988857037964,0.09,[-0.33:0.51],1,0.308,0.534,4.11,[3.03:5],1,0.408,0.356,308.271530392001,58,22,20,2,0,0,2,0,0.95,10,2,1,1,37.3,77.9242,0.652,1.609420652,0.919710667,3.61394747678035,1.931218512,0.932527188
O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)[C@H](C)CCCC,"hydrindane,Custom_47,Custom_18",9192,"hydrindane,Custom_47,Custom_18",0,1,0.295,0.638,1,1,0.429,0.56,1,1,0.378,0.636,1,1,0.883,0.712,1,1,0.57,0.646,1,1,0.432,0.565,0,1,4,5,5291,[3000:9400],1,0.351,0.441,2,0.40909091,1,0,0,1,0,9,0,-1,308.503,0,631.227,533.361,97.866,0,0,1137.577,1,2,0,0.0031684,0.8348981,33.593,9.7,13.436,3.353,5.422,-5.582,-4.606,-2.396,296.099,-0.915,168.84,-2.459,0,0,1,0.795,3,89.966,0,0,47.552,2,1,0,9,0,9,9,22,0.00280878385487618,0.03,[0.01:0.04],1,0.352,0.754,16.24,[3:36.09],1,0.216,0.459,-4.94,[-5.3:-4.58],1,0.206,0.484,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.357,0.645,1.08,[0.56:1.6],0,0.206,0.429,1,1,0.453636159565691,0.572309582595372,0.33,[-0.22:0.88],1,0.301,0.492,4.1,[2.97:5],1,0.416,0.355,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,80.6363,0.613,1.609420652,0.919710667,3.72353776153206,1.931218512,0.932527188
O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)C[C@@H](C)CCC,"hydrindane,Custom_47,Custom_19",9193,"hydrindane,Custom_47,Custom_19",0,1,0.264,0.586,1,1,0.429,0.56,1,1,0.334,0.583,1,1,0.882,0.732,0,1,0.567,0.642,1,1,0.422,0.524,0,1,4,5,5292,[3000:9400],1,0.415,0.46,2,0.40909091,1,0,0,1,0,9,0,-2,308.503,0,637.538,530.218,107.32,0,0,1145.67,1,2,0,0.0031371,0.8305487,33.917,9.84,13.663,3.433,5.408,-5.698,-4.606,-2.466,240.869,-1.016,135.072,-2.633,0,0,1,0.817,3,88.279,0,0,50.539,2,1,0,9,0,9,9,22,0.00143815466259784,0.06,[0.01:0.12],1,0.345,0.684,16.29,[3:36.14],1,0.216,0.459,-4.94,[-5.3:-4.58],1,0.206,0.483,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.372,0.651,1.06,[0.52:1.6],0,0.208,0.419,1,1,0.457415149485548,0.5741990775553,0.32,[-0.23:0.87],1,0.307,0.494,4.04,[2.93:5],1,0.414,0.35,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,82.5901,0.613,1.609420652,0.919710667,3.72361983551546,1.931218512,0.932527188
O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)CC[C@H](C)CC,"hydrindane,Custom_47,Custom_20",9194,"hydrindane,Custom_47,Custom_20",0,1,0.3,0.64,1,1,0.429,0.56,1,1,0.34,0.588,1,1,0.536,0.582,0,1,0.524,0.606,1,1,0.434,0.515,0,1,4,5,5292,[3000:9400],1,0.359,0.443,2,0.40909091,1,0,0,1,0,9,0,-2,308.503,0,644.306,536.237,108.069,0,0,1152.517,1,2,0,0.0031041,0.8250953,34.191,9.908,13.714,3.454,5.446,-5.823,-4.606,-2.555,236.962,-1.037,132.706,-2.647,0,0,1,0.835,3,88.375,0,0,50.88,2,1,1,9,0,9,9,22,0.00104481465004251,0.06,[0.01:0.12],1,0.339,0.681,16.29,[3:36.14],1,0.216,0.459,-4.93,[-5.29:-4.57],1,0.204,0.483,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.38,0.654,1.08,[0.56:1.6],0,0.208,0.43,1,1,0.461789725524796,0.576386365574924,0.32,[-0.23:0.87],1,0.306,0.494,4.05,[2.95:5],1,0.415,0.351,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,82.1765,0.613,1.609420652,0.919710667,3.72361983551546,1.931218512,0.932527188
O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)CCCC(C)C,"hydrindane,Custom_47,Custom_21",9195,"hydrindane,Custom_47,Custom_21",0,1,0.568,0.736,1,1,0.429,0.56,1,1,0.339,0.587,1,1,0.586,0.589,0,1,0.567,0.629,1,1,0.507,0.587,0,1,4,5,5292,[3000:9400],1,0.376,0.445,2,0.40909091,1,0,0,1,0,9,0,-2,308.503,0,648.596,540.439,108.157,0,0,1159.308,1,2,0,0.0030836,0.8228547,34.463,9.972,13.793,3.465,5.488,-5.902,-4.606,-2.591,236.507,-1.044,132.431,-2.649,0,0,1,0.854,3,88.61,0,0,50.946,2,1,1,9,0,9,9,22,0.000867317373432638,0.06,[0.01:0.13],1,0.329,0.676,16.32,[3:36.17],1,0.217,0.46,-4.93,[-5.29:-4.57],1,0.204,0.483,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.397,0.66,1.08,[0.56:1.6],0,0.207,0.43,1,1,0.4632479149235,0.577115460274276,0.09,[-0.33:0.51],1,0.312,0.535,4.05,[2.95:5],1,0.413,0.35,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,82.0103,0.613,1.609420652,0.919710667,3.72361983551546,1.931218512,0.932527188
O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)[C@H](C)[C@@H](C)CC,"hydrindane,Custom_47,Custom_22",9196,"hydrindane,Custom_47,Custom_22",0,1,0.571,0.746,1,1,0.348,0.52,1,1,0.334,0.582,1,1,0.828,0.69,1,1,0.532,0.613,1,1,0.42,0.6,0,1,3,5,4449,[2500:7900],1,0.411,0.443,2,0.40909091,1,0,0,1,0,8,0,-1,308.503,0,624.627,516.47,108.157,0,0,1125.971,1,2,0,0.0032019,0.8379714,33.771,9.667,13.738,3.628,5.276,-5.623,-4.606,-2.346,236.507,-0.946,132.431,-2.745,0,0,1,0.805,3,87.368,0,0,50.946,2,1,0,9,0,9,9,22,0.00132360756251077,0.06,[0.01:0.12],1,0.352,0.686,15.99,[3:34.83],1,0.213,0.468,-4.93,[-5.29:-4.57],1,0.207,0.484,-10.82,[-10.96:-10.64],0,0.245,0.633,1.82,[1.57:2.07],1,0.37,0.65,1.06,[0.52:1.6],0,0.207,0.419,1,1,0.450647318816189,0.570815162220621,0.42,[0.03:0.85],1,0.285,0.525,3.61,[2.41:4.81],1,0.42,0.337,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,81.8082,0.574,1.609420652,0.919710667,3.64826240574804,1.931218512,0.932527188
O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)C[C@@H](C)C(C)C,"hydrindane,Custom_47,Custom_23",9197,"hydrindane,Custom_47,Custom_23",0,1,0.297,0.638,1,1,0.428,0.56,1,1,0.339,0.587,1,1,0.569,0.573,1,1,0.522,0.624,1,1,0.432,0.515,0,1,4,5,6663,[3700:12000],1,0.418,0.457,2,0.40909091,1,0,0,1,0,8,0,-1,308.503,0,626.523,518.454,108.069,0,0,1134.025,1,2,0,0.0031922,0.8394142,34.093,9.743,13.881,3.632,5.329,-5.658,-4.606,-2.323,236.962,-0.941,132.706,-2.743,0,0,1,0.828,3,87.691,0,0,50.88,2,1,0,9,0,9,9,22,0.00122578500754591,0.06,[0.01:0.13],1,0.335,0.677,16.21,[3:36.07],1,0.214,0.458,-4.93,[-5.29:-4.57],1,0.206,0.484,-10.82,[-10.96:-10.64],0,0.245,0.633,1.82,[1.57:2.07],1,0.404,0.663,1.05,[0.51:1.59],0,0.209,0.42,1,1,0.461291153152296,0.576137079388674,0.33,[-0.22:0.88],1,0.301,0.493,3.6,[2.4:4.8],1,0.418,0.335,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,83.5958,0.574,1.609420652,0.919710667,3.82366981326814,1.931218512,0.932527188
O=C(O)CCCC[C@@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)C(C)(C)CCC,"hydrindane,Custom_47,Custom_24",9198,"hydrindane,Custom_47,Custom_24",1,1,0.289,0.537,1,1,0.438,0.528,1,1,0.254,0.521,1,1,0.442,0.682,0,1,0.565,0.651,1,1,0.422,0.597,0,1,3,5,2080,[1200:3700],1,0.355,0.67,2,0.40909091,1,0,0,1,0,8,0,-1,308.503,0,624.57,516.412,108.157,0,0,1124.397,1,2,0,0.0032022,0.8372668,33.708,9.651,13.705,3.628,5.266,-5.622,-4.606,-2.358,236.507,-0.947,132.431,-2.745,0,0,1,0.8,3,87.308,0,0,50.946,2,1,0,9,0,9,9,22,0.00132682381120091,0.06,[0.01:0.13],1,0.338,0.676,15.95,[3:34.84],1,0.209,0.466,-4.94,[-5.3:-4.58],1,0.205,0.483,-10.82,[-10.96:-10.64],0,0.237,0.63,1.82,[1.57:2.07],1,0.396,0.66,1.06,[0.52:1.6],0,0.204,0.418,1,1,0.44569570060502,0.529134906941114,0.45,[0.04:0.86],1,0.286,0.521,3.61,[2.41:4.81],1,0.413,0.335,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,83.2277,0.573,1.609420652,0.919710667,3.31806333496276,1.931218512,0.932527188
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O=C(O)[C@H](C)[C@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)CCCCC,"hydrindane,,Custom_10",9434,"hydrindane,,Custom_10",0,1,0.33,0.575,1,1,0.405,0.551,1,1,0.348,0.568,0,1,0.453,0.627,0,1,0.443,0.632,1,1,0.412,0.506,0,1,3,5,3893,[2200:6900],1,0.623,0.741,2,0.47368421,1,0,0,1,0,6,0,-1,266.423,0,550.918,464.671,86.247,0,0,980.967,1,2,0,0.0036303,0.8666571,29.252,8.216,11.988,3.743,4.501,-4.594,-3.738,-1.882,381.609,-0.564,222.109,-2.533,0,0,1,0.488,3,100,0,0,45.651,2,0,0,9,0,9,9,19,0.0198703943028321,0.03,[0.02:0.04],1,0.363,0.752,19.36,[10.12:38.59],1,0.247,0.51,-4.63,[-4.91:-4.35],1,0.248,0.551,-10.82,[-10.97:-10.65],1,0.299,0.665,1.81,[1.55:2.07],1,0.417,0.664,0.81,[0.3:1.34],0,0.238,0.462,1,1,0.476624476064968,0.58380374084501,0.44,[0.04:0.86],1,0.386,0.551,2.97,[2.12:3.82],1,0.435,0.451,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,6,2,1,1,37.3,69.5425,0.613,1.624709484,0.918686155,3.59028440371816,1.949404529,0.934024125
O=C(O)[C@H](C)[C@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)[C@H](C)CCC,"hydrindane,,Custom_11",9435,"hydrindane,,Custom_11",0,1,0.356,0.595,1,1,0.364,0.531,1,1,0.339,0.563,1,1,0.49,0.618,1,1,0.439,0.614,1,1,0.415,0.602,0,1,3,5,3449,[1900:6100],1,0.512,0.611,2,0.47368421,1,0,0,1,0,5,0,-1,266.423,0,528.87,442.915,85.955,0,0,954.454,1,2,0,0.0037816,0.8864467,28.833,8.051,12.046,3.908,4.337,-4.355,-3.738,-1.562,384.051,-0.467,223.646,-2.624,0,0,1,0.46,3,100,0,0,45.106,2,0,0,9,0,9,9,19,0.0280199346033356,0.03,[0.02:0.04],1,0.369,0.75,19.37,[10.12:38.58],1,0.243,0.509,-4.62,[-4.9:-4.34],1,0.251,0.553,-10.82,[-10.97:-10.65],1,0.288,0.66,1.82,[1.56:2.08],1,0.482,0.679,0.81,[0.3:1.34],0,0.238,0.462,1,1,0.473962744380066,0.58247287500256,0.44,[0.04:0.86],1,0.365,0.544,3.22,[2.51:3.93],1,0.449,0.522,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,5,2,1,1,37.3,72.2546,0.574,1.624709484,0.918686155,3.53769319436739,1.949404529,0.934024125
O=C(O)[C@H](C)[C@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)C[C@H](C)CC,"hydrindane,,Custom_12",9436,"hydrindane,,Custom_12",0,1,0.326,0.613,1,1,0.404,0.551,1,1,0.342,0.567,1,1,0.489,0.61,0,1,0.444,0.629,1,1,0.413,0.507,0,1,3,5,3450,[1900:6100],1,0.452,0.602,2,0.47368421,1,0,0,1,0,5,0,-1,266.423,0,530.432,442.781,87.652,0,0,958.32,1,2,0,0.0037705,0.8862214,28.987,8.098,12.132,3.924,4.35,-4.383,-3.738,-1.566,370.082,-0.482,214.867,-2.655,0,0,1,0.47,3,100,0,0,46.307,2,0,0,9,0,9,9,19,0.0244178561419392,0.03,[0.02:0.04],1,0.365,0.749,19.39,[10.12:38.61],1,0.244,0.509,-4.62,[-4.9:-4.34],1,0.252,0.554,-10.82,[-10.97:-10.65],1,0.288,0.66,1.81,[1.54:2.08],1,0.464,0.673,0.81,[0.3:1.34],0,0.241,0.464,1,1,0.480006293458302,0.585494649541677,0.43,[0.04:0.85],1,0.374,0.546,3.23,[2.52:3.94],1,0.444,0.52,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,5,2,1,1,37.3,72.6682,0.574,1.624709484,0.918686155,3.53781909507327,1.949404529,0.934024125
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O=C(O)CCC[C@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)CCCCCC,"hydrindane,Custom_43,Custom_17",9466,"hydrindane,Custom_43,Custom_17",0,1,0.313,0.645,1,1,0.434,0.564,1,1,0.35,0.588,0,1,0.54,0.625,0,1,0.491,0.639,1,1,0.416,0.52,0,1,3,5,3666,[2100:6500],1,0.427,0.454,2,0.42857143,1,0,0,1,0,9,0,-1,294.476,0,617.422,522.255,95.167,0,0,1103.917,1,2,0,0.0032393,0.8366437,32.246,9.366,12.885,3.302,5.224,-5.327,-4.316,-2.368,314.073,-0.885,179.944,-2.409,0,0,1,0.7,3,89.266,0,0,47.983,2,1,0,9,0,9,9,21,0.00540216163622393,0.02,[0:0.04],1,0.373,0.761,30.24,[10.5:77.77],1,0.228,0.441,-4.93,[-5.29:-4.57],1,0.214,0.485,-10.82,[-10.96:-10.65],1,0.278,0.646,1.82,[1.56:2.08],1,0.354,0.643,1.08,[0.56:1.6],0,0.214,0.432,1,1,0.457715977134278,0.574349491379665,0.15,[-0.24:0.54],1,0.328,0.537,3.53,[2.33:4.73],1,0.42,0.333,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,9,2,1,1,37.3,75.0126,0.652,1.609420652,0.919710667,3.5641924606262,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)[C@H](C)CCCC,"hydrindane,Custom_43,Custom_18",9467,"hydrindane,Custom_43,Custom_18",0,1,0.305,0.642,1,1,0.433,0.564,1,1,0.348,0.589,1,1,0.58,0.561,0,1,0.485,0.62,1,1,0.417,0.561,0,1,3,5,4393,[2500:7800],1,0.438,0.459,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,606.785,500.656,106.129,0,0,1087.335,1,2,0,0.0032961,0.8427637,32.224,9.295,13.156,3.571,5.042,-5.294,-4.316,-2.269,247.218,-0.915,138.925,-2.707,0,0,1,0.697,3,86.343,0,0,50.164,2,1,0,9,0,9,9,21,0.00293513531451742,0.03,[0.02:0.04],1,0.353,0.757,30.25,[10.5:77.87],1,0.225,0.439,-4.93,[-5.29:-4.57],1,0.216,0.486,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.398,0.659,1.08,[0.56:1.6],0,0.21,0.431,1,1,0.464704664505867,0.57784383506546,0.44,[0.04:0.85],1,0.325,0.532,3.43,[2.23:4.63],1,0.428,0.337,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,77.7247,0.613,1.609420652,0.919710667,3.64276120326532,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)C[C@@H](C)CCC,"hydrindane,Custom_43,Custom_19",9468,"hydrindane,Custom_43,Custom_19",0,1,0.312,0.644,1,1,0.433,0.564,1,1,0.342,0.598,1,1,0.88,0.732,1,1,0.487,0.639,1,1,0.407,0.576,0,1,3,5,4394,[2500:7800],1,0.494,0.473,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,607.025,498.868,108.157,0,0,1089.017,1,2,0,0.0032948,0.843299,32.292,9.327,13.222,3.586,5.039,-5.298,-4.316,-2.26,236.51,-0.933,132.432,-2.745,0,0,1,0.702,3,85.98,0,0,50.947,2,1,0,9,0,9,9,21,0.00266586072928674,0.03,[0.02:0.04],1,0.345,0.754,30.24,[10.5:77.79],1,0.226,0.44,-4.93,[-5.29:-4.57],1,0.216,0.486,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.419,0.667,0.86,[0.38:1.34],0,0.212,0.48,1,1,0.468636285581536,0.579809645603294,0.31,[-0.23:0.85],1,0.329,0.502,3.43,[2.23:4.63],1,0.428,0.336,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,79.6785,0.613,1.609420652,0.919710667,3.64286005258449,1.931218512,0.932527188
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O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)CC(C)(C)C,"hydrindane,Custom_47,Custom_15",9564,"hydrindane,Custom_47,Custom_15",0,1,0.497,0.749,1,1,0.364,0.496,1,1,0.261,0.526,1,1,0.571,0.613,0,1,0.808,0.814,1,1,0.569,0.618,0,1,3,5,3573,[2000:6400],1,0.608,0.741,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,581.012,472.853,108.159,0,0,1061.327,1,2,0,0.0034423,0.8660557,31.826,9.123,13.323,3.744,4.865,-4.983,-4.316,-1.892,236.498,-0.82,132.425,-2.841,0,0,1,0.67,3,100,0,0,50.947,2,0,0,9,0,9,9,21,0.0044174860343811,0.06,[0.01:0.13],1,0.312,0.664,16.28,[3:36.19],1,0.221,0.46,-4.93,[-5.29:-4.57],1,0.215,0.486,-10.82,[-10.96:-10.64],0,0.248,0.635,1.95,[1.77:2.13],1,0.495,0.717,0.86,[0.38:1.34],0,0.213,0.481,1,1,0.463379853449028,0.57718142953704,0.44,[0.04:0.85],1,0.338,0.537,3.28,[2.18:4.38],1,0.418,0.35,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,79.8087,0.573,1.609420652,0.919710667,3.55303301620244,1.931218512,0.932527188
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O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)CCCCCC,"hydrindane,Custom_47,Custom_17",9566,"hydrindane,Custom_47,Custom_17",0,1,0.303,0.641,1,1,0.429,0.561,1,1,0.341,0.587,0,1,0.542,0.611,0,1,0.57,0.626,1,1,0.434,0.524,0,1,3,5,4111,[2300:7300],1,0.401,0.501,2,0.40909091,1,0,0,1,0,10,0,-2,308.503,0,659.931,552.608,107.323,0,0,1171.902,1,2,0,0.0030306,0.814568,34.325,10.088,13.589,3.266,5.574,-5.949,-4.606,-2.725,240.857,-1.118,135.065,-2.537,0,0,1,0.846,3,89.253,0,0,50.54,2,1,1,9,0,9,9,22,0.00100663463534587,0.03,[0.01:0.04],1,0.371,0.761,16.38,[3:36.22],1,0.218,0.46,-4.94,[-5.3:-4.58],1,0.203,0.483,-10.82,[-10.96:-10.65],0,0.266,0.642,1.82,[1.56:2.08],1,0.322,0.632,1.09,[0.57:1.61],0,0.21,0.43,1,1,0.446994708450876,0.568988857037964,0.09,[-0.33:0.51],1,0.308,0.534,4.11,[3.03:5],1,0.408,0.356,308.271530392001,58,22,20,2,0,0,2,0,0.95,10,2,1,1,37.3,77.9242,0.652,1.609420652,0.919710667,3.61394747678035,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)[C@H](C)CCCC,"hydrindane,Custom_47,Custom_18",9567,"hydrindane,Custom_47,Custom_18",0,1,0.295,0.638,1,1,0.429,0.56,1,1,0.378,0.636,1,1,0.883,0.712,1,1,0.57,0.646,1,1,0.432,0.565,0,1,4,5,5291,[3000:9400],1,0.351,0.441,2,0.40909091,1,0,0,1,0,9,0,-1,308.503,0,631.199,533.331,97.867,0,0,1137.437,1,2,0,0.0031686,0.8348667,33.587,9.699,13.433,3.353,5.421,-5.581,-4.606,-2.397,296.091,-0.915,168.835,-2.459,0,0,1,0.794,3,89.961,0,0,47.553,2,1,0,9,0,9,9,22,0.00281198393919777,0.03,[0.01:0.04],1,0.352,0.754,16.24,[3:36.09],1,0.216,0.459,-4.94,[-5.3:-4.58],1,0.206,0.484,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.357,0.645,1.08,[0.56:1.6],0,0.206,0.429,1,1,0.453636159565691,0.572309582595372,0.33,[-0.22:0.88],1,0.301,0.492,4.1,[2.97:5],1,0.416,0.355,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,80.6363,0.613,1.609420652,0.919710667,3.72353776153206,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)C[C@@H](C)CCC,"hydrindane,Custom_47,Custom_19",9568,"hydrindane,Custom_47,Custom_19",0,1,0.264,0.586,1,1,0.429,0.56,1,1,0.334,0.583,1,1,0.882,0.732,0,1,0.567,0.642,1,1,0.422,0.524,0,1,4,5,5292,[3000:9400],1,0.415,0.46,2,0.40909091,1,0,0,1,0,9,0,-2,308.503,0,637.538,530.218,107.32,0,0,1145.664,1,2,0,0.0031371,0.8305456,33.917,9.84,13.663,3.433,5.408,-5.698,-4.606,-2.466,240.869,-1.016,135.072,-2.633,0,0,1,0.817,3,88.279,0,0,50.539,2,1,0,9,0,9,9,22,0.00143814316405081,0.06,[0.01:0.12],1,0.345,0.684,16.29,[3:36.14],1,0.216,0.459,-4.94,[-5.3:-4.58],1,0.206,0.483,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.372,0.651,1.06,[0.52:1.6],0,0.208,0.419,1,1,0.457415149485548,0.5741990775553,0.32,[-0.23:0.87],1,0.307,0.494,4.04,[2.93:5],1,0.414,0.35,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,82.5901,0.613,1.609420652,0.919710667,3.72361983551546,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)CC[C@@H](C)CC,"hydrindane,Custom_47,Custom_20",9569,"hydrindane,Custom_47,Custom_20",0,1,0.3,0.64,1,1,0.429,0.56,1,1,0.34,0.588,1,1,0.536,0.582,0,1,0.524,0.606,1,1,0.434,0.515,0,1,4,5,5292,[3000:9400],1,0.359,0.443,2,0.40909091,1,0,0,1,0,9,0,-2,308.503,0,639.77,532.447,107.323,0,0,1147.744,1,2,0,0.0031261,0.8286508,34,9.859,13.672,3.438,5.421,-5.739,-4.606,-2.497,240.856,-1.021,135.065,-2.633,0,0,1,0.822,3,88.355,0,0,50.54,2,1,1,9,0,9,9,22,0.00130788475657482,0.06,[0.01:0.12],1,0.339,0.681,16.29,[3:36.14],1,0.216,0.459,-4.93,[-5.29:-4.57],1,0.204,0.483,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.38,0.654,1.08,[0.56:1.6],0,0.208,0.43,1,1,0.461789725524796,0.576386365574924,0.32,[-0.23:0.87],1,0.306,0.494,4.05,[2.95:5],1,0.415,0.351,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,82.1765,0.613,1.609420652,0.919710667,3.72361983551546,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)CCCC(C)C,"hydrindane,Custom_47,Custom_21",9570,"hydrindane,Custom_47,Custom_21",0,1,0.568,0.736,1,1,0.429,0.56,1,1,0.339,0.587,1,1,0.586,0.589,0,1,0.567,0.629,1,1,0.507,0.587,0,1,4,5,5292,[3000:9400],1,0.376,0.445,2,0.40909091,1,0,0,1,0,9,0,-2,308.503,0,648.654,540.496,108.157,0,0,1159.326,1,2,0,0.0030833,0.8227903,34.463,9.972,13.792,3.465,5.489,-5.903,-4.606,-2.592,236.507,-1.044,132.431,-2.649,0,0,1,0.854,3,88.611,0,0,50.946,2,1,1,9,0,9,9,22,0.000865204126890812,0.06,[0.01:0.13],1,0.329,0.676,16.32,[3:36.17],1,0.217,0.46,-4.93,[-5.29:-4.57],1,0.204,0.483,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.397,0.66,1.08,[0.56:1.6],0,0.207,0.43,1,1,0.4632479149235,0.577115460274276,0.09,[-0.33:0.51],1,0.312,0.535,4.05,[2.95:5],1,0.413,0.35,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,82.0103,0.613,1.609420652,0.919710667,3.72361983551546,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)[C@H](C)[C@@H](C)CC,"hydrindane,Custom_47,Custom_22",9571,"hydrindane,Custom_47,Custom_22",0,1,0.571,0.746,1,1,0.348,0.52,1,1,0.334,0.582,1,1,0.828,0.69,1,1,0.532,0.613,1,1,0.42,0.6,0,1,3,5,4449,[2500:7900],1,0.411,0.443,2,0.40909091,1,0,0,1,0,8,0,-1,308.503,0,624.548,516.39,108.157,0,0,1126.681,1,2,0,0.0032023,0.8384301,33.799,9.674,13.755,3.628,5.281,-5.621,-4.606,-2.339,236.507,-0.944,132.431,-2.745,0,0,1,0.807,3,87.395,0,0,50.946,2,1,0,9,0,9,9,22,0.0013280644868171,0.06,[0.01:0.12],1,0.352,0.686,15.99,[3:34.83],1,0.213,0.468,-4.93,[-5.29:-4.57],1,0.207,0.484,-10.82,[-10.96:-10.64],0,0.245,0.633,1.82,[1.57:2.07],1,0.37,0.65,1.06,[0.52:1.6],0,0.207,0.419,1,1,0.450647318816189,0.570815162220621,0.42,[0.03:0.85],1,0.285,0.525,3.61,[2.41:4.81],1,0.42,0.337,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,81.8082,0.574,1.609420652,0.919710667,3.64826240574804,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)C[C@@H](C)C(C)C,"hydrindane,Custom_47,Custom_23",9572,"hydrindane,Custom_47,Custom_23",0,1,0.297,0.638,1,1,0.428,0.56,1,1,0.339,0.587,1,1,0.569,0.573,1,1,0.522,0.624,1,1,0.432,0.515,0,1,4,5,6663,[3700:12000],1,0.418,0.457,2,0.40909091,1,0,0,1,0,8,0,-1,308.503,0,626.584,518.517,108.067,0,0,1134.019,1,2,0,0.0031919,0.8393291,34.093,9.743,13.88,3.632,5.329,-5.659,-4.606,-2.324,236.971,-0.941,132.711,-2.743,0,0,1,0.828,3,87.691,0,0,50.879,2,1,0,9,0,9,9,22,0.00122269297283188,0.06,[0.01:0.13],1,0.335,0.677,16.21,[3:36.07],1,0.214,0.458,-4.93,[-5.29:-4.57],1,0.206,0.484,-10.82,[-10.96:-10.64],0,0.245,0.633,1.82,[1.57:2.07],1,0.404,0.663,1.05,[0.51:1.59],0,0.209,0.42,1,1,0.461291153152296,0.576137079388674,0.33,[-0.22:0.88],1,0.301,0.493,3.6,[2.4:4.8],1,0.418,0.335,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,83.5958,0.574,1.609420652,0.919710667,3.82366981326814,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)C(C)(C)CCC,"hydrindane,Custom_47,Custom_24",9573,"hydrindane,Custom_47,Custom_24",1,1,0.289,0.537,1,1,0.438,0.528,1,1,0.254,0.521,1,1,0.442,0.682,0,1,0.565,0.651,1,1,0.422,0.597,0,1,3,5,2080,[1200:3700],1,0.355,0.67,2,0.40909091,1,0,0,1,0,8,0,-1,308.503,0,624.57,516.413,108.157,0,0,1124.358,1,2,0,0.0032022,0.8372476,33.706,9.651,13.704,3.628,5.266,-5.622,-4.606,-2.358,236.507,-0.947,132.431,-2.745,0,0,1,0.8,3,87.306,0,0,50.946,2,1,0,9,0,9,9,22,0.00132681841397719,0.06,[0.01:0.13],1,0.338,0.676,15.95,[3:34.84],1,0.209,0.466,-4.94,[-5.3:-4.58],1,0.205,0.483,-10.82,[-10.96:-10.64],0,0.237,0.63,1.82,[1.57:2.07],1,0.396,0.66,1.06,[0.52:1.6],0,0.204,0.418,1,1,0.44569570060502,0.529134906941114,0.45,[0.04:0.86],1,0.286,0.521,3.61,[2.41:4.81],1,0.413,0.335,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,83.2277,0.573,1.609420652,0.919710667,3.31806333496276,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CC[C@@H](C2)CC(C)(C)CC,"hydrindane,Custom_47,Custom_25",9574,"hydrindane,Custom_47,Custom_25",1,1,0.246,0.559,1,1,0.438,0.528,1,1,0.254,0.521,1,1,0.867,0.743,0,1,0.562,0.64,1,1,0.466,0.565,0,1,3,5,2080,[1200:3700],1,0.412,0.677,2,0.40909091,1,0,0,1,0,8,0,-1,308.503,0,613.458,505.301,108.157,0,0,1113.556,1,2,0,0.0032602,0.8469444,33.274,9.563,13.65,3.601,5.198,-5.417,-4.606,-2.201,236.507,-0.924,132.431,-2.745,0,0,1,0.771,3,86.909,0,0,50.946,2,1,0,9,0,9,9,22,0.00212608951570853,0.13,[0.01:0.26],1,0.322,0.571,15.97,[3:34.82],1,0.21,0.466,-4.93,[-5.29:-4.57],1,0.205,0.483,-10.82,[-10.96:-10.64],0,0.237,0.63,1.95,[1.76:2.14],1,0.425,0.692,1.05,[0.51:1.59],0,0.21,0.42,1,1,0.45486919605956,0.572926100842306,0.32,[-0.23:0.87],1,0.302,0.493,3.61,[2.41:4.81],1,0.412,0.334,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,84.6571,0.573,1.609420652,0.919710667,3.31806333496276,1.931218512,0.932527188
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O=C(O)C[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC[C@H](C)CC,"hydrindane,Custom_38,Custom_20",9769,"hydrindane,Custom_38,Custom_20",0,1,0.293,0.595,1,1,0.405,0.551,1,1,0.342,0.584,0,1,0.528,0.696,0,1,0.43,0.623,1,1,0.4,0.563,0,1,4,5,6230,[3500:11000],1,0.516,0.715,2,0.47368421,1,0,0,1,0,6,0,-1,266.423,0,540.874,442.664,98.21,0,0,968.672,1,2,0,0.0036977,0.8753598,28.76,8.22,12.08,3.8,4.341,-4.411,-3.738,-1.741,293.88,-0.653,167.472,-2.753,0,0,1,0.455,3,96.538,0,0,48.713,2,0,0,9,0,9,9,19,0.0182526029154169,0.02,[0.01:0.03],1,0.344,0.743,19.44,[10.12:38.61],1,0.25,0.511,-4.8,[-5.13:-4.47],1,0.239,0.514,-10.82,[-10.97:-10.65],1,0.295,0.663,1.82,[1.56:2.08],1,0.47,0.676,0.86,[0.38:1.34],0,0.234,0.487,1,1,0.499187755878891,0.595085380751972,0.45,[0.04:0.87],1,0.379,0.549,2.97,[2.11:3.83],1,0.426,0.443,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,6,2,1,1,37.3,71.9015,0.613,1.624709484,0.918686155,3.79448804665917,1.949404529,0.934024125
O=C(O)C[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCC(C)C,"hydrindane,Custom_38,Custom_21",9770,"hydrindane,Custom_38,Custom_21",0,1,0.297,0.634,1,1,0.445,0.571,1,1,0.346,0.586,0,1,0.452,0.674,0,1,0.434,0.642,1,1,0.413,0.534,0,1,4,5,6230,[3500:11000],1,0.527,0.721,2,0.47368421,1,0,0,1,0,6,0,-1,266.423,0,545.13,447.046,98.085,0,0,976.117,1,2,0,0.0036688,0.8729695,29.058,8.279,12.171,3.809,4.389,-4.489,-3.738,-1.78,294.689,-0.656,167.97,-2.751,0,0,1,0.475,3,96.841,0,0,48.928,2,0,0,9,0,9,9,19,0.0153416789784356,0.02,[0.01:0.03],1,0.336,0.74,19.45,[10.12:38.63],1,0.251,0.511,-4.8,[-5.13:-4.47],1,0.24,0.513,-10.82,[-10.97:-10.65],1,0.295,0.663,1.82,[1.56:2.08],1,0.505,0.689,0.86,[0.38:1.34],0,0.232,0.486,1,1,0.500748493318522,0.595865749471787,0.45,[0.04:0.87],1,0.383,0.551,2.97,[2.11:3.83],1,0.421,0.44,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,6,2,1,1,37.3,71.7353,0.613,1.624709484,0.918686155,3.79448804665917,1.949404529,0.934024125
O=C(O)C[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)[C@H](C)CC,"hydrindane,Custom_38,Custom_22",9771,"hydrindane,Custom_38,Custom_22",0,1,0.644,0.733,1,1,0.364,0.531,1,1,0.343,0.585,1,1,0.784,0.767,1,1,0.438,0.588,1,1,0.418,0.6,0,1,3,5,3453,[1900:6100],1,0.462,0.609,2,0.47368421,1,0,0,1,0,5,0,-1,266.423,0,523.062,424.977,98.085,0,0,961.798,1,2,0,0.0038236,0.9008817,29.127,8.278,12.498,3.977,4.302,-4.249,-3.738,-1.328,294.689,-0.544,167.97,-2.847,0,0,1,0.483,3,96.334,0,0,48.928,2,0,0,9,0,9,9,19,0.0213691448579565,0.03,[0.02:0.04],1,0.363,0.749,19.43,[10.12:38.56],1,0.246,0.51,-4.8,[-5.13:-4.47],1,0.242,0.514,-10.82,[-10.96:-10.65],1,0.287,0.65,1.81,[1.56:2.06],1,0.442,0.673,0.86,[0.38:1.34],0,0.233,0.486,1,1,0.49432789466092,0.592655450142986,0.71,[0.07:1.35],1,0.35,0.46,3.23,[2.52:3.94],1,0.445,0.52,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,5,2,1,1,37.3,71.5332,0.574,1.624709484,0.918686155,3.53819657834945,1.949404529,0.934024125
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O=C(O)[C@H](C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C,"hydrindane,,Custom_1",9801,"hydrindane,,Custom_1",0,1,0.682,0.719,1,1,0.427,0.566,1,1,0.371,0.637,0,1,0.523,0.688,0,1,0.434,0.647,0,1,0.339,0.644,0,1,4,5,8863,[5000:16000],1,0.626,0.51,2,0.6,0,0,0,1,0,2,0,-1,210.316,0,426.658,339.01,87.648,0,0,751.192,1,2,0,0.0046876,0.936667,22.624,6.474,10.159,4.336,3.039,-2.997,-2.595,-0.749,370.113,-0.223,214.886,-2.943,0,0,1,0.036,3,90.708,0,0,46.311,2,0,0,9,0,9,9,15,0.2418180672355,0.05,[0:0.12],1,0.36,0.679,1.46,[0.01:23.77],1,0.283,0.36,-4.61,[-4.88:-4.34],1,0.292,0.58,-10.88,[-11.01:-10.75],1,0.413,0.728,0.49,[0.35:0.63],1,0.35,0.693,0.72,[0.3:1.14],0,0.266,0.523,1,1,0.4840461371776,0.587514571401327,-0.48,[-0.82:-0.14],1,0.316,0.611,2.54,[1.89:3.19],1,0.478,0.577,210.161979944,37,15,13,2,0,0,2,0,0.923076923076923,2,2,1,0,37.3,56.1897,0.613,1.574918909,0.917826007,3.94758074930432,1.926491984,0.924638525
O=C(O)[C@H](C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC,"hydrindane,,Custom_3",9802,"hydrindane,,Custom_3",0,1,0.661,0.714,1,1,0.384,0.543,1,1,0.428,0.647,0,1,0.566,0.728,0,1,0.412,0.668,0,1,0.378,0.652,0,1,4,5,8887,[5000:16000],1,0.705,0.684,2,0.5625,0,0,0,1,0,3,0,-1,224.342,0,451.974,364.311,87.663,0,0,802.709,1,2,0,0.004425,0.9241805,24.044,6.867,10.587,4.176,3.363,-3.292,-2.879,-0.951,369.989,-0.302,214.808,-2.847,0,0,1,0.132,3,92.604,0,0,46.311,2,0,0,9,0,9,9,16,0.164653651403794,0.02,[0.01:0.03],1,0.358,0.753,1.64,[0.01:23.62],1,0.271,0.36,-4.61,[-4.88:-4.34],1,0.283,0.571,-10.88,[-11.02:-10.74],1,0.375,0.715,1.89,[1.54:2.24],1,0.382,0.612,0.86,[0.38:1.34],0,0.254,0.492,1,1,0.489665478795183,0.590324242210118,-0.1,[-0.33:0.13],1,0.356,0.605,3.3,[2.62:3.98],1,0.498,0.532,224.177630008,40,16,14,2,0,0,2,0,0.928571428571429,3,2,1,1,37.3,59.2675,0.613,1.574918909,0.917826007,3.94875518016827,1.926491984,0.924638525
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O=C(O)[C@H](C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCCC,"hydrindane,,Custom_10",9809,"hydrindane,,Custom_10",0,1,0.33,0.575,1,1,0.405,0.551,1,1,0.348,0.568,0,1,0.453,0.627,0,1,0.443,0.632,1,1,0.412,0.506,0,1,3,5,3893,[2200:6900],1,0.623,0.741,2,0.47368421,1,0,0,1,0,6,0,-1,266.423,0,534.953,455.361,79.591,0,0,961.57,1,2,0,0.0037386,0.8807187,28.475,8.045,11.719,3.659,4.425,-4.303,-3.738,-1.655,441.301,-0.482,259.89,-2.41,0,0,1,0.436,3,100,0,0,42.231,2,0,0,9,0,9,9,19,0.0515937231830017,0.03,[0.02:0.04],1,0.363,0.752,19.36,[10.12:38.59],1,0.247,0.51,-4.63,[-4.91:-4.35],1,0.248,0.551,-10.82,[-10.97:-10.65],1,0.299,0.665,1.81,[1.55:2.07],1,0.417,0.664,0.81,[0.3:1.34],0,0.238,0.462,1,1,0.476624476064968,0.58380374084501,0.44,[0.04:0.86],1,0.386,0.551,2.97,[2.12:3.82],1,0.435,0.451,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,6,2,1,1,37.3,69.5425,0.613,1.624709484,0.918686155,3.59028440371816,1.949404529,0.934024125
O=C(O)[C@H](C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)CCC,"hydrindane,,Custom_11",9810,"hydrindane,,Custom_11",0,1,0.356,0.595,1,1,0.364,0.531,1,1,0.339,0.563,1,1,0.49,0.618,1,1,0.439,0.614,1,1,0.415,0.602,0,1,3,5,3449,[1900:6100],1,0.512,0.611,2,0.47368421,1,0,0,1,0,5,0,-1,266.423,0,524.579,436.95,87.629,0,0,951.486,1,2,0,0.0038126,0.8918443,28.714,8.062,12.079,3.909,4.307,-4.276,-3.738,-1.475,370.268,-0.472,214.983,-2.654,0,0,1,0.452,3,100,0,0,46.311,2,0,0,9,0,9,9,19,0.0312493421220386,0.03,[0.02:0.04],1,0.369,0.75,19.37,[10.12:38.58],1,0.243,0.509,-4.62,[-4.9:-4.34],1,0.251,0.553,-10.82,[-10.97:-10.65],1,0.288,0.66,1.82,[1.56:2.08],1,0.482,0.679,0.81,[0.3:1.34],0,0.238,0.462,1,1,0.473962744380066,0.58247287500256,0.44,[0.04:0.86],1,0.365,0.544,3.22,[2.51:3.93],1,0.449,0.522,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,5,2,1,1,37.3,72.2546,0.574,1.624709484,0.918686155,3.53769319436739,1.949404529,0.934024125
O=C(O)[C@H](C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@@H](C)CC,"hydrindane,,Custom_12",9811,"hydrindane,,Custom_12",0,1,0.326,0.613,1,1,0.404,0.551,1,1,0.342,0.567,1,1,0.489,0.61,0,1,0.444,0.629,1,1,0.413,0.507,0,1,3,5,3450,[1900:6100],1,0.452,0.602,2,0.47368421,1,0,0,1,0,5,0,-1,266.423,0,521.162,433.707,87.455,0,0,952.325,1,2,0,0.0038376,0.8982195,28.748,8.102,12.15,3.9,4.315,-4.214,-3.738,-1.371,371.672,-0.461,215.865,-2.651,0,0,1,0.456,3,100,0,0,46.381,2,0,0,9,0,9,9,19,0.0363323929728329,0.03,[0.02:0.04],1,0.365,0.749,19.39,[10.12:38.61],1,0.244,0.509,-4.62,[-4.9:-4.34],1,0.252,0.554,-10.82,[-10.97:-10.65],1,0.288,0.66,1.81,[1.54:2.08],1,0.464,0.673,0.81,[0.3:1.34],0,0.241,0.464,1,1,0.480006293458302,0.585494649541677,0.43,[0.04:0.85],1,0.374,0.546,3.23,[2.52:3.94],1,0.444,0.52,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,5,2,1,1,37.3,72.6682,0.574,1.624709484,0.918686155,3.53781909507327,1.949404529,0.934024125
O=C(O)[C@H](C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCC(C)C,"hydrindane,,Custom_13",9812,"hydrindane,,Custom_13",0,1,0.293,0.632,1,1,0.444,0.571,1,1,0.346,0.569,0,1,0.529,0.646,0,1,0.44,0.631,1,1,0.407,0.523,0,1,3,5,3450,[1900:6100],1,0.445,0.606,2,0.47368421,1,0,0,1,0,5,0,-1,266.423,0,532.755,445.3,87.455,0,0,961.919,1,2,0,0.0037541,0.8845645,29.131,8.122,12.169,3.928,4.374,-4.425,-3.738,-1.592,371.672,-0.483,215.865,-2.651,0,0,1,0.48,3,100,0,0,46.381,2,0,0,9,0,9,9,19,0.0223329469113654,0.02,[0.01:0.03],1,0.347,0.741,19.4,[10.12:38.62],1,0.245,0.509,-4.63,[-4.91:-4.35],1,0.254,0.554,-10.82,[-10.97:-10.65],1,0.288,0.66,1.82,[1.56:2.08],1,0.573,0.713,0.81,[0.3:1.34],0,0.241,0.463,1,1,0.485030783292133,0.588006894458593,0.44,[0.04:0.86],1,0.384,0.55,3.24,[2.53:3.95],1,0.439,0.518,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,5,2,1,1,37.3,73.6286,0.574,1.624709484,0.918686155,3.53781909507327,1.949404529,0.934024125
O=C(O)[C@H](C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)C(C)C,"hydrindane,,Custom_14",9813,"hydrindane,,Custom_14",0,1,0.339,0.583,1,1,0.363,0.53,1,1,0.345,0.56,1,1,0.826,0.759,1,1,0.438,0.615,1,1,0.413,0.603,0,1,4,5,5665,[3200:10000],1,0.438,0.568,2,0.47368421,0,0,0,1,0,4,0,-1,266.423,0,573.686,486.556,87.13,0,0,997.168,1,2,0,0.0034862,0.8414009,31.184,8.293,12.542,4.245,4.594,-5.337,-3.738,-2.291,374.32,-0.498,217.527,-2.741,0,0,1,0.613,3,100,0,0,46.311,2,0,0,9,0,9,9,19,0.00222466538028822,0.03,[0.01:0.05],1,0.368,0.743,19.43,[10.12:38.64],1,0.239,0.507,-4.62,[-4.9:-4.34],1,0.253,0.555,-10.82,[-10.96:-10.65],1,0.285,0.649,1.82,[1.56:2.08],1,0.54,0.701,0.81,[0.3:1.34],0,0.24,0.463,1,1,0.471260834584174,0.581121920104613,0.71,[0.07:1.35],1,0.35,0.46,3.04,[2.47:3.61],1,0.451,0.558,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,4,2,1,1,37.3,73.2603,0.535,1.624709484,0.918686155,3.75319991419942,1.949404529,0.934024125
O=C(O)[C@H](C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC(C)(C)C,"hydrindane,,Custom_15",9814,"hydrindane,,Custom_15",0,1,0.251,0.575,1,1,0.419,0.517,1,1,0.278,0.557,1,1,0.573,0.638,0,1,0.434,0.633,1,1,0.406,0.615,0,1,3,5,3108,[1700:5500],1,0.432,0.569,2,0.47368421,0,0,0,1,0,4,0,-1,266.423,0,513.591,425.927,87.663,0,0,936.08,1,2,0,0.0038942,0.9010658,28.74,7.968,12.203,4.104,4.21,-4.239,-3.738,-1.325,369.989,-0.397,214.808,-2.751,0,0,1,0.454,3,100,0,0,46.311,2,0,0,9,0,9,9,19,0.0272565441719952,0.03,[0.01:0.05],1,0.337,0.73,19.51,[10.12:38.71],1,0.236,0.506,-4.79,[-5.13:-4.45],1,0.26,0.517,-10.82,[-10.96:-10.65],1,0.272,0.644,1.83,[1.58:2.08],1,0.623,0.734,0.81,[0.3:1.34],0,0.243,0.464,1,1,0.47259849714967,0.581790751387361,0.43,[0.04:0.85],1,0.376,0.546,3.27,[2.56:3.98],1,0.436,0.517,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,4,2,1,1,37.3,74.3386,0.534,1.624709484,0.918686155,3.49248101012888,1.949404529,0.934024125
O=C(O)[C@H](C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)(C)CC,"hydrindane,,Custom_16",9815,"hydrindane,,Custom_16",1,1,0.285,0.449,1,1,0.419,0.517,1,1,0.275,0.555,1,1,0.825,0.809,1,1,0.428,0.61,1,1,0.404,0.581,0,1,3,5,3108,[1700:5500],1,0.432,0.572,2,0.47368421,0,0,0,1,0,4,0,-1,266.423,0,499.691,414.654,85.037,0,0,912.823,1,2,0,0.0040025,0.9107266,27.809,7.79,11.881,4.052,4.081,-3.986,-3.738,-1.169,391.83,-0.361,228.547,-2.703,0,0,1,0.391,3,100,0,0,46.311,2,0,0,9,0,9,9,19,0.0545074133901836,0.03,[0.01:0.05],1,0.362,0.739,19.49,[10.12:38.67],1,0.233,0.506,-4.62,[-4.9:-4.34],1,0.249,0.554,-10.82,[-10.96:-10.65],1,0.272,0.644,1.83,[1.58:2.08],1,0.593,0.722,1.08,[0.44:1.72],0,0.236,0.394,1,1,0.458972789393487,0.535773451335347,0.73,[0.08:1.38],1,0.339,0.455,3.04,[2.47:3.61],1,0.45,0.558,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,4,2,1,1,37.3,74.4324,0.534,1.624709484,0.918686155,3.49248101012888,1.949404529,0.934024125
O=C(O)[C@H](C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCCCC,"hydrindane,,Custom_17",9816,"hydrindane,,Custom_17",0,1,0.322,0.65,1,1,0.439,0.567,1,1,0.287,0.548,1,1,0.533,0.618,0,1,0.447,0.632,1,1,0.419,0.512,0,1,3,5,3563,[2000:6300],1,0.507,0.483,2,0.45,1,0,0,1,0,7,0,-1,280.45,0,577.474,490.019,87.455,0,0,1034.892,1,2,0,0.0034634,0.856832,30.768,8.702,12.468,3.594,4.837,-4.918,-4.026,-2.041,371.672,-0.653,215.865,-2.459,0,0,1,0.594,3,100,0,0,46.381,2,0,0,9,0,9,9,20,0.0117621843590118,0.02,[0:0.04],1,0.368,0.758,19.46,[10.12:38.51],1,0.238,0.508,-4.74,[-5.13:-4.35],1,0.233,0.479,-10.82,[-10.96:-10.65],1,0.283,0.648,1.81,[1.55:2.07],1,0.395,0.657,1.33,[0.79:1.87],0,0.237,0.42,1,1,0.467667432592706,0.579325219108879,0.43,[0.04:0.84],1,0.373,0.548,2.87,[2.07:3.67],1,0.442,0.443,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,72.4541,0.613,1.609420652,0.919710667,3.55181582235102,1.931218512,0.932527188
O=C(O)[C@H](C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)CCCC,"hydrindane,,Custom_18",9817,"hydrindane,,Custom_18",0,1,0.309,0.605,1,1,0.398,0.547,1,1,0.323,0.552,1,1,0.492,0.618,1,1,0.442,0.618,1,1,0.421,0.565,0,1,4,5,6394,[3600:11000],1,0.43,0.697,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,556.176,468.548,87.629,0,0,1009.887,1,2,0,0.003596,0.8752546,30.409,8.532,12.554,3.765,4.678,-4.691,-4.026,-1.743,370.268,-0.561,214.983,-2.558,0,0,1,0.57,3,100,0,0,46.311,2,0,0,9,0,9,9,20,0.0158058481009138,0.03,[0.02:0.04],1,0.363,0.752,19.47,[10.12:38.5],1,0.233,0.507,-4.74,[-5.13:-4.35],1,0.237,0.48,-10.82,[-10.96:-10.65],1,0.273,0.644,1.81,[1.56:2.06],1,0.453,0.678,1.08,[0.44:1.72],0,0.232,0.393,1,1,0.464917942842404,0.577950474233729,0.44,[0.04:0.85],1,0.355,0.542,2.64,[2.13:3.15],1,0.438,0.538,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,75.1662,0.574,1.609420652,0.919710667,3.80577263193567,1.931218512,0.932527188
O=C(O)[C@H](C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@H](C)CCC,"hydrindane,,Custom_19",9818,"hydrindane,,Custom_19",0,1,0.282,0.628,1,1,0.438,0.567,1,1,0.321,0.551,1,1,0.493,0.595,0,1,0.446,0.627,1,1,0.42,0.63,0,1,4,5,6394,[3600:11000],1,0.432,0.694,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,560.611,472.947,87.663,0,0,1012.911,1,2,0,0.0035675,0.8700638,30.53,8.54,12.548,3.776,4.697,-4.772,-4.026,-1.827,369.989,-0.57,214.808,-2.559,0,0,1,0.578,3,100,0,0,46.311,2,0,0,9,0,9,9,20,0.0130916256159451,0.03,[0.02:0.04],1,0.356,0.749,19.48,[10.12:38.53],1,0.235,0.507,-4.74,[-5.13:-4.35],1,0.24,0.481,-10.82,[-10.96:-10.65],1,0.273,0.644,1.82,[1.56:2.08],1,0.484,0.682,0.81,[0.3:1.34],0,0.236,0.462,1,1,0.469176521863985,0.580079763744519,0.44,[0.04:0.85],1,0.366,0.546,2.94,[2:3.91],1,0.436,0.409,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,77.12,0.574,1.609420652,0.919710667,3.80577263193567,1.931218512,0.932527188
O=C(O)[C@H](C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC[C@H](C)CC,"hydrindane,,Custom_20",9819,"hydrindane,,Custom_20",0,1,0.317,0.607,1,1,0.398,0.547,1,1,0.283,0.551,1,1,0.491,0.62,0,1,0.44,0.622,1,1,0.408,0.506,0,1,4,5,6393,[3600:11000],1,0.433,0.696,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,559.356,471.693,87.663,0,0,1013.08,1,2,0,0.0035755,0.872112,30.537,8.55,12.572,3.773,4.698,-4.749,-4.026,-1.794,369.989,-0.567,214.808,-2.559,0,0,1,0.578,3,100,0,0,46.311,2,0,0,9,0,9,9,20,0.0138028106454887,0.03,[0.02:0.04],1,0.349,0.744,19.51,[10.12:38.56],1,0.235,0.507,-4.74,[-5.13:-4.35],1,0.235,0.481,-10.82,[-10.96:-10.65],1,0.273,0.644,1.82,[1.56:2.08],1,0.503,0.689,0.81,[0.3:1.34],0,0.235,0.462,1,1,0.475106975378417,0.583044990501735,0.44,[0.04:0.85],1,0.368,0.547,2.83,[2.06:3.6],1,0.439,0.455,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,76.7064,0.574,1.609420652,0.919710667,3.80570470443386,1.931218512,0.932527188
O=C(O)[C@H](C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCC(C)C,"hydrindane,,Custom_21",9820,"hydrindane,,Custom_21",0,1,0.288,0.63,1,1,0.438,0.567,1,1,0.283,0.549,1,1,0.534,0.596,0,1,0.445,0.632,1,1,0.425,0.551,0,1,4,5,6393,[3600:11000],1,0.443,0.699,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,563.96,477.785,86.175,0,0,1019.054,1,2,0,0.0035464,0.868391,30.776,8.581,12.603,3.774,4.746,-4.833,-4.026,-1.854,382.209,-0.56,222.487,-2.532,0,0,1,0.594,3,100,0,0,45.48,2,0,0,9,0,9,9,20,0.0121081742791207,0.03,[0.02:0.04],1,0.339,0.741,19.51,[10.12:38.56],1,0.235,0.507,-4.81,[-5.15:-4.47],1,0.237,0.508,-10.82,[-10.96:-10.65],1,0.273,0.644,1.83,[1.58:2.08],1,0.542,0.705,1.33,[0.79:1.87],0,0.233,0.419,1,1,0.477298532808676,0.584140769216864,0.44,[0.04:0.85],1,0.378,0.55,2.83,[2.05:3.61],1,0.437,0.452,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,76.5402,0.574,1.609420652,0.919710667,3.80570470443386,1.931218512,0.932527188
O=C(O)[C@H](C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)[C@H](C)CC,"hydrindane,,Custom_22",9821,"hydrindane,,Custom_22",0,1,0.615,0.762,1,1,0.397,0.546,1,1,0.322,0.547,1,1,0.526,0.61,1,1,0.441,0.617,1,1,0.414,0.604,0,1,3,5,3412,[1900:6100],1,0.436,0.592,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,544.54,457.409,87.13,0,0,1009.588,1,2,0,0.0036728,0.8937822,31.039,8.604,13.008,3.954,4.683,-4.641,-4.026,-1.443,374.32,-0.465,217.527,-2.645,0,0,1,0.615,3,100,0,0,46.311,2,0,0,9,0,9,9,20,0.0145221763992092,0.03,[0.02:0.04],1,0.368,0.75,19.52,[10.12:38.56],1,0.23,0.505,-4.73,[-5.12:-4.34],1,0.237,0.481,-10.82,[-10.96:-10.65],1,0.269,0.642,1.81,[1.56:2.06],1,0.472,0.685,0.81,[0.3:1.34],0,0.235,0.462,1,1,0.460551214009546,0.536562663643377,0.71,[0.07:1.35],1,0.326,0.453,2.72,[2.11:3.33],1,0.441,0.521,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,76.3381,0.535,1.609420652,0.919710667,3.53300902249549,1.931218512,0.932527188
O=C(O)[C@H](C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@H](C)C(C)C,"hydrindane,,Custom_23",9822,"hydrindane,,Custom_23",0,1,0.312,0.606,1,1,0.397,0.546,1,1,0.288,0.55,1,1,0.526,0.649,1,1,0.441,0.617,1,1,0.408,0.507,0,1,3,5,3413,[1900:6100],1,0.444,0.605,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,545.574,459.75,85.823,0,0,995.297,1,2,0,0.0036659,0.8836496,30.467,8.418,12.659,3.948,4.599,-4.659,-4.026,-1.607,385.158,-0.471,224.343,-2.621,0,0,1,0.573,3,100,0,0,45.497,2,0,0,9,0,9,9,20,0.0146967978399199,0.03,[0.02:0.04],1,0.351,0.744,19.55,[10.12:38.6],1,0.231,0.506,-4.62,[-4.9:-4.34],1,0.239,0.549,-10.82,[-10.96:-10.65],1,0.269,0.642,1.83,[1.58:2.08],1,0.549,0.707,0.81,[0.3:1.34],0,0.238,0.463,1,1,0.472504621939421,0.581743813782237,0.43,[0.04:0.84],1,0.354,0.541,2.71,[2.09:3.33],1,0.436,0.515,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,78.1257,0.535,1.609420652,0.919710667,3.53313628827864,1.931218512,0.932527188
O=C(O)[C@H](C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)(C)CCC,"hydrindane,,Custom_24",9823,"hydrindane,,Custom_24",1,1,0.308,0.497,1,1,0.411,0.513,1,1,0.272,0.539,1,1,0.532,0.716,0,1,0.439,0.671,1,1,0.406,0.638,0,1,3,5,3420,[1900:6100],1,0.436,0.592,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,530.298,445.262,85.037,0,0,970.727,1,2,0,0.0037715,0.89408,29.484,8.234,12.361,3.905,4.449,-4.381,-4.026,-1.438,391.83,-0.447,228.547,-2.607,0,0,1,0.506,3,100,0,0,46.311,2,0,0,9,0,9,9,20,0.0288823890924291,0.03,[0.02:0.04],1,0.358,0.747,19.56,[10.09:38.59],1,0.224,0.505,-4.74,[-5.13:-4.35],1,0.237,0.48,-10.82,[-10.96:-10.64],0,0.258,0.638,1.83,[1.58:2.08],1,0.542,0.705,1.08,[0.44:1.72],0,0.232,0.393,1,1,0.449699293847479,0.531136703562343,0.72,[0.08:1.36],1,0.328,0.453,2.74,[2.12:3.36],1,0.434,0.519,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,77.7576,0.534,1.609420652,0.919710667,3.53402610605613,1.931218512,0.932527188
O=C(O)[C@H](C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC(C)(C)CC,"hydrindane,,Custom_25",9824,"hydrindane,,Custom_25",1,1,0.259,0.533,1,1,0.411,0.513,1,1,0.235,0.514,1,1,0.527,0.686,1,1,0.445,0.622,1,1,0.427,0.553,0,1,3,5,3421,[1900:6100],1,0.436,0.593,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,530.39,442.726,87.663,0,0,973.956,1,2,0,0.0037708,0.8959064,29.613,8.291,12.473,3.924,4.452,-4.382,-4.026,-1.409,369.989,-0.466,214.808,-2.655,0,0,1,0.516,3,100,0,0,46.311,2,0,0,9,0,9,9,20,0.0257366797625268,0.06,[0.01:0.13],1,0.337,0.669,19.62,[10.12:38.66],1,0.226,0.504,-4.8,[-5.14:-4.46],1,0.241,0.509,-10.82,[-10.96:-10.64],0,0.258,0.638,1.84,[1.6:2.08],1,0.619,0.738,0.81,[0.3:1.34],0,0.239,0.463,1,1,0.464415920419734,0.53849501684847,0.43,[0.04:0.84],1,0.353,0.54,2.72,[2.09:3.35],1,0.43,0.513,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,79.187,0.534,1.609420652,0.919710667,3.53415307418506,1.931218512,0.932527188
O=C(O)[C@H](C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCC(C)(C)C,"hydrindane,,Custom_26",9825,"hydrindane,,Custom_26",0,1,0.176,0.523,1,1,0.371,0.493,1,1,0.238,0.515,1,1,0.529,0.648,0,1,0.435,0.632,1,1,0.444,0.621,0,1,3,5,3422,[1900:6100],1,0.42,0.587,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,553.195,465.551,87.643,0,0,1008.099,1,2,0,0.0036154,0.878933,30.98,8.53,12.843,3.978,4.668,-4.799,-4.026,-1.683,370.15,-0.494,214.909,-2.655,0,0,1,0.608,3,100,0,0,46.311,2,0,0,9,0,9,9,20,0.00986969821656659,0.06,[0.01:0.13],1,0.32,0.657,19.65,[10.12:38.69],1,0.227,0.504,-4.8,[-5.13:-4.47],1,0.241,0.51,-10.82,[-10.96:-10.64],0,0.258,0.638,1.84,[1.61:2.07],1,0.633,0.744,0.81,[0.3:1.34],0,0.238,0.462,1,1,0.471947179018175,0.581465092321614,0.44,[0.04:0.85],1,0.379,0.55,2.72,[2.09:3.35],1,0.422,0.506,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,78.9012,0.534,1.609420652,0.919710667,3.53428000520508,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C,"hydrindane,Custom_43,Custom_1",9826,"hydrindane,Custom_43,Custom_1",0,1,0.361,0.573,1,1,0.425,0.564,1,1,0.406,0.615,0,1,0.489,0.727,0,1,0.459,0.684,0,1,0.387,0.647,0,1,4,5,5202,[2900:9300],1,0.489,0.602,2,0.5625,0,0,0,1,0,4,0,-1,224.342,0,471.936,363.779,108.157,0,0,823.879,1,2,0,0.0042379,0.9005841,24.249,7.045,10.777,4.143,3.351,-3.484,-2.879,-1.333,236.51,-0.567,132.432,-3.129,0,0,1,0.143,3,89.056,0,0,50.946,2,0,0,9,0,9,9,16,0.0547164810327621,0.02,[0.01:0.03],1,0.351,0.756,7,[0.01:51.92],1,0.267,0.334,-4.67,[-4.9:-4.44],1,0.262,0.579,-10.88,[-11.02:-10.74],1,0.387,0.719,1.87,[1.53:2.21],1,0.39,0.619,0.71,[0.3:1.12],0,0.238,0.519,1,1,0.489605690957658,0.551089902117432,-0.31,[-0.64:0.02],1,0.314,0.581,2.65,[2.17:3.21],1,0.527,0.571,224.177630008,40,16,14,2,0,0,2,0,0.928571428571429,4,2,1,1,37.3,58.7482,0.652,1.574918909,0.917826007,3.71617034785985,1.926491984,0.924638525
O=C(O)CCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC,"hydrindane,Custom_43,Custom_3",9827,"hydrindane,Custom_43,Custom_3",0,1,0.342,0.568,1,1,0.419,0.56,1,1,0.402,0.636,0,1,0.451,0.72,0,1,0.467,0.639,0,1,0.423,0.586,0,1,4,5,6284,[3500:11000],1,0.417,0.678,2,0.52941176,1,0,0,1,0,5,0,-1,238.369,0,496.203,388.881,107.322,0,0,873.67,1,2,0,0.0040306,0.8907121,25.6,7.457,11.171,3.975,3.673,-3.76,-3.164,-1.493,240.859,-0.64,135.066,-3.017,0,0,1,0.236,3,91.079,0,0,50.54,2,0,0,9,0,9,9,17,0.0397651917727852,0.03,[0.02:0.04],1,0.352,0.762,6.17,[0.01:27.97],1,0.258,0.386,-4.79,[-5.12:-4.46],1,0.252,0.52,-10.79,[-10.96:-10.62],1,0.355,0.682,1.89,[1.54:2.24],1,0.399,0.62,0.71,[0.3:1.13],0,0.227,0.514,1,1,0.488941985545436,0.550758049411322,0.11,[-0.21:0.43],1,0.34,0.568,3.31,[2.52:4.1],1,0.469,0.491,238.193280072,43,17,15,2,0,0,2,0,0.933333333333333,5,2,1,1,37.3,61.826,0.652,1.568343624,0.914081282,3.79823617636794,1.928734681,0.924826502
O=C(O)CCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCC,"hydrindane,Custom_43,Custom_4",9828,"hydrindane,Custom_43,Custom_4",0,1,0.29,0.595,1,1,0.412,0.556,1,1,0.352,0.605,0,1,0.453,0.639,0,1,0.444,0.66,1,1,0.39,0.528,0,1,3,5,3523,[2000:6300],1,0.68,0.832,2,0.5,1,0,0,1,0,6,0,-1,252.396,0,527.143,419.822,107.321,0,0,932.065,1,2,0,0.003794,0.8753887,27.295,7.936,11.657,3.829,4.043,-4.16,-3.45,-1.741,240.864,-0.732,135.07,-2.921,0,0,1,0.353,3,93.249,0,0,50.54,2,0,0,9,0,9,9,18,0.0209172270817798,0.02,[0.01:0.03],1,0.348,0.746,19.58,[10.12:38.97],1,0.254,0.511,-4.8,[-5.13:-4.47],1,0.244,0.512,-10.82,[-10.97:-10.65],1,0.329,0.678,1.81,[1.54:2.08],1,0.421,0.657,0.88,[0.42:1.34],0,0.224,0.493,1,1,0.480764462797651,0.585873734211352,0.12,[-0.2:0.44],1,0.346,0.566,3.63,[3.05:4.14],1,0.42,0.529,252.208930136,46,18,16,2,0,0,2,0,0.9375,6,2,1,1,37.3,66.2778,0.652,1.65465485,0.920814116,3.54691264318124,1.974165103,0.935447087
O=C(O)CCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)C,"hydrindane,Custom_43,Custom_5",9829,"hydrindane,Custom_43,Custom_5",0,1,0.33,0.571,1,1,0.412,0.555,1,1,0.354,0.606,0,1,0.444,0.617,0,1,0.47,0.639,0,1,0.434,0.595,0,1,3,5,3207,[1800:5700],1,0.424,0.599,2,0.5,0,0,0,1,0,5,0,-1,252.396,0,514.904,406.747,108.157,0,0,915.678,1,2,0,0.0038842,0.8856608,27.281,7.837,11.793,4.026,3.935,-4.1,-3.45,-1.575,236.51,-0.657,132.432,-3.033,0,0,1,0.351,3,92.47,0,0,50.946,2,0,0,9,0,9,9,18,0.0185870430893608,0.02,[0.01:0.03],1,0.346,0.744,19.59,[10.12:38.95],1,0.251,0.51,-4.8,[-5.13:-4.47],1,0.243,0.514,-10.82,[-10.97:-10.65],1,0.312,0.671,1.81,[1.54:2.08],1,0.465,0.672,0.86,[0.38:1.34],0,0.219,0.483,1,1,0.494076620335829,0.592529812980441,0.13,[-0.19:0.45],1,0.351,0.567,3.57,[3.02:4.12],1,0.443,0.532,252.208930136,46,18,16,2,0,0,2,0,0.9375,5,2,1,1,37.3,67.2835,0.613,1.65465485,0.920814116,3.50609895992844,1.974165103,0.935447087
O=C(O)CCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCC,"hydrindane,Custom_43,Custom_6",9830,"hydrindane,Custom_43,Custom_6",0,1,0.286,0.631,1,1,0.405,0.551,1,1,0.285,0.537,1,1,0.536,0.591,0,1,0.447,0.651,1,1,0.411,0.535,0,1,3,5,4161,[2300:7400],1,0.421,0.467,2,0.47368421,1,0,0,1,0,7,0,-1,266.423,0,557.553,451.973,105.58,0,0,987.936,1,2,0,0.0035871,0.8603956,28.888,8.395,12.068,3.67,4.411,-4.553,-3.738,-1.983,250.201,-0.809,140.737,-2.793,0,0,1,0.463,3,95.695,0,0,50.049,2,0,0,9,0,9,9,19,0.0120037330322535,0.02,[0:0.04],1,0.358,0.756,19.57,[10.12:38.71],1,0.247,0.51,-4.81,[-5.15:-4.47],1,0.235,0.506,-10.82,[-10.97:-10.65],1,0.309,0.67,1.81,[1.55:2.07],1,0.41,0.661,0.88,[0.41:1.35],0,0.219,0.491,1,1,0.473190047769294,0.582086526697173,0.19,[-0.13:0.51],1,0.348,0.569,3.26,[2.29:4.2],1,0.424,0.388,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,7,2,1,1,37.3,69.1894,0.652,1.624709484,0.918686155,3.61919771579295,1.949404529,0.934024125
O=C(O)CCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)CC,"hydrindane,Custom_43,Custom_7",9831,"hydrindane,Custom_43,Custom_7",0,1,0.348,0.593,1,1,0.365,0.531,1,1,0.617,0.684,1,1,0.528,0.583,0,1,0.483,0.627,1,1,0.398,0.578,0,1,3,5,3893,[2200:6900],1,0.458,0.702,2,0.47368421,1,0,0,1,0,6,0,-1,266.423,0,537.943,429.787,108.157,0,0,965.342,1,2,0,0.0037179,0.8781103,28.626,8.27,12.218,3.86,4.251,-4.357,-3.738,-1.697,236.51,-0.733,132.432,-2.937,0,0,1,0.446,3,94.324,0,0,50.946,2,0,0,9,0,9,9,19,0.0135374414132588,0.03,[0.02:0.04],1,0.358,0.75,19.57,[10.12:38.7],1,0.243,0.509,-4.81,[-5.14:-4.48],1,0.233,0.507,-10.82,[-10.97:-10.65],1,0.293,0.663,1.81,[1.55:2.07],1,0.426,0.667,0.86,[0.38:1.34],0,0.216,0.482,1,1,0.482990471258567,0.58698673844181,0.43,[0.04:0.85],1,0.347,0.537,2.97,[2.12:3.82],1,0.431,0.447,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,6,2,1,1,37.3,70.3613,0.613,1.624709484,0.918686155,3.59028440371816,1.949404529,0.934024125
O=C(O)CCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC(C)C,"hydrindane,Custom_43,Custom_8",9832,"hydrindane,Custom_43,Custom_8",0,1,0.277,0.625,1,1,0.445,0.571,1,1,0.319,0.536,0,1,0.494,0.619,0,1,0.483,0.648,1,1,0.392,0.535,0,1,4,5,6232,[3500:11000],1,0.507,0.714,2,0.47368421,1,0,0,1,0,6,0,-1,266.423,0,548.522,440.365,108.157,0,0,977.337,1,2,0,0.0036462,0.8682944,29.106,8.342,12.306,3.886,4.326,-4.551,-3.738,-1.856,236.51,-0.755,132.432,-2.937,0,0,1,0.478,3,94.764,0,0,50.946,2,0,0,9,0,9,9,19,0.00867437809546226,0.02,[0.01:0.03],1,0.34,0.742,19.58,[10.12:38.71],1,0.246,0.51,-4.81,[-5.15:-4.47],1,0.236,0.506,-10.82,[-10.97:-10.65],1,0.293,0.663,1.82,[1.56:2.08],1,0.488,0.682,0.86,[0.38:1.34],0,0.22,0.483,1,1,0.487495098025043,0.589239051825048,0.19,[-0.12:0.5],1,0.346,0.568,2.98,[2.12:3.84],1,0.421,0.44,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,6,2,1,1,37.3,72.1489,0.613,1.624709484,0.918686155,3.79462744466451,1.949404529,0.934024125
O=C(O)CCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)(C)C,"hydrindane,Custom_43,Custom_9",9833,"hydrindane,Custom_43,Custom_9",1,1,0.262,0.494,1,1,0.419,0.517,1,1,0.237,0.516,0,1,0.524,0.647,0,1,0.422,0.627,0,1,0.398,0.628,0,1,3,5,3681,[2100:6500],1,0.454,0.598,2,0.47368421,0,0,0,1,0,5,0,-1,266.423,0,522.786,414.56,108.225,0,0,943.274,1,2,0,0.0038257,0.8897471,28.385,8.119,12.265,4.045,4.111,-4.244,-3.738,-1.509,236.156,-0.649,132.218,-3.034,0,0,1,0.429,3,93.495,0,0,50.881,2,0,0,9,0,9,9,19,0.0140580973066724,0.02,[0.01:0.03],1,0.331,0.735,19.65,[10.12:38.73],1,0.237,0.507,-4.81,[-5.14:-4.48],1,0.232,0.507,-10.82,[-10.96:-10.65],1,0.274,0.645,1.83,[1.58:2.08],1,0.576,0.717,0.86,[0.38:1.34],0,0.213,0.481,1,1,0.473769374951676,0.582376190288365,0.43,[0.04:0.85],1,0.353,0.539,3.24,[2.53:3.95],1,0.431,0.515,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,5,2,1,1,37.3,72.1425,0.573,1.624709484,0.918686155,3.56596581744667,1.949404529,0.934024125
O=C(O)CCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCCC,"hydrindane,Custom_43,Custom_10",9834,"hydrindane,Custom_43,Custom_10",0,1,0.32,0.649,1,1,0.439,0.568,1,1,0.317,0.549,0,1,0.541,0.613,0,1,0.45,0.651,1,1,0.413,0.53,0,1,3,5,4417,[2500:7900],1,0.518,0.471,2,0.45,1,0,0,1,0,8,0,-1,280.45,0,592.213,483.99,108.223,0,0,1050.534,1,2,0,0.0033772,0.8439059,30.752,8.963,12.628,3.55,4.791,-5.026,-4.026,-2.25,236.167,-0.932,132.224,-2.746,0,0,1,0.594,3,100,0,0,50.88,2,0,0,9,0,9,9,20,0.00474095065174831,0.02,[0:0.04],1,0.365,0.758,19.68,[10.12:38.64],1,0.238,0.509,-4.92,[-5.28:-4.56],1,0.224,0.489,-10.82,[-10.97:-10.65],1,0.292,0.662,1.82,[1.56:2.08],1,0.385,0.654,1.08,[0.56:1.6],0,0.215,0.433,1,1,0.465550715406777,0.578266860515915,0.15,[-0.24:0.54],1,0.347,0.543,3.14,[2.24:4.04],1,0.437,0.408,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,8,2,1,1,37.3,72.101,0.652,1.609420652,0.919710667,3.64512739925839,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)CCC,"hydrindane,Custom_43,Custom_11",9835,"hydrindane,Custom_43,Custom_11",0,1,0.312,0.609,1,1,0.399,0.547,1,1,0.649,0.735,1,1,0.576,0.559,1,1,0.487,0.64,1,1,0.407,0.573,0,1,3,5,3595,[2000:6400],1,0.511,0.476,2,0.45,1,0,0,1,0,7,0,-1,280.45,0,569.882,461.726,108.157,0,0,1024.158,1,2,0,0.0035095,0.8622329,30.338,8.763,12.697,3.717,4.626,-4.779,-4.026,-1.954,236.51,-0.828,132.432,-2.841,0,0,1,0.565,3,96.517,0,0,50.946,2,0,0,9,0,9,9,20,0.00673310990076677,0.02,[0:0.04],1,0.352,0.752,19.66,[10.12:38.62],1,0.235,0.508,-4.92,[-5.28:-4.56],1,0.225,0.49,-10.82,[-10.96:-10.65],1,0.278,0.646,1.82,[1.57:2.07],1,0.439,0.673,0.86,[0.38:1.34],0,0.213,0.481,1,1,0.473058695165879,0.582020850395466,0.43,[0.04:0.84],1,0.342,0.537,2.87,[2.06:3.68],1,0.437,0.44,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,74.8131,0.613,1.609420652,0.919710667,3.5556988947189,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@@H](C)CC,"hydrindane,Custom_43,Custom_12",9836,"hydrindane,Custom_43,Custom_12",0,1,0.319,0.648,1,1,0.439,0.567,1,1,0.648,0.749,1,1,0.533,0.581,0,1,0.448,0.641,1,1,0.413,0.554,0,1,3,5,3596,[2000:6400],1,0.458,0.463,2,0.45,1,0,0,1,0,7,0,-1,280.45,0,566.701,458.545,108.157,0,0,1026.451,1,2,0,0.0035292,0.8683663,30.43,8.805,12.798,3.709,4.641,-4.721,-4.026,-1.854,236.51,-0.815,132.432,-2.841,0,0,1,0.573,3,96.61,0,0,50.946,2,0,0,9,0,9,9,20,0.00770071023864471,0.02,[0:0.04],1,0.354,0.753,19.69,[10.12:38.65],1,0.236,0.508,-4.92,[-5.28:-4.56],1,0.226,0.49,-10.82,[-10.96:-10.65],1,0.278,0.646,1.82,[1.57:2.07],1,0.425,0.668,0.86,[0.38:1.34],0,0.216,0.482,1,1,0.478310590071304,0.584646797848178,0.42,[0.04:0.83],1,0.343,0.537,3.09,[2.2:3.98],1,0.436,0.41,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,75.2267,0.613,1.609420652,0.919710667,3.55581968306119,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCC(C)C,"hydrindane,Custom_43,Custom_13",9837,"hydrindane,Custom_43,Custom_13",0,1,0.284,0.629,1,1,0.439,0.567,1,1,0.314,0.549,1,1,0.536,0.587,0,1,0.441,0.637,1,1,0.423,0.517,0,1,3,5,3596,[2000:6400],1,0.457,0.463,2,0.45,1,0,0,1,0,7,0,-1,280.45,0,566.297,471.133,95.164,0,0,1024.709,1,2,0,0.0035317,0.8680029,30.36,8.696,12.555,3.62,4.72,-4.713,-4.026,-1.86,314.094,-0.7,179.957,-2.601,0,0,1,0.568,3,100,0,0,47.983,2,0,0,9,0,9,9,20,0.013595346491551,0.03,[0.02:0.04],1,0.325,0.741,19.71,[10.12:38.67],1,0.236,0.508,-4.91,[-5.27:-4.55],1,0.226,0.49,-10.82,[-10.96:-10.65],1,0.278,0.646,1.83,[1.58:2.08],1,0.512,0.694,0.86,[0.38:1.34],0,0.216,0.482,1,1,0.481818985355275,0.586400995490164,0.43,[0.04:0.84],1,0.348,0.539,3.1,[2.21:3.99],1,0.434,0.408,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,76.1871,0.613,1.609420652,0.919710667,3.55581968306119,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)C(C)C,"hydrindane,Custom_43,Custom_14",9838,"hydrindane,Custom_43,Custom_14",0,1,0.338,0.592,1,1,0.398,0.547,1,1,0.611,0.693,1,1,0.567,0.555,1,1,0.445,0.612,1,1,0.404,0.58,0,1,4,5,6389,[3600:11000],1,0.448,0.698,2,0.45,0,0,0,1,0,6,0,-1,280.45,0,619.022,510.866,108.157,0,0,1069.568,1,2,0,0.0032309,0.8170797,32.798,9.105,13.161,4.056,4.91,-5.845,-4.026,-2.684,236.51,-0.878,132.432,-2.937,0,0,1,0.727,3,100,0,0,50.946,2,0,1,9,0,9,9,20,0.00046350103857434,0.03,[0.02:0.04],1,0.344,0.745,19.7,[10.12:38.66],1,0.231,0.507,-4.91,[-5.27:-4.55],1,0.224,0.489,-10.82,[-10.96:-10.65],1,0.27,0.643,1.82,[1.56:2.08],1,0.49,0.685,0.86,[0.38:1.34],0,0.214,0.481,1,1,0.475325913907184,0.583154459766118,0.43,[0.04:0.84],1,0.332,0.533,2.83,[2.05:3.61],1,0.436,0.452,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,75.8188,0.574,1.609420652,0.919710667,3.80543288813214,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC(C)(C)C,"hydrindane,Custom_43,Custom_15",9839,"hydrindane,Custom_43,Custom_15",0,1,0.241,0.601,1,1,0.411,0.513,1,1,0.228,0.519,1,1,0.872,0.811,0,1,0.766,0.794,1,1,0.465,0.625,0,1,4,5,6987,[3900:12000],1,0.517,0.742,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,558.901,450.745,108.157,0,0,1008.792,1,2,0,0.0035784,0.8703574,30.365,8.647,12.821,3.911,4.528,-4.74,-4.026,-1.822,236.51,-0.75,132.432,-2.937,0,0,1,0.566,3,95.948,0,0,50.946,2,0,0,9,0,9,9,20,0.00589663714958658,0.06,[0.01:0.13],1,0.312,0.659,30.15,[10.5:77.68],1,0.229,0.441,-4.92,[-5.28:-4.56],1,0.225,0.488,-10.82,[-10.96:-10.64],0,0.261,0.639,1.84,[1.6:2.08],1,0.574,0.72,0.86,[0.38:1.34],0,0.218,0.482,1,1,0.474876470106522,0.582929737865787,0.42,[0.04:0.83],1,0.346,0.537,2.86,[2.06:3.66],1,0.419,0.439,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,76.8971,0.573,1.609420652,0.919710667,3.84429074325434,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)(C)CC,"hydrindane,Custom_43,Custom_16",9840,"hydrindane,Custom_43,Custom_16",1,1,0.268,0.441,1,1,0.411,0.513,1,1,0.27,0.531,0,1,0.779,0.799,1,1,0.432,0.614,1,1,0.406,0.643,0,1,4,5,6986,[3900:12000],1,0.453,0.727,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,545.658,437.502,108.157,0,0,985.69,1,2,0,0.0036653,0.8778182,29.441,8.461,12.534,3.879,4.382,-4.498,-4.026,-1.702,236.51,-0.734,132.432,-2.937,0,0,1,0.503,3,95.088,0,0,50.946,2,0,0,9,0,9,9,20,0.010300944112516,0.03,[0.02:0.04],1,0.333,0.738,30.24,[10.5:77.94],1,0.226,0.439,-4.91,[-5.27:-4.55],1,0.22,0.488,-10.82,[-10.96:-10.64],0,0.261,0.639,1.83,[1.58:2.08],1,0.529,0.701,1.08,[0.56:1.6],0,0.211,0.431,1,1,0.464571487088137,0.577777246356595,0.43,[0.04:0.85],1,0.325,0.531,2.84,[2.07:3.61],1,0.433,0.453,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,76.9909,0.573,1.609420652,0.919710667,3.84422858130163,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCCCC,"hydrindane,Custom_43,Custom_17",9841,"hydrindane,Custom_43,Custom_17",0,1,0.313,0.645,1,1,0.434,0.564,1,1,0.35,0.588,0,1,0.54,0.625,0,1,0.491,0.639,1,1,0.416,0.52,0,1,3,5,3666,[2100:6500],1,0.427,0.454,2,0.42857143,1,0,0,1,0,9,0,-2,294.476,0,621.128,514.997,106.131,0,0,1105.364,1,2,0,0.0032199,0.8323781,32.304,9.451,13.035,3.385,5.157,-5.395,-4.316,-2.437,247.204,-1,138.916,-2.611,0,0,1,0.703,3,87.011,0,0,50.164,2,1,0,9,0,9,9,21,0.00289860761675553,0.02,[0:0.04],1,0.373,0.761,30.24,[10.5:77.77],1,0.228,0.441,-4.93,[-5.29:-4.57],1,0.214,0.485,-10.82,[-10.96:-10.65],1,0.278,0.646,1.82,[1.56:2.08],1,0.354,0.643,1.08,[0.56:1.6],0,0.214,0.432,1,1,0.457715977134278,0.574349491379665,0.15,[-0.24:0.54],1,0.328,0.537,3.53,[2.33:4.73],1,0.42,0.333,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,9,2,1,1,37.3,75.0126,0.652,1.609420652,0.919710667,3.5641924606262,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)CCCC,"hydrindane,Custom_43,Custom_18",9842,"hydrindane,Custom_43,Custom_18",0,1,0.305,0.642,1,1,0.433,0.564,1,1,0.348,0.589,1,1,0.58,0.561,0,1,0.485,0.62,1,1,0.417,0.561,0,1,3,5,4393,[2500:7800],1,0.438,0.459,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,601.48,493.323,108.157,0,0,1082.559,1,2,0,0.0033251,0.8477061,32.033,9.274,13.172,3.572,4.998,-5.196,-4.316,-2.189,236.51,-0.922,132.432,-2.745,0,0,1,0.684,3,100,0,0,50.946,2,0,0,9,0,9,9,21,0.00337196115870293,0.03,[0.02:0.04],1,0.353,0.757,30.25,[10.5:77.87],1,0.225,0.439,-4.93,[-5.29:-4.57],1,0.216,0.486,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.398,0.659,1.08,[0.56:1.6],0,0.21,0.431,1,1,0.464704664505867,0.57784383506546,0.44,[0.04:0.85],1,0.325,0.532,3.43,[2.23:4.63],1,0.428,0.337,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,77.7247,0.613,1.609420652,0.919710667,3.64276120326532,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@H](C)CCC,"hydrindane,Custom_43,Custom_19",9843,"hydrindane,Custom_43,Custom_19",0,1,0.312,0.644,1,1,0.433,0.564,1,1,0.342,0.598,1,1,0.88,0.732,1,1,0.487,0.639,1,1,0.407,0.576,0,1,3,5,4394,[2500:7800],1,0.494,0.473,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,604.518,496.145,108.374,0,0,1085.829,1,2,0,0.0033084,0.8451419,32.164,9.301,13.197,3.581,5.018,-5.252,-4.316,-2.23,235.393,-0.93,131.756,-2.749,0,0,1,0.693,3,85.816,0,0,50.857,2,1,0,9,0,9,9,21,0.00293744889202834,0.03,[0.02:0.04],1,0.345,0.754,30.24,[10.5:77.79],1,0.226,0.44,-4.93,[-5.29:-4.57],1,0.216,0.486,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.419,0.667,0.86,[0.38:1.34],0,0.212,0.48,1,1,0.468636285581536,0.579809645603294,0.31,[-0.23:0.85],1,0.329,0.502,3.43,[2.23:4.63],1,0.428,0.336,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,79.6785,0.613,1.609420652,0.919710667,3.64286005258449,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC[C@H](C)CC,"hydrindane,Custom_43,Custom_20",9844,"hydrindane,Custom_43,Custom_20",0,1,0.309,0.644,1,1,0.433,0.564,1,1,0.347,0.615,1,1,0.535,0.581,0,1,0.444,0.638,1,1,0.42,0.556,0,1,3,5,4394,[2500:7800],1,0.439,0.459,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,604.667,496.51,108.157,0,0,1085.791,1,2,0,0.0033076,0.8449153,32.163,9.299,13.19,3.58,5.019,-5.255,-4.316,-2.234,236.51,-0.929,132.432,-2.745,0,0,1,0.693,3,85.86,0,0,50.946,2,1,0,9,0,9,9,21,0.00294603787893055,0.03,[0.02:0.04],1,0.337,0.752,30.32,[10.5:77.9],1,0.225,0.44,-4.93,[-5.29:-4.57],1,0.215,0.486,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.43,0.671,1.08,[0.56:1.6],0,0.212,0.432,1,1,0.472984220843596,0.581983613234325,0.31,[-0.23:0.85],1,0.329,0.502,3.43,[2.23:4.63],1,0.429,0.336,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,79.2649,0.613,1.609420652,0.919710667,3.64286005258449,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCC(C)C,"hydrindane,Custom_43,Custom_21",9845,"hydrindane,Custom_43,Custom_21",0,1,0.276,0.626,1,1,0.433,0.564,1,1,0.346,0.587,1,1,0.584,0.589,0,1,0.485,0.636,1,1,0.412,0.579,0,1,3,5,4395,[2500:7800],1,0.446,0.461,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,610.629,502.404,108.225,0,0,1094.232,1,2,0,0.0032753,0.8409963,32.5,9.372,13.277,3.595,5.072,-5.365,-4.316,-2.297,236.16,-0.939,132.22,-2.746,0,0,1,0.716,3,86.16,0,0,50.881,2,1,0,9,0,9,9,21,0.002281573489169,0.06,[0.01:0.13],1,0.326,0.675,30.28,[10.5:77.81],1,0.226,0.44,-4.93,[-5.29:-4.57],1,0.215,0.486,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.452,0.68,1.08,[0.56:1.6],0,0.211,0.431,1,1,0.474441811214012,0.582712408419532,0.15,[-0.24:0.54],1,0.334,0.539,3.44,[2.24:4.64],1,0.427,0.334,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,79.0987,0.613,1.609420652,0.919710667,3.64295887940979,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)[C@H](C)CC,"hydrindane,Custom_43,Custom_22",9846,"hydrindane,Custom_43,Custom_22",0,1,0.578,0.747,1,1,0.353,0.523,1,1,0.343,0.583,1,1,0.527,0.539,1,1,0.447,0.613,1,1,0.405,0.586,0,1,3,5,3631,[2000:6500],1,0.41,0.46,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,589.585,481.428,108.157,0,0,1081.678,1,2,0,0.0033922,0.8643392,32.64,9.306,13.626,3.764,4.996,-5.141,-4.316,-1.92,236.51,-0.824,132.432,-2.841,0,0,1,0.727,3,100,0,0,50.946,2,0,0,9,0,9,9,21,0.00307450869346304,0.03,[0.02:0.04],1,0.352,0.756,16.26,[3:36.18],1,0.222,0.461,-4.93,[-5.29:-4.57],1,0.216,0.486,-10.82,[-10.96:-10.64],0,0.257,0.638,1.82,[1.57:2.07],1,0.415,0.665,1.05,[0.51:1.59],0,0.211,0.421,1,1,0.463854743719077,0.577418874672065,0.43,[0.04:0.84],1,0.305,0.525,3.26,[2.17:4.35],1,0.428,0.357,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,78.8966,0.574,1.609420652,0.919710667,3.56002624891289,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@H](C)C(C)C,"hydrindane,Custom_43,Custom_23",9847,"hydrindane,Custom_43,Custom_23",0,1,0.307,0.643,1,1,0.433,0.563,1,1,0.347,0.588,1,1,0.567,0.572,0,1,0.442,0.638,1,1,0.421,0.557,0,1,3,5,3632,[2000:6500],1,0.501,0.481,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,592.677,484.617,108.06,0,0,1070.803,1,2,0,0.0033745,0.8540572,32.205,9.177,13.337,3.771,4.925,-5.197,-4.316,-2.086,237.012,-0.846,132.736,-2.839,0,0,1,0.695,3,100,0,0,50.939,2,0,0,9,0,9,9,21,0.00270857383884292,0.06,[0.01:0.13],1,0.332,0.676,16.31,[3:36.23],1,0.223,0.461,-4.92,[-5.28:-4.56],1,0.217,0.487,-10.82,[-10.96:-10.64],0,0.257,0.638,1.82,[1.57:2.07],1,0.461,0.683,0.86,[0.38:1.34],0,0.214,0.481,1,1,0.47487668015929,0.582929842892171,0.43,[0.04:0.84],1,0.322,0.531,3.26,[2.17:4.35],1,0.428,0.355,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,80.6842,0.574,1.609420652,0.919710667,3.56014583984905,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)(C)CCC,"hydrindane,Custom_43,Custom_24",9848,"hydrindane,Custom_43,Custom_24",1,1,0.295,0.539,1,1,0.444,0.53,1,1,0.264,0.528,1,1,0.442,0.681,1,1,0.477,0.644,1,1,0.407,0.626,0,1,3,5,3576,[2000:6400],1,0.493,0.716,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,576.266,468.109,108.157,0,0,1043.595,1,2,0,0.0034706,0.8634361,31.116,8.949,13.015,3.732,4.751,-4.896,-4.316,-1.934,236.51,-0.826,132.432,-2.841,0,0,1,0.62,3,100,0,0,50.946,2,0,0,9,0,9,9,21,0.00539926551806083,0.06,[0.01:0.13],1,0.338,0.676,16.16,[3:36.08],1,0.217,0.459,-4.93,[-5.29:-4.57],1,0.214,0.485,-10.82,[-10.96:-10.64],0,0.249,0.635,1.82,[1.57:2.07],1,0.452,0.68,1.06,[0.52:1.6],0,0.209,0.419,1,1,0.450948140297572,0.531761126787389,0.44,[0.04:0.85],1,0.308,0.526,3.27,[2.18:4.36],1,0.419,0.355,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,80.3161,0.573,1.609420652,0.919710667,3.55339751012388,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC(C)(C)CC,"hydrindane,Custom_43,Custom_25",9849,"hydrindane,Custom_43,Custom_25",1,1,0.25,0.559,1,1,0.444,0.536,1,1,0.263,0.527,1,1,0.527,0.579,0,1,0.441,0.637,1,1,0.412,0.588,0,1,3,5,3575,[2000:6400],1,0.491,0.717,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,574.866,466.71,108.157,0,0,1045.138,1,2,0,0.0034791,0.866391,31.178,8.973,13.071,3.729,4.761,-4.87,-4.316,-1.886,236.51,-0.819,132.432,-2.841,0,0,1,0.625,3,100,0,0,50.946,2,0,0,9,0,9,9,21,0.00572807678579194,0.12,[0.01:0.25],1,0.319,0.571,16.25,[3:36.17],1,0.219,0.46,-4.93,[-5.29:-4.57],1,0.215,0.486,-10.82,[-10.96:-10.64],0,0.249,0.635,1.95,[1.77:2.13],1,0.492,0.716,0.86,[0.38:1.34],0,0.215,0.481,1,1,0.466608212051804,0.578795608838428,0.43,[0.04:0.84],1,0.322,0.531,3.27,[2.18:4.36],1,0.421,0.354,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,81.7455,0.573,1.609420652,0.919710667,3.5532760461371,1.931218512,0.932527188
O=C(O)CCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCC(C)(C)C,"hydrindane,Custom_43,Custom_26",9850,"hydrindane,Custom_43,Custom_26",0,1,0.206,0.54,1,1,0.404,0.51,1,1,0.267,0.528,1,1,0.534,0.581,1,1,0.468,0.63,1,1,0.42,0.522,0,1,3,5,3575,[2000:6400],1,0.608,0.743,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,598.769,490.545,108.225,0,0,1080.72,1,2,0,0.0033402,0.8505786,32.602,9.263,13.456,3.787,4.987,-5.309,-4.316,-2.142,236.16,-0.856,132.22,-2.842,0,0,1,0.722,3,100,0,0,50.881,2,0,0,9,0,9,9,21,0.0020781815871745,0.12,[0.01:0.25],1,0.304,0.565,16.28,[3:36.2],1,0.22,0.46,-4.93,[-5.29:-4.57],1,0.215,0.486,-10.82,[-10.96:-10.64],0,0.249,0.635,1.83,[1.58:2.08],1,0.503,0.693,1.08,[0.56:1.6],0,0.214,0.432,1,1,0.475288199211434,0.583135602418243,0.15,[-0.24:0.54],1,0.338,0.541,3.28,[2.18:4.38],1,0.417,0.351,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,81.4597,0.573,1.609420652,0.919710667,3.5532760461371,1.931218512,0.932527188
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O=C(O)C[C@H](C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)C(C)C,"hydrindane,Custom_44,Custom_14",9863,"hydrindane,Custom_44,Custom_14",0,1,0.339,0.59,1,1,0.397,0.546,1,1,0.316,0.544,1,1,0.564,0.63,0,1,0.474,0.672,1,1,0.739,0.826,0,1,3,5,3413,[1900:6100],1,0.446,0.605,2,0.45,0,0,0,1,0,5,0,-1,280.45,0,596.391,498.531,97.86,0,0,1046.202,1,2,0,0.0033535,0.8356891,32.505,8.831,13.133,4.152,4.834,-5.591,-4.026,-2.383,296.141,-0.672,168.865,-2.843,0,0,1,0.707,3,100,0,0,47.983,2,0,0,9,0,9,9,20,0.0010318946764319,0.03,[0.02:0.04],1,0.353,0.745,19.47,[10.12:38.43],1,0.232,0.506,-4.81,[-5.15:-4.47],1,0.229,0.504,-10.82,[-10.96:-10.65],1,0.269,0.643,1.83,[1.58:2.08],1,0.513,0.694,1.06,[0.52:1.6],0,0.221,0.424,1,1,0.457784355898207,0.535179234587707,0.72,[0.08:1.36],1,0.325,0.453,2.73,[2.11:3.35],1,0.435,0.515,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,76.9907,0.535,1.609420652,0.919710667,3.53313628827864,1.931218512,0.932527188
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O=C(O)C(C)(C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCC(C)C,"hydrindane,Custom_46,Custom_13",9912,"hydrindane,Custom_46,Custom_13",1,1,0.217,0.498,1,1,0.411,0.513,1,1,0.277,0.542,1,1,0.574,0.729,0,1,0.428,0.655,1,1,0.404,0.618,0,1,3,5,3386,[1900:6000],1,0.436,0.589,2,0.45,2,0,0,1,0,5,0,-1,280.45,0,528.35,457.65,70.701,0,0,980.605,1,2,0,0.0037854,0.9034536,29.879,8.271,12.374,3.803,4.613,-4.345,-4.026,-1.287,535.853,-0.315,320.567,-2.342,0,0,0,0.536,3,100,0,0,39.282,2,0,0,9,0,9,9,20,0.0575927150023348,0.05,[0.01:0.12],1,0.337,0.665,22.98,[10.5:40.85],1,0.224,0.515,-4.71,[-4.95:-4.47],1,0.232,0.569,-10.76,[-10.96:-10.55],0,0.27,0.632,1.84,[1.61:2.07],1,0.691,0.765,1.33,[0.79:1.87],0,0.246,0.424,1,1,0.436291572906618,0.524432843091912,0.44,[0.04:0.85],1,0.369,0.546,2.72,[2.1:3.34],1,0.435,0.517,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,78.6693,0.534,1.609420652,0.919710667,3.52968695377292,1.931218512,0.932527188
O=C(O)C(C)(C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)C(C)C,"hydrindane,Custom_46,Custom_14",9913,"hydrindane,Custom_46,Custom_14",1,1,0.286,0.448,1,1,0.411,0.513,1,1,0.27,0.538,1,1,0.842,0.867,0,1,0.426,0.671,1,1,0.4,0.7,0,1,3,5,3078,[1700:5500],1,0.476,0.553,2,0.45,1,0,0,1,0,4,0,-1,280.45,0,575.731,516.426,59.305,0,0,1017.869,1,2,0,0.0034738,0.8499758,32.013,8.321,12.505,4.06,4.921,-5.375,-4.026,-2.152,687.248,-0.225,419.495,-2.228,0,0,0,0.673,3,100,0,0,37.825,2,0,0,9,0,9,9,20,0.00699615540444371,0.06,[0.01:0.13],1,0.363,0.677,23.08,[10.5:40.89],1,0.22,0.515,-4.62,[-4.9:-4.34],1,0.232,0.548,-10.76,[-10.96:-10.55],0,0.268,0.632,1.84,[1.61:2.07],1,0.694,0.766,1.33,[0.79:1.87],0,0.246,0.424,0,1,0.435586457127624,0.524080285202415,0.71,[0.07:1.35],1,0.324,0.452,2.97,[2.42:3.52],1,0.433,0.595,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,4,2,1,1,37.3,78.301,0.495,1.609420652,0.919710667,3.48826861549546,1.931218512,0.932527188
O=C(O)C(C)(C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC(C)(C)C,"hydrindane,Custom_46,Custom_15",9914,"hydrindane,Custom_46,Custom_15",1,0,0.176,0.459,1,1,0.465,0.518,1,1,0.329,0.487,1,1,0.509,0.744,0,1,0.427,0.698,1,1,0.409,0.704,0,1,3,5,3314,[1900:5900],1,0.406,0.467,2,0.45,1,0,0,1,0,4,0,-1,280.45,0,520.734,450.034,70.701,0,0,964.119,1,2,0,0.0038407,0.9063639,29.862,8.136,12.419,4.006,4.508,-4.369,-4.026,-1.24,535.853,-0.251,320.567,-2.438,0,0,0,0.533,3,100,0,0,39.282,2,0,0,9,0,9,9,20,0.043686372141923,0.06,[0.01:0.13],1,0.323,0.658,23.15,[10.5:40.97],1,0.216,0.513,-4.8,[-5.14:-4.46],1,0.239,0.506,-10.76,[-10.96:-10.55],0,0.258,0.628,1.84,[1.59:2.09],1,0.599,0.725,1.09,[0.45:1.73],0,0.248,0.399,0,1,0.431134936223014,0.52185452475011,0.43,[0.04:0.84],1,0.366,0.545,2.98,[2.42:3.54],1,0.421,0.588,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,4,2,1,1,37.3,79.3793,0.494,1.609420652,0.919710667,3.52035250408332,1.931218512,0.932527188
O=C(O)C(C)(C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)(C)CC,"hydrindane,Custom_46,Custom_16",9915,"hydrindane,Custom_46,Custom_16",0,1,0.19,0.518,1,1,0.385,0.478,1,1,0.33,0.483,1,1,0.484,0.666,0,1,0.426,0.681,1,1,0.396,0.698,0,1,3,5,3313,[1900:5900],1,0.409,0.481,2,0.45,2,0,0,1,0,4,0,-1,280.45,0,525.834,462.952,62.882,0,0,968.488,1,2,0,0.0038035,0.9002836,30.036,8.089,12.303,3.965,4.589,-4.462,-4.026,-1.338,635.612,-0.195,385.533,-2.294,0,0,0,0.544,3,100,0,0,39.201,2,0,0,9,0,9,9,20,0.0491515059118217,0.09,[0.01:0.17],1,0.35,0.65,23.18,[10.5:40.93],1,0.214,0.514,-4.62,[-4.9:-4.34],1,0.23,0.547,-10.76,[-10.96:-10.55],0,0.258,0.628,1.84,[1.61:2.07],1,0.693,0.767,1.33,[0.79:1.87],0,0.243,0.423,0,1,0.433732113773636,0.562357559699345,0.73,[0.09:1.37],1,0.31,0.446,2.97,[2.42:3.52],1,0.427,0.593,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,4,2,1,1,37.3,79.4731,0.494,1.609420652,0.919710667,3.52022143588196,1.931218512,0.932527188
O=C(O)C(C)(C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCCCC,"hydrindane,Custom_46,Custom_17",9916,"hydrindane,Custom_46,Custom_17",1,1,0.218,0.436,1,1,0.364,0.496,1,1,0.271,0.53,1,1,0.573,0.725,0,1,0.429,0.656,1,1,0.409,0.662,0,1,3,5,3581,[2000:6400],1,0.504,0.734,2,0.42857143,2,0,0,1,0,7,0,-1,294.476,0,566.806,502.809,63.997,0,0,1050.779,1,2,0,0.0035285,0.8818709,31.403,8.768,12.605,3.409,5.106,-4.722,-4.316,-1.636,620.324,-0.407,375.52,-2.027,0,0,0,0.643,3,93.865,0,0,39.158,2,1,0,9,0,9,9,21,0.0524416441748619,0.06,[0.01:0.13],1,0.354,0.683,22.99,[10.5:40.72],1,0.219,0.515,-4.92,[-5.29:-4.55],1,0.213,0.484,-10.76,[-10.96:-10.55],0,0.264,0.63,1.81,[1.56:2.06],1,0.456,0.68,1.33,[0.79:1.87],0,0.242,0.423,1,1,0.438511545485412,0.52554282938131,0.44,[0.04:0.85],1,0.345,0.54,3.37,[2.18:4.56],1,0.424,0.341,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,77.4948,0.573,1.609420652,0.919710667,3.5540043210119,1.931218512,0.932527188
O=C(O)C(C)(C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)CCCC,"hydrindane,Custom_46,Custom_18",9917,"hydrindane,Custom_46,Custom_18",1,1,0.271,0.441,1,1,0.404,0.51,1,1,0.27,0.53,1,1,0.54,0.728,0,1,0.431,0.716,1,1,0.409,0.671,0,1,4,5,6178,[3500:11000],1,0.593,0.742,2,0.42857143,2,0,0,1,0,6,0,-1,294.476,0,549.755,486.557,63.199,0,0,1030.535,1,2,0,0.003638,0.897506,31.235,8.643,12.709,3.583,4.984,-4.573,-4.316,-1.383,631.228,-0.321,382.66,-2.108,0,0,0,0.632,3,100,0,0,39.34,2,0,0,9,0,9,9,21,0.0613392114791421,0.06,[0.01:0.13],1,0.355,0.677,23.06,[10.5:40.74],1,0.215,0.514,-4.82,[-5.16:-4.48],1,0.217,0.501,-10.76,[-10.96:-10.55],0,0.258,0.628,1.83,[1.58:2.08],1,0.53,0.701,1.33,[0.79:1.87],0,0.238,0.421,1,1,0.434480420358224,0.523527266817715,0.71,[0.07:1.35],1,0.322,0.454,2.66,[2.14:3.18],1,0.416,0.53,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,6,2,1,1,37.3,80.2069,0.534,1.609420652,0.919710667,3.79084790396543,1.931218512,0.932527188
O=C(O)C(C)(C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@H](C)CCC,"hydrindane,Custom_46,Custom_19",9918,"hydrindane,Custom_46,Custom_19",1,1,0.214,0.496,1,1,0.404,0.51,1,1,0.27,0.53,1,1,0.502,0.721,0,1,0.429,0.699,1,1,0.41,0.705,0,1,4,5,6178,[3500:11000],1,0.593,0.736,2,0.42857143,2,0,0,1,0,6,0,-1,294.476,0,593.388,512.578,80.809,0,0,1064.393,1,2,0,0.0033705,0.8496262,32.59,8.914,13.021,3.808,5.071,-5.373,-4.316,-2.158,429.722,-0.544,252.526,-2.433,0,0,0,0.718,3,90.809,0,0,39.292,2,1,0,9,0,9,9,21,0.00460353670903826,0.06,[0.01:0.13],1,0.348,0.674,23.07,[10.5:40.78],1,0.216,0.514,-4.82,[-5.16:-4.48],1,0.22,0.501,-10.76,[-10.96:-10.55],0,0.258,0.628,1.83,[1.58:2.08],1,0.562,0.714,1.33,[0.79:1.87],0,0.241,0.422,1,1,0.435300650500202,0.523937381888705,0.71,[0.08:1.34],1,0.334,0.459,2.66,[2.13:3.19],1,0.419,0.528,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,6,2,1,1,37.3,82.1607,0.534,1.609420652,0.919710667,3.79084790396543,1.931218512,0.932527188
O=C(O)C(C)(C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC[C@H](C)CC,"hydrindane,Custom_46,Custom_20",9919,"hydrindane,Custom_46,Custom_20",1,1,0.269,0.441,1,1,0.404,0.51,1,1,0.271,0.53,1,1,0.872,0.857,0,1,0.428,0.677,1,1,0.403,0.581,0,1,4,5,6178,[3500:11000],1,0.593,0.728,2,0.42857143,2,0,0,1,0,6,0,-1,294.476,0,561.734,497.404,64.33,0,0,1040.382,1,2,0,0.0035604,0.8839542,31.63,8.683,12.746,3.62,5.037,-4.792,-4.316,-1.602,615.831,-0.347,372.581,-2.129,0,0,0,0.657,3,93.406,0,0,38.808,2,1,0,9,0,9,9,21,0.0352906178646621,0.06,[0.01:0.13],1,0.34,0.672,23.07,[10.5:40.77],1,0.216,0.514,-4.82,[-5.16:-4.48],1,0.216,0.501,-10.76,[-10.96:-10.55],0,0.258,0.628,1.83,[1.59:2.07],1,0.579,0.721,1.33,[0.79:1.87],0,0.24,0.422,1,1,0.435611351607106,0.524092732442156,0.71,[0.08:1.34],1,0.335,0.46,2.66,[2.13:3.19],1,0.42,0.527,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,6,2,1,1,37.3,81.7471,0.534,1.609420652,0.919710667,3.79084790396543,1.931218512,0.932527188
O=C(O)C(C)(C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCC(C)C,"hydrindane,Custom_46,Custom_21",9920,"hydrindane,Custom_46,Custom_21",1,1,0.217,0.499,1,1,0.404,0.51,1,1,0.27,0.53,1,1,0.57,0.722,0,1,0.431,0.658,1,1,0.417,0.669,0,1,4,5,6178,[3500:11000],1,0.593,0.729,2,0.42857143,2,0,0,1,0,6,0,-1,294.476,0,566.815,496.156,70.658,0,0,1044.277,1,2,0,0.0035285,0.8782156,31.785,8.742,12.851,3.675,5.017,-4.885,-4.316,-1.695,536.347,-0.409,320.886,-2.246,0,0,0,0.667,3,92.216,0,0,39.268,2,1,0,9,0,9,9,21,0.0217735145185764,0.06,[0.01:0.13],1,0.331,0.668,23.07,[10.5:40.79],1,0.216,0.514,-4.82,[-5.16:-4.48],1,0.219,0.501,-10.76,[-10.96:-10.55],0,0.258,0.628,1.84,[1.6:2.08],1,0.602,0.731,1.34,[0.8:1.88],0,0.239,0.422,1,1,0.437155630438793,0.524864871858,0.44,[0.04:0.85],1,0.348,0.541,2.66,[2.12:3.2],1,0.42,0.525,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,6,2,1,1,37.3,81.5809,0.534,1.609420652,0.919710667,3.79084790396543,1.931218512,0.932527188
O=C(O)C(C)(C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)[C@H](C)CC,"hydrindane,Custom_46,Custom_22",9921,"hydrindane,Custom_46,Custom_22",1,1,0.294,0.451,1,1,0.404,0.51,1,1,0.268,0.529,1,1,0.586,0.741,0,1,0.427,0.673,1,1,0.4,0.7,0,1,3,5,4257,[2400:7600],1,0.493,0.739,2,0.42857143,2,0,0,1,0,5,0,-1,294.476,0,541.634,488.211,53.423,0,0,1024.359,1,2,0,0.0036925,0.9073203,31.63,8.565,12.827,3.718,5.014,-4.587,-4.316,-1.224,781.432,-0.17,481.965,-2.024,0,0,0,0.659,3,95.122,0,0,37.825,2,1,0,9,0,9,9,21,0.0720356002047559,0.06,[0.01:0.13],1,0.362,0.679,23.15,[10.5:40.81],1,0.211,0.513,-4.62,[-4.9:-4.34],1,0.219,0.542,-10.76,[-10.96:-10.55],0,0.255,0.627,1.83,[1.58:2.08],1,0.558,0.712,1.33,[0.79:1.87],0,0.241,0.422,0,1,0.436061647676246,0.524317880476726,0.73,[0.09:1.37],1,0.294,0.443,2.66,[2.16:3.16],1,0.411,0.539,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,5,2,1,1,37.3,81.3788,0.495,1.609420652,0.919710667,3.62910365017714,1.931218512,0.932527188
O=C(O)C(C)(C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@H](C)C(C)C,"hydrindane,Custom_46,Custom_23",9922,"hydrindane,Custom_46,Custom_23",1,1,0.271,0.441,1,1,0.404,0.51,1,1,0.271,0.53,1,1,0.841,0.864,0,1,0.43,0.664,1,1,0.406,0.582,0,1,4,5,6517,[3700:12000],1,0.508,0.746,2,0.42857143,2,0,0,1,0,5,0,-1,294.476,0,553.523,484.91,68.613,0,0,1026.977,1,2,0,0.0036132,0.8893443,31.735,8.613,12.938,3.85,4.922,-4.805,-4.316,-1.515,560.845,-0.316,336.757,-2.304,0,0,0,0.663,3,100,0,0,39.282,2,0,0,9,0,9,9,21,0.022920615114351,0.05,[0:0.12],1,0.344,0.667,23.16,[10.5:40.84],1,0.212,0.513,-4.82,[-5.16:-4.48],1,0.22,0.502,-10.76,[-10.96:-10.55],0,0.255,0.627,1.84,[1.61:2.07],1,0.626,0.742,1.33,[0.79:1.87],0,0.244,0.423,0,1,0.430585723185113,0.52157991823116,0.71,[0.07:1.35],1,0.322,0.454,2.66,[2.15:3.17],1,0.416,0.537,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,5,2,1,1,37.3,83.1664,0.495,1.609420652,0.919710667,3.8140477209956,1.931218512,0.932527188
O=C(O)C(C)(C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)(C)CCC,"hydrindane,Custom_46,Custom_24",9923,"hydrindane,Custom_46,Custom_24",0,1,0.226,0.535,1,1,0.345,0.458,1,1,0.326,0.481,1,1,0.831,0.915,0,1,0.434,0.697,1,1,0.401,0.691,0,1,3,5,3417,[1900:6100],1,0.62,0.772,2,0.42857143,2,0,0,1,0,5,0,-1,294.476,0,544.887,482.005,62.882,0,0,1015.862,1,2,0,0.0036705,0.896909,31.29,8.505,12.743,3.79,4.892,-4.647,-4.316,-1.393,635.612,-0.259,385.533,-2.198,0,0,0,0.633,3,100,0,0,39.201,2,0,0,9,0,9,9,21,0.0420509655141963,0.05,[0:0.12],1,0.356,0.67,17.85,[10.5:29.38],1,0.206,0.542,-4.82,[-5.16:-4.48],1,0.221,0.502,-10.76,[-10.96:-10.55],0,0.246,0.624,1.84,[1.6:2.08],1,0.603,0.732,1.33,[0.79:1.87],0,0.239,0.421,0,1,0.437489560125146,0.564236282875099,0.73,[0.09:1.37],1,0.294,0.442,2.67,[2.17:3.17],1,0.402,0.536,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,5,2,1,1,37.3,82.7983,0.494,1.609420652,0.919710667,3.53364497879876,1.931218512,0.932527188
O=C(O)C(C)(C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC(C)(C)CC,"hydrindane,Custom_46,Custom_25",9924,"hydrindane,Custom_46,Custom_25",1,0,0.197,0.482,1,1,0.425,0.498,1,1,0.326,0.485,1,1,0.809,0.876,0,1,0.435,0.702,1,1,0.422,0.675,0,1,3,5,3418,[1900:6100],1,0.626,0.771,2,0.42857143,2,0,0,1,0,5,0,-1,294.476,0,531.457,461.055,70.402,0,0,995.791,1,2,0,0.0037632,0.9074216,30.487,8.428,12.649,3.809,4.713,-4.402,-4.316,-1.223,539.364,-0.308,322.837,-2.337,0,0,0,0.579,3,100,0,0,39.268,2,0,0,9,0,9,9,21,0.0537548937363456,0.06,[0:0.14],1,0.333,0.662,23.24,[10.5:40.89],1,0.207,0.512,-4.82,[-5.16:-4.48],1,0.223,0.502,-10.76,[-10.96:-10.55],0,0.246,0.624,1.84,[1.6:2.08],1,0.578,0.721,1.33,[0.79:1.87],0,0.244,0.423,0,1,0.434377367171965,0.523475740224586,0.71,[0.07:1.35],1,0.322,0.453,2.66,[2.15:3.17],1,0.408,0.535,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,5,2,1,1,37.3,84.2277,0.494,1.609420652,0.919710667,3.53377205838472,1.931218512,0.932527188
O=C(O)C(C)(C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCC(C)(C)C,"hydrindane,Custom_46,Custom_26",9925,"hydrindane,Custom_46,Custom_26",1,0,0.168,0.455,1,1,0.465,0.518,1,1,0.326,0.485,1,1,0.54,0.728,0,1,0.433,0.701,1,1,0.407,0.616,0,1,3,5,3419,[1900:6100],1,0.506,0.727,2,0.42857143,2,0,0,1,0,5,0,-1,294.476,0,558.826,490.156,68.671,0,0,1035.482,1,2,0,0.0035789,0.8857615,32.076,8.676,13.037,3.863,4.976,-4.902,-4.316,-1.573,560.141,-0.321,336.3,-2.305,0,0,0,0.686,3,100,0,0,39.282,2,0,0,9,0,9,9,21,0.0182850123654813,0.06,[0:0.14],1,0.315,0.655,22.53,[10.5:40.33],1,0.208,0.513,-4.81,[-5.15:-4.47],1,0.222,0.5,-10.76,[-10.96:-10.55],0,0.246,0.624,1.84,[1.59:2.09],1,0.547,0.708,1.33,[0.79:1.87],0,0.243,0.423,0,1,0.431184441583147,0.497346384239719,0.44,[0.04:0.85],1,0.351,0.542,2.66,[2.15:3.17],1,0.408,0.531,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,5,2,1,1,37.3,83.9419,0.494,1.609420652,0.919710667,3.53389910079659,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C,"hydrindane,Custom_47,Custom_1",9926,"hydrindane,Custom_47,Custom_1",0,1,0.354,0.572,1,1,0.419,0.56,1,1,0.418,0.64,0,1,0.45,0.725,0,1,0.776,0.832,1,1,0.415,0.531,0,1,4,5,6288,[3500:11000],1,0.421,0.685,2,0.52941176,1,0,0,1,0,5,0,-1,238.369,0,502.715,394.559,108.156,0,0,882.046,1,2,0,0.0039784,0.8847839,25.935,7.51,11.26,3.996,3.719,-3.879,-3.164,-1.589,236.514,-0.659,132.434,-3.033,0,0,1,0.258,3,91.21,0,0,50.947,2,0,0,9,0,9,9,17,0.0292379602703946,0.02,[0.01:0.03],1,0.346,0.753,6.18,[0.01:27.99],1,0.261,0.387,-4.68,[-4.91:-4.45],1,0.258,0.576,-10.79,[-10.96:-10.62],1,0.355,0.682,1.86,[1.52:2.2],1,0.41,0.628,0.71,[0.3:1.12],0,0.233,0.517,1,1,0.490314691766398,0.551444402521802,-0.1,[-0.33:0.13],1,0.356,0.606,3.27,[2.47:4.07],1,0.462,0.488,238.193280072,43,17,15,2,0,0,2,0,0.933333333333333,5,2,1,1,37.3,61.6598,0.652,1.568343624,0.914081282,3.79851253303135,1.928734681,0.924826502
O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC,"hydrindane,Custom_47,Custom_3",9927,"hydrindane,Custom_47,Custom_3",0,1,0.333,0.571,1,1,0.412,0.556,1,1,0.37,0.614,0,1,0.452,0.681,0,1,0.529,0.677,1,1,0.426,0.547,0,1,3,5,3527,[2000:6300],1,0.638,0.832,2,0.5,1,0,0,1,0,6,0,-1,252.396,0,520.646,422.554,98.092,0,0,924.113,1,2,0,0.0038414,0.8812635,26.976,7.823,11.439,3.75,4.057,-4.042,-3.45,-1.646,294.64,-0.64,167.94,-2.751,0,0,1,0.332,3,94.898,0,0,47.983,2,0,0,9,0,9,9,18,0.0406416697760449,0.02,[0:0.04],1,0.363,0.761,19.62,[10.12:39.01],1,0.254,0.511,-4.79,[-5.12:-4.46],1,0.246,0.517,-10.82,[-10.97:-10.65],1,0.328,0.678,1.88,[1.53:2.23],1,0.397,0.621,0.71,[0.3:1.13],0,0.222,0.513,1,1,0.480220536995343,0.546397325136275,0.14,[-0.19:0.47],1,0.361,0.569,3.29,[2.58:4],1,0.414,0.54,252.208930136,46,18,16,2,0,0,2,0,0.9375,6,2,1,1,37.3,64.7376,0.652,1.65465485,0.920814116,3.54740545966749,1.974165103,0.935447087
O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCC,"hydrindane,Custom_47,Custom_4",9928,"hydrindane,Custom_47,Custom_4",0,1,0.285,0.63,1,1,0.405,0.551,1,1,0.285,0.537,0,1,0.538,0.629,0,1,0.493,0.642,1,1,0.426,0.544,0,1,3,5,4173,[2300:7400],1,0.479,0.476,2,0.47368421,1,0,0,1,0,7,0,-1,266.423,0,552.254,454.143,98.111,0,0,982.452,1,2,0,0.0036215,0.8654332,28.669,8.309,11.913,3.606,4.428,-4.456,-3.738,-1.902,294.518,-0.732,167.865,-2.656,0,0,1,0.449,3,100,0,0,47.724,2,0,0,9,0,9,9,19,0.0206029744660008,0.02,[0:0.04],1,0.358,0.756,19.58,[10.12:38.72],1,0.248,0.511,-4.81,[-5.14:-4.48],1,0.235,0.509,-10.82,[-10.97:-10.65],1,0.309,0.669,1.81,[1.55:2.07],1,0.41,0.661,0.88,[0.42:1.34],0,0.219,0.491,1,1,0.470919930772199,0.580951468198626,0.45,[0.04:0.87],1,0.358,0.542,3.25,[2.28:4.2],1,0.426,0.388,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,7,2,1,1,37.3,69.1894,0.652,1.624709484,0.918686155,3.62044838471171,1.949404529,0.934024125
O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)C,"hydrindane,Custom_47,Custom_5",9929,"hydrindane,Custom_47,Custom_5",0,1,0.322,0.611,1,1,0.405,0.551,1,1,0.288,0.537,1,1,0.489,0.606,0,1,0.524,0.625,1,1,0.421,0.544,0,1,4,5,6233,[3500:11000],1,0.507,0.713,2,0.47368421,1,0,0,1,0,6,0,-1,266.423,0,546.314,438.248,108.066,0,0,973.965,1,2,0,0.0036609,0.8697971,28.971,8.316,12.267,3.88,4.306,-4.51,-3.738,-1.831,236.978,-0.75,132.716,-2.935,0,0,1,0.469,3,94.658,0,0,50.879,2,0,0,9,0,9,9,19,0.00955591018155697,0.03,[0.02:0.04],1,0.346,0.746,19.59,[10.12:38.71],1,0.245,0.51,-4.8,[-5.13:-4.47],1,0.235,0.51,-10.82,[-10.97:-10.65],1,0.293,0.663,1.82,[1.56:2.08],1,0.457,0.671,0.86,[0.38:1.34],0,0.215,0.481,1,1,0.483998298788811,0.587490652206932,0.45,[0.04:0.87],1,0.362,0.543,2.95,[2.09:3.81],1,0.425,0.442,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,6,2,1,1,37.3,70.1951,0.613,1.624709484,0.918686155,3.794697126892,1.949404529,0.934024125
O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCC,"hydrindane,Custom_47,Custom_6",9930,"hydrindane,Custom_47,Custom_6",0,1,0.32,0.648,1,1,0.439,0.568,1,1,0.317,0.549,0,1,0.539,0.627,0,1,0.451,0.644,1,1,0.435,0.51,0,1,3,5,4426,[2500:7900],1,0.518,0.47,2,0.45,1,0,0,1,0,8,0,-1,280.45,0,588.698,482.677,106.021,0,0,1046.266,1,2,0,0.0033973,0.8466441,30.581,8.913,12.556,3.527,4.78,-4.961,-4.026,-2.206,247.803,-0.905,139.28,-2.705,0,0,1,0.582,3,100,0,0,50.049,2,0,0,9,0,9,9,20,0.00604032401633065,0.02,[0:0.04],1,0.366,0.758,19.67,[10.12:38.63],1,0.239,0.509,-4.91,[-5.27:-4.55],1,0.225,0.491,-10.82,[-10.97:-10.65],1,0.292,0.662,1.82,[1.56:2.08],1,0.385,0.654,1.08,[0.56:1.6],0,0.215,0.433,1,1,0.462808732665192,0.576895869145122,0.45,[0.04:0.86],1,0.352,0.541,3.14,[2.24:4.04],1,0.439,0.408,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,8,2,1,1,37.3,72.101,0.652,1.609420652,0.919710667,3.64601140959124,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)CC,"hydrindane,Custom_47,Custom_7",9931,"hydrindane,Custom_47,Custom_7",0,1,0.3,0.61,1,1,0.359,0.527,1,1,0.609,0.693,1,1,0.572,0.557,0,1,0.53,0.62,1,1,0.419,0.573,0,1,3,5,3600,[2000:6400],1,0.45,0.461,2,0.45,1,0,0,1,0,7,0,-1,280.45,0,569.354,461.288,108.066,0,0,1023.628,1,2,0,0.0035128,0.8627353,30.317,8.759,12.692,3.715,4.623,-4.769,-4.026,-1.946,236.978,-0.826,132.716,-2.839,0,0,1,0.564,3,96.517,0,0,50.879,2,0,0,9,0,9,9,20,0.0069114966301953,0.02,[0:0.04],1,0.362,0.756,19.67,[10.12:38.62],1,0.235,0.508,-4.91,[-5.27:-4.55],1,0.224,0.491,-10.82,[-10.96:-10.65],1,0.277,0.646,1.82,[1.56:2.08],1,0.401,0.659,0.86,[0.38:1.34],0,0.212,0.48,1,1,0.47222870430781,0.581605854966432,0.44,[0.04:0.85],1,0.345,0.539,2.87,[2.06:3.68],1,0.44,0.44,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,73.2729,0.613,1.609420652,0.919710667,3.55630250076729,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC(C)C,"hydrindane,Custom_47,Custom_8",9932,"hydrindane,Custom_47,Custom_8",0,1,0.572,0.739,1,1,0.439,0.567,1,1,0.61,0.694,1,1,0.577,0.582,0,1,0.485,0.647,1,1,0.42,0.547,0,1,3,5,3601,[2000:6400],1,0.507,0.474,2,0.45,1,0,0,1,0,7,0,-1,280.45,0,578.16,470.1,108.061,0,0,1034.245,1,2,0,0.0034592,0.8554585,30.742,8.837,12.779,3.736,4.69,-4.931,-4.026,-2.063,237.006,-0.843,132.733,-2.839,0,0,1,0.592,3,96.909,0,0,50.939,2,0,0,9,0,9,9,20,0.00476584988138452,0.02,[0:0.04],1,0.343,0.749,19.68,[10.12:38.63],1,0.237,0.508,-4.91,[-5.27:-4.55],1,0.226,0.491,-10.82,[-10.96:-10.65],1,0.277,0.646,1.82,[1.57:2.07],1,0.454,0.679,0.86,[0.38:1.34],0,0.215,0.482,1,1,0.476706820041899,0.583844912833476,0.44,[0.04:0.85],1,0.352,0.541,3.09,[2.2:3.98],1,0.436,0.408,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,75.0605,0.613,1.609420652,0.919710667,3.55642312137129,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)(C)C,"hydrindane,Custom_47,Custom_9",9933,"hydrindane,Custom_47,Custom_9",1,1,0.217,0.5,1,1,0.411,0.519,1,1,0.272,0.532,0,1,0.478,0.67,1,1,0.433,0.62,1,1,0.414,0.605,0,1,4,5,6988,[3900:12000],1,0.47,0.726,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,554.027,445.96,108.067,0,0,1001.632,1,2,0,0.0036099,0.8738558,30.079,8.593,12.743,3.899,4.484,-4.651,-4.026,-1.766,236.975,-0.742,132.714,-2.935,0,0,1,0.547,3,95.701,0,0,50.879,2,0,0,9,0,9,9,20,0.00726926185796533,0.03,[0.02:0.04],1,0.324,0.74,30.18,[10.5:77.79],1,0.228,0.44,-4.81,[-5.14:-4.48],1,0.222,0.503,-10.82,[-10.96:-10.64],0,0.26,0.639,1.83,[1.58:2.08],1,0.535,0.704,1.06,[0.52:1.6],0,0.209,0.42,1,1,0.464684927699388,0.57783396666222,0.45,[0.04:0.86],1,0.349,0.54,2.85,[2.06:3.64],1,0.43,0.446,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,75.0541,0.573,1.609420652,0.919710667,3.84435289631089,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCCC,"hydrindane,Custom_47,Custom_10",9934,"hydrindane,Custom_47,Custom_10",0,1,0.313,0.645,1,1,0.434,0.564,1,1,0.35,0.589,0,1,0.543,0.608,0,1,0.531,0.626,1,1,0.433,0.52,0,1,3,5,3668,[2100:6500],1,0.427,0.455,2,0.42857143,1,0,0,1,0,9,0,-1,294.476,0,612.125,518.783,93.343,0,0,1095.422,1,2,0,0.0032673,0.8395479,31.906,9.276,12.757,3.276,5.182,-5.23,-4.316,-2.321,326.838,-0.862,187.862,-2.376,0,0,1,0.677,3,89.333,0,0,47.452,2,1,0,9,0,9,9,21,0.00730734099769452,0.02,[0:0.04],1,0.373,0.761,30.21,[10.5:77.71],1,0.228,0.441,-4.93,[-5.29:-4.57],1,0.214,0.487,-10.82,[-10.96:-10.65],1,0.278,0.646,1.82,[1.56:2.08],1,0.354,0.643,1.08,[0.56:1.6],0,0.211,0.431,1,1,0.45490352398479,0.572943264804922,0.16,[-0.24:0.56],1,0.334,0.538,3.53,[2.33:4.73],1,0.42,0.333,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,9,2,1,1,37.3,75.0126,0.652,1.609420652,0.919710667,3.56442932699798,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)CCC,"hydrindane,Custom_47,Custom_11",9935,"hydrindane,Custom_47,Custom_11",0,1,0.303,0.642,1,1,0.433,0.564,1,1,0.345,0.586,1,1,0.58,0.561,0,1,0.572,0.635,1,1,0.423,0.558,0,1,3,5,4400,[2500:7800],1,0.437,0.458,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,600.816,492.66,108.156,0,0,1082.498,1,2,0,0.0033288,0.8486108,32.031,9.275,13.181,3.571,4.998,-5.184,-4.316,-2.174,236.514,-0.92,132.434,-2.745,0,0,1,0.684,3,100,0,0,50.947,2,0,0,9,0,9,9,21,0.00346823203203611,0.03,[0.01:0.04],1,0.354,0.754,30.21,[10.5:77.78],1,0.225,0.44,-4.93,[-5.29:-4.57],1,0.216,0.487,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.398,0.659,1.08,[0.56:1.6],0,0.209,0.43,1,1,0.46201298557862,0.576497995601836,0.45,[0.04:0.86],1,0.325,0.533,3.44,[2.24:4.64],1,0.431,0.337,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,77.7247,0.613,1.609420652,0.919710667,3.64345267648619,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@@H](C)CC,"hydrindane,Custom_47,Custom_12",9936,"hydrindane,Custom_47,Custom_12",0,1,0.311,0.644,1,1,0.433,0.564,1,1,0.344,0.585,1,1,0.575,0.6,0,1,0.448,0.62,1,1,0.434,0.524,0,1,3,5,4400,[2500:7800],1,0.445,0.46,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,587.271,492.416,94.855,0,0,1073.939,1,2,0,0.0034056,0.8636003,31.688,9.139,12.999,3.448,5.038,-4.935,-4.316,-1.932,316.22,-0.767,181.274,-2.5,0,0,1,0.663,3,88.23,0,0,47.983,2,1,0,9,0,9,9,21,0.0108203806549124,0.03,[0.01:0.04],1,0.358,0.756,30.24,[10.5:77.78],1,0.226,0.44,-4.92,[-5.28:-4.56],1,0.216,0.487,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.387,0.655,0.86,[0.38:1.34],0,0.212,0.48,1,1,0.467208999761858,0.579096002693455,0.44,[0.04:0.85],1,0.33,0.535,3.44,[2.24:4.64],1,0.43,0.336,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,78.1383,0.613,1.609420652,0.919710667,3.64345267648619,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCC(C)C,"hydrindane,Custom_47,Custom_13",9937,"hydrindane,Custom_47,Custom_13",0,1,0.274,0.593,1,1,0.433,0.564,1,1,0.349,0.59,1,1,0.538,0.583,0,1,0.441,0.617,1,1,0.436,0.515,0,1,3,5,4401,[2500:7800],1,0.451,0.461,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,610.494,503.173,107.321,0,0,1093.206,1,2,0,0.003276,0.8406561,32.459,9.356,13.243,3.588,5.072,-5.362,-4.316,-2.303,240.864,-0.931,135.069,-2.729,0,0,1,0.713,3,86.311,0,0,50.54,2,1,0,9,0,9,9,21,0.00238433226402916,0.06,[0.01:0.13],1,0.326,0.675,30.25,[10.5:77.77],1,0.226,0.44,-4.92,[-5.28:-4.56],1,0.215,0.487,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.452,0.68,1.08,[0.56:1.6],0,0.212,0.432,1,1,0.470776476502413,0.580879741063733,0.16,[-0.24:0.56],1,0.337,0.539,3.44,[2.24:4.64],1,0.427,0.334,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,79.0987,0.613,1.609420652,0.919710667,3.64355136856294,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)C(C)C,"hydrindane,Custom_47,Custom_14",9938,"hydrindane,Custom_47,Custom_14",0,1,0.59,0.757,1,1,0.353,0.523,1,1,0.342,0.582,1,1,0.569,0.556,0,1,0.529,0.619,1,1,0.421,0.562,0,1,3,5,3634,[2000:6500],1,0.425,0.462,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,647.789,539.633,108.156,0,0,1125.805,1,2,0,0.0030874,0.8079289,34.406,9.652,13.636,3.904,5.27,-6.213,-4.316,-2.832,236.514,-0.963,132.434,-2.841,0,0,1,0.842,1,87.332,0,0,50.947,2,1,1,9,0,9,9,21,0.000260180193449411,0.06,[0.01:0.13],1,0.342,0.681,16.28,[3:36.19],1,0.223,0.461,-4.92,[-5.28:-4.56],1,0.216,0.487,-10.82,[-10.96:-10.64],0,0.257,0.638,1.82,[1.57:2.07],1,0.439,0.675,1.06,[0.52:1.6],0,0.21,0.42,1,1,0.461977954446399,0.576480480035726,0.44,[0.04:0.85],1,0.316,0.53,3.36,[2.17:4.55],1,0.43,0.34,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,78.7304,0.574,1.609420652,0.919710667,3.56038492297202,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC(C)(C)C,"hydrindane,Custom_47,Custom_15",9939,"hydrindane,Custom_47,Custom_15",0,1,0.497,0.749,1,1,0.364,0.496,1,1,0.261,0.526,1,1,0.571,0.613,0,1,0.808,0.814,1,1,0.569,0.618,0,1,3,5,3573,[2000:6400],1,0.608,0.741,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,590.496,482.338,108.158,0,0,1067.191,1,2,0,0.003387,0.855283,32.06,9.147,13.296,3.766,4.901,-5.157,-4.316,-2.066,236.506,-0.844,132.43,-2.841,0,0,1,0.685,3,100,0,0,50.947,2,0,0,9,0,9,9,21,0.00295817631780532,0.06,[0.01:0.13],1,0.312,0.664,16.28,[3:36.19],1,0.221,0.46,-4.93,[-5.29:-4.57],1,0.215,0.486,-10.82,[-10.96:-10.64],0,0.248,0.635,1.95,[1.77:2.13],1,0.495,0.717,0.86,[0.38:1.34],0,0.213,0.481,1,1,0.463379853449028,0.57718142953704,0.44,[0.04:0.85],1,0.338,0.537,3.28,[2.18:4.38],1,0.418,0.35,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,79.8087,0.573,1.609420652,0.919710667,3.55303301620244,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)(C)CC,"hydrindane,Custom_47,Custom_16",9940,"hydrindane,Custom_47,Custom_16",1,1,0.262,0.438,1,1,0.404,0.516,1,1,0.262,0.527,0,1,0.779,0.798,1,1,0.439,0.612,1,1,0.418,0.57,0,1,3,5,3573,[2000:6400],1,0.511,0.734,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,577.539,469.383,108.156,0,0,1044.373,1,2,0,0.003463,0.8619612,31.147,8.952,13.011,3.735,4.755,-4.919,-4.316,-1.958,236.514,-0.829,132.434,-2.841,0,0,1,0.622,3,100,0,0,50.947,2,0,0,9,0,9,9,21,0.00511663948099965,0.06,[0.01:0.13],1,0.331,0.674,16.18,[3:36.09],1,0.218,0.459,-4.92,[-5.28:-4.56],1,0.212,0.486,-10.82,[-10.96:-10.64],0,0.248,0.635,1.82,[1.57:2.07],1,0.463,0.684,1.06,[0.52:1.6],0,0.207,0.419,1,1,0.453273615796212,0.532923864536709,0.45,[0.04:0.86],1,0.308,0.527,3.37,[2.18:4.56],1,0.425,0.34,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,79.9025,0.573,1.609420652,0.919710667,3.55303301620244,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCCCC,"hydrindane,Custom_47,Custom_17",9941,"hydrindane,Custom_47,Custom_17",0,1,0.303,0.641,1,1,0.429,0.561,1,1,0.341,0.587,0,1,0.542,0.611,0,1,0.57,0.626,1,1,0.434,0.524,0,1,3,5,4111,[2300:7300],1,0.401,0.501,2,0.40909091,1,0,0,1,0,10,0,-2,308.503,0,640.854,533.532,107.321,0,0,1155.218,1,2,0,0.0031208,0.8308365,33.657,9.93,13.538,3.22,5.469,-5.597,-4.606,-2.462,240.864,-1.076,135.069,-2.537,0,0,1,0.801,3,88.64,0,0,50.54,2,1,0,9,0,9,9,22,0.00226669663621916,0.03,[0.01:0.04],1,0.371,0.761,16.38,[3:36.22],1,0.218,0.46,-4.94,[-5.3:-4.58],1,0.203,0.483,-10.82,[-10.96:-10.65],0,0.266,0.642,1.82,[1.56:2.08],1,0.322,0.632,1.09,[0.57:1.61],0,0.21,0.43,1,1,0.446994708450876,0.568988857037964,0.09,[-0.33:0.51],1,0.308,0.534,4.11,[3.03:5],1,0.408,0.356,308.271530392001,58,22,20,2,0,0,2,0,0.95,10,2,1,1,37.3,77.9242,0.652,1.609420652,0.919710667,3.61394747678035,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)CCCC,"hydrindane,Custom_47,Custom_18",9942,"hydrindane,Custom_47,Custom_18",0,1,0.295,0.638,1,1,0.429,0.56,1,1,0.378,0.636,1,1,0.883,0.712,1,1,0.57,0.646,1,1,0.432,0.565,0,1,4,5,5291,[3000:9400],1,0.351,0.441,2,0.40909091,1,0,0,1,0,9,0,-2,308.503,0,632.413,524.257,108.156,0,0,1140.899,1,2,0,0.0031625,0.8349539,33.726,9.804,13.657,3.426,5.372,-5.604,-4.606,-2.395,236.514,-1.013,132.434,-2.649,0,0,1,0.804,3,87.928,0,0,50.947,2,1,0,9,0,9,9,22,0.00172577703457349,0.03,[0.01:0.04],1,0.352,0.754,16.24,[3:36.09],1,0.216,0.459,-4.94,[-5.3:-4.58],1,0.206,0.484,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.357,0.645,1.08,[0.56:1.6],0,0.206,0.429,1,1,0.453636159565691,0.572309582595372,0.33,[-0.22:0.88],1,0.301,0.492,4.1,[2.97:5],1,0.416,0.355,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,80.6363,0.613,1.609420652,0.919710667,3.72353776153206,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@H](C)CCC,"hydrindane,Custom_47,Custom_19",9943,"hydrindane,Custom_47,Custom_19",0,1,0.264,0.586,1,1,0.429,0.56,1,1,0.334,0.583,1,1,0.882,0.732,0,1,0.567,0.642,1,1,0.422,0.524,0,1,4,5,5292,[3000:9400],1,0.415,0.46,2,0.40909091,1,0,0,1,0,9,0,-2,308.503,0,636.889,528.733,108.156,0,0,1144.029,1,2,0,0.0031403,0.8306018,33.851,9.83,13.652,3.437,5.391,-5.686,-4.606,-2.466,236.514,-1.024,132.434,-2.649,0,0,1,0.812,3,88.042,0,0,50.947,2,1,0,9,0,9,9,22,0.001426891441773,0.06,[0.01:0.12],1,0.345,0.684,16.29,[3:36.14],1,0.216,0.459,-4.94,[-5.3:-4.58],1,0.206,0.483,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.372,0.651,1.06,[0.52:1.6],0,0.208,0.419,1,1,0.457415149485548,0.5741990775553,0.32,[-0.23:0.87],1,0.307,0.494,4.04,[2.93:5],1,0.414,0.35,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,82.5901,0.613,1.609420652,0.919710667,3.72361983551546,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC[C@H](C)CC,"hydrindane,Custom_47,Custom_20",9944,"hydrindane,Custom_47,Custom_20",0,1,0.3,0.64,1,1,0.429,0.56,1,1,0.34,0.588,1,1,0.536,0.582,0,1,0.524,0.606,1,1,0.434,0.515,0,1,4,5,5292,[3000:9400],1,0.359,0.443,2,0.40909091,1,0,0,1,0,9,0,-1,308.503,0,626.663,528.733,97.931,0,0,1135.243,1,2,0,0.0031915,0.8398275,33.5,9.684,13.461,3.343,5.407,-5.497,-4.606,-2.316,295.681,-0.905,168.581,-2.46,0,0,1,0.789,3,89.869,0,0,47.984,2,1,0,9,0,9,9,22,0.00340011092835984,0.06,[0.01:0.12],1,0.339,0.681,16.29,[3:36.14],1,0.216,0.459,-4.93,[-5.29:-4.57],1,0.204,0.483,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.38,0.654,1.08,[0.56:1.6],0,0.208,0.43,1,1,0.461789725524796,0.576386365574924,0.32,[-0.23:0.87],1,0.306,0.494,4.05,[2.95:5],1,0.415,0.351,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,82.1765,0.613,1.609420652,0.919710667,3.72361983551546,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCC(C)C,"hydrindane,Custom_47,Custom_21",9945,"hydrindane,Custom_47,Custom_21",0,1,0.568,0.736,1,1,0.429,0.56,1,1,0.339,0.587,1,1,0.586,0.589,0,1,0.567,0.629,1,1,0.507,0.587,0,1,4,5,5292,[3000:9400],1,0.376,0.445,2,0.40909091,1,0,0,1,0,9,0,-2,308.503,0,639.926,532.604,107.322,0,0,1150.421,1,2,0,0.0031254,0.8297355,34.107,9.884,13.728,3.438,5.438,-5.742,-4.606,-2.48,240.859,-1.018,135.066,-2.633,0,0,1,0.83,3,88.457,0,0,50.54,2,1,1,9,0,9,9,22,0.00129922800343946,0.06,[0.01:0.13],1,0.329,0.676,16.32,[3:36.17],1,0.217,0.46,-4.93,[-5.29:-4.57],1,0.204,0.483,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.397,0.66,1.08,[0.56:1.6],0,0.207,0.43,1,1,0.4632479149235,0.577115460274276,0.09,[-0.33:0.51],1,0.312,0.535,4.05,[2.95:5],1,0.413,0.35,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,82.0103,0.613,1.609420652,0.919710667,3.72361983551546,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)[C@H](C)CC,"hydrindane,Custom_47,Custom_22",9946,"hydrindane,Custom_47,Custom_22",0,1,0.571,0.746,1,1,0.348,0.52,1,1,0.334,0.582,1,1,0.828,0.69,1,1,0.532,0.613,1,1,0.42,0.6,0,1,3,5,4449,[2500:7900],1,0.411,0.443,2,0.40909091,1,0,0,1,0,8,0,-1,308.503,0,618.352,510.196,108.156,0,0,1137.914,1,2,0,0.0032344,0.8524503,34.249,9.798,14.1,3.613,5.356,-5.507,-4.606,-2.112,236.514,-0.911,132.434,-2.745,0,0,1,0.841,3,87.833,0,0,50.947,2,1,0,9,0,9,9,22,0.00172761002861836,0.06,[0.01:0.12],1,0.352,0.686,15.99,[3:34.83],1,0.213,0.468,-4.93,[-5.29:-4.57],1,0.207,0.484,-10.82,[-10.96:-10.64],0,0.245,0.633,1.82,[1.57:2.07],1,0.37,0.65,1.06,[0.52:1.6],0,0.207,0.419,1,1,0.450647318816189,0.570815162220621,0.42,[0.03:0.85],1,0.285,0.525,3.61,[2.41:4.81],1,0.42,0.337,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,81.8082,0.574,1.609420652,0.919710667,3.64826240574804,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@H](C)C(C)C,"hydrindane,Custom_47,Custom_23",9947,"hydrindane,Custom_47,Custom_23",0,1,0.297,0.638,1,1,0.428,0.56,1,1,0.339,0.587,1,1,0.569,0.573,1,1,0.522,0.624,1,1,0.432,0.515,0,1,4,5,6663,[3700:12000],1,0.418,0.457,2,0.40909091,1,0,0,1,0,8,0,-1,308.503,0,623.89,516.569,107.321,0,0,1128.955,1,2,0,0.0032057,0.8404427,33.89,9.692,13.801,3.62,5.302,-5.609,-4.606,-2.306,240.864,-0.932,135.069,-2.729,0,0,1,0.814,3,87.658,0,0,50.54,2,1,0,9,0,9,9,22,0.00141498536965319,0.06,[0.01:0.13],1,0.335,0.677,16.21,[3:36.07],1,0.214,0.458,-4.93,[-5.29:-4.57],1,0.206,0.484,-10.82,[-10.96:-10.64],0,0.245,0.633,1.82,[1.57:2.07],1,0.404,0.663,1.05,[0.51:1.59],0,0.209,0.42,1,1,0.461291153152296,0.576137079388674,0.33,[-0.22:0.88],1,0.301,0.493,3.6,[2.4:4.8],1,0.418,0.335,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,83.5958,0.574,1.609420652,0.919710667,3.82366981326814,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)(C)CCC,"hydrindane,Custom_47,Custom_24",9948,"hydrindane,Custom_47,Custom_24",1,1,0.289,0.537,1,1,0.438,0.528,1,1,0.254,0.521,1,1,0.442,0.682,0,1,0.565,0.651,1,1,0.422,0.597,0,1,3,5,2080,[1200:3700],1,0.355,0.67,2,0.40909091,1,0,0,1,0,8,0,-1,308.503,0,608.146,499.99,108.156,0,0,1102.277,1,2,0,0.0032887,0.8485636,32.822,9.461,13.492,3.588,5.125,-5.319,-4.606,-2.175,236.514,-0.92,132.434,-2.745,0,0,1,0.74,3,86.485,0,0,50.947,2,1,0,9,0,9,9,22,0.00266328705208324,0.06,[0.01:0.13],1,0.338,0.676,15.95,[3:34.84],1,0.209,0.466,-4.94,[-5.3:-4.58],1,0.205,0.483,-10.82,[-10.96:-10.64],0,0.237,0.63,1.82,[1.57:2.07],1,0.396,0.66,1.06,[0.52:1.6],0,0.204,0.418,1,1,0.44569570060502,0.529134906941114,0.45,[0.04:0.86],1,0.286,0.521,3.61,[2.41:4.81],1,0.413,0.335,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,83.2277,0.573,1.609420652,0.919710667,3.31806333496276,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC(C)(C)CC,"hydrindane,Custom_47,Custom_25",9949,"hydrindane,Custom_47,Custom_25",1,1,0.246,0.559,1,1,0.438,0.528,1,1,0.254,0.521,1,1,0.867,0.743,0,1,0.562,0.64,1,1,0.466,0.565,0,1,3,5,2080,[1200:3700],1,0.412,0.677,2,0.40909091,1,0,0,1,0,8,0,-1,308.503,0,607.354,499.198,108.156,0,0,1105.45,1,2,0,0.003293,0.8513,32.949,9.496,13.574,3.586,5.146,-5.305,-4.606,-2.131,236.514,-0.914,132.434,-2.745,0,0,1,0.749,3,86.608,0,0,50.947,2,1,0,9,0,9,9,22,0.00275424522296767,0.13,[0.01:0.26],1,0.322,0.571,15.97,[3:34.82],1,0.21,0.466,-4.93,[-5.29:-4.57],1,0.205,0.483,-10.82,[-10.96:-10.64],0,0.237,0.63,1.95,[1.76:2.14],1,0.425,0.692,1.05,[0.51:1.59],0,0.21,0.42,1,1,0.45486919605956,0.572926100842306,0.32,[-0.23:0.87],1,0.302,0.493,3.61,[2.41:4.81],1,0.412,0.334,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,84.6571,0.573,1.609420652,0.919710667,3.31806333496276,1.931218512,0.932527188
O=C(O)CCCC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCC(C)(C)C,"hydrindane,Custom_47,Custom_26",9950,"hydrindane,Custom_47,Custom_26",0,1,0.244,0.592,1,1,0.438,0.528,1,1,0.258,0.523,1,1,0.576,0.559,0,1,0.849,0.784,1,1,0.419,0.515,0,1,3,5,2080,[1200:3700],1,0.427,0.679,2,0.40909091,1,0,0,1,0,8,0,-1,308.503,0,629.239,521.172,108.067,0,0,1139.018,1,2,0,0.0031784,0.8382426,34.293,9.789,13.945,3.638,5.361,-5.708,-4.606,-2.342,236.975,-0.944,132.714,-2.743,0,0,1,0.842,3,87.879,0,0,50.879,2,1,1,9,0,9,9,22,0.00109237913215944,0.12,[0.01:0.25],1,0.308,0.557,16.18,[3:36.05],1,0.211,0.457,-4.93,[-5.29:-4.57],1,0.204,0.483,-10.82,[-10.96:-10.64],0,0.237,0.63,1.95,[1.76:2.14],1,0.433,0.695,1.08,[0.56:1.6],0,0.209,0.431,1,1,0.463477056381951,0.577230031003502,0.16,[-0.24:0.56],1,0.317,0.533,3.6,[2.4:4.8],1,0.406,0.331,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,84.3713,0.573,1.609420652,0.919710667,3.31806333496276,1.931218512,0.932527188
O=C(O)CC[C@H](C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C,"hydrindane,Custom_48,Custom_1",9951,"hydrindane,Custom_48,Custom_1",0,1,0.362,0.575,1,1,0.418,0.56,1,1,0.403,0.643,0,1,0.48,0.669,0,1,0.414,0.655,1,1,0.381,0.565,0,1,3,5,2905,[1600:5200],1,0.542,0.61,2,0.52941176,0,0,0,1,0,4,0,-1,238.369,0,481.715,373.651,108.064,0,0,862.408,1,2,0,0.0041518,0.9095992,25.791,7.473,11.453,4.166,3.6,-3.661,-3.164,-1.187,236.988,-0.548,132.721,-3.127,0,0,1,0.251,3,90.524,0,0,50.878,2,0,0,9,0,9,9,17,0.0388552130731818,0.02,[0.01:0.04],1,0.35,0.737,19.72,[10.12:39.35],1,0.252,0.51,-4.68,[-4.92:-4.44],1,0.264,0.576,-10.78,[-10.95:-10.61],1,0.335,0.674,1.81,[1.54:2.08],1,0.445,0.664,0.71,[0.3:1.13],0,0.233,0.516,1,1,0.481566948876324,0.586274977250688,0.11,[-0.2:0.42],1,0.324,0.563,3.27,[2.55:3.98],1,0.49,0.519,238.193280072,43,17,15,2,0,0,2,0,0.933333333333333,4,2,1,1,37.3,64.3719,0.613,1.568343624,0.914081282,3.46314613672635,1.928734681,0.924826502
O=C(O)CC[C@H](C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC,"hydrindane,Custom_48,Custom_3",9952,"hydrindane,Custom_48,Custom_3",0,1,0.334,0.57,1,1,0.412,0.555,1,1,0.36,0.609,0,1,0.448,0.631,0,1,0.429,0.65,1,1,0.397,0.582,0,1,3,5,3214,[1800:5700],1,0.478,0.619,2,0.5,1,0,0,1,0,5,0,-1,252.396,0,506.2,398.739,107.461,0,0,913.84,1,2,0,0.003951,0.8996832,27.207,7.892,11.883,4,3.93,-3.942,-3.45,-1.348,240.132,-0.623,134.626,-3.02,0,0,1,0.349,3,92.564,0,0,50.947,2,0,0,9,0,9,9,18,0.0275613075008457,0.02,[0.01:0.03],1,0.357,0.747,19.57,[10.12:38.9],1,0.247,0.509,-4.79,[-5.12:-4.46],1,0.251,0.519,-10.82,[-10.97:-10.65],1,0.312,0.671,1.81,[1.54:2.08],1,0.435,0.662,0.71,[0.3:1.13],0,0.223,0.512,1,1,0.4815731296411,0.586278067633076,0.29,[-0.21:0.79],1,0.341,0.519,3.57,[3.02:4.12],1,0.451,0.534,252.208930136,46,18,16,2,0,0,2,0,0.9375,5,2,1,1,37.3,67.4497,0.613,1.65465485,0.920814116,3.50704587242733,1.974165103,0.935447087
O=C(O)CC[C@H](C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCC,"hydrindane,Custom_48,Custom_4",9953,"hydrindane,Custom_48,Custom_4",0,1,0.326,0.613,1,1,0.445,0.571,1,1,0.323,0.549,1,1,0.492,0.61,0,1,0.438,0.62,1,1,0.411,0.595,0,1,3,5,3891,[2200:6900],1,0.516,0.725,2,0.47368421,1,0,0,1,0,6,0,-1,266.423,0,537.767,430.306,107.461,0,0,972.226,1,2,0,0.0037191,0.8825702,28.902,8.351,12.359,3.855,4.301,-4.354,-3.738,-1.625,240.132,-0.718,134.626,-2.924,0,0,1,0.466,3,94.734,0,0,50.947,2,0,0,9,0,9,9,19,0.0140471370263171,0.03,[0.02:0.04],1,0.354,0.746,19.55,[10.12:38.66],1,0.24,0.509,-4.81,[-5.14:-4.48],1,0.241,0.512,-10.82,[-10.97:-10.65],1,0.293,0.663,1.82,[1.56:2.08],1,0.47,0.676,0.86,[0.38:1.34],0,0.22,0.483,1,1,0.470648852467571,0.580815929046312,0.42,[0.04:0.84],1,0.346,0.536,2.99,[2.13:3.85],1,0.431,0.447,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,6,2,1,1,37.3,71.9015,0.613,1.624709484,0.918686155,3.59006123080374,1.949404529,0.934024125
O=C(O)CC[C@H](C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)C,"hydrindane,Custom_48,Custom_5",9954,"hydrindane,Custom_48,Custom_5",0,1,0.318,0.609,1,1,0.404,0.551,1,1,0.325,0.547,1,1,0.449,0.597,1,1,0.432,0.589,1,1,0.409,0.639,0,1,3,5,3435,[1900:6100],1,0.477,0.618,2,0.47368421,0,0,0,1,0,5,0,-1,266.423,0,523.558,416.25,107.309,0,0,954.037,1,2,0,0.00382,0.8951795,28.816,8.242,12.472,4.041,4.188,-4.258,-3.738,-1.421,240.93,-0.631,135.109,-3.017,0,0,1,0.46,3,94.097,0,0,50.947,2,0,0,9,0,9,9,19,0.0141496042351463,0.03,[0.02:0.04],1,0.352,0.745,19.58,[10.12:38.68],1,0.237,0.508,-4.8,[-5.13:-4.47],1,0.241,0.513,-10.82,[-10.97:-10.65],1,0.286,0.66,1.82,[1.56:2.08],1,0.527,0.697,0.86,[0.38:1.34],0,0.216,0.481,1,1,0.47789950330229,0.584441254463671,0.42,[0.04:0.84],1,0.343,0.535,3.24,[2.53:3.95],1,0.44,0.518,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,5,2,1,1,37.3,72.9072,0.574,1.624709484,0.918686155,3.53592674139557,1.949404529,0.934024125
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O=C(O)[C@H](C)CC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)CCCC,"hydrindane,Custom_50,Custom_18",10017,"hydrindane,Custom_50,Custom_18",0,1,0.548,0.765,1,1,0.388,0.54,1,1,0.379,0.637,1,1,0.841,0.696,1,1,0.436,0.608,1,1,0.416,0.643,0,1,3,5,4423,[2500:7900],1,0.464,0.463,2,0.40909091,1,0,0,1,0,8,0,-1,308.503,0,618.979,533.483,85.496,0,0,1125.182,1,2,0,0.0032311,0.845223,33.739,9.509,13.443,3.46,5.429,-5.519,-4.606,-2.229,387.921,-0.716,226.083,-2.327,0,0,1,0.804,3,92.11,0,0,45.659,2,1,0,9,0,9,9,22,0.00440073216179609,0.06,[0.01:0.13],1,0.337,0.676,16.16,[3:36.07],1,0.213,0.458,-4.94,[-5.3:-4.58],1,0.216,0.485,-10.82,[-10.96:-10.64],0,0.247,0.634,1.82,[1.57:2.07],1,0.422,0.669,1.33,[0.79:1.87],0,0.215,0.413,1,1,0.465798012701591,0.578390509163322,0.32,[-0.22:0.86],1,0.309,0.496,3.59,[2.39:4.79],1,0.417,0.336,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,84.0698,0.574,1.609420652,0.919710667,3.6457169393696,1.931218512,0.932527188
O=C(O)[C@H](C)CC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@H](C)CCC,"hydrindane,Custom_50,Custom_19",10018,"hydrindane,Custom_50,Custom_19",0,1,0.304,0.641,1,1,0.428,0.56,1,1,0.335,0.584,1,1,0.884,0.713,0,1,0.443,0.628,1,1,0.412,0.59,0,1,3,5,4423,[2500:7900],1,0.414,0.455,2,0.40909091,1,0,0,1,0,8,0,-1,308.503,0,620.322,535.6,84.722,0,0,1126.541,1,2,0,0.0032241,0.8440714,33.793,9.515,13.439,3.458,5.443,-5.543,-4.606,-2.248,394.529,-0.711,230.248,-2.313,0,0,1,0.808,3,92.323,0,0,45.05,2,1,0,9,0,9,9,22,0.00429556132726622,0.06,[0.01:0.13],1,0.329,0.672,16.21,[3:36.12],1,0.214,0.458,-4.94,[-5.3:-4.58],1,0.218,0.485,-10.82,[-10.96:-10.64],0,0.247,0.634,1.95,[1.77:2.13],1,0.437,0.696,1.06,[0.52:1.6],0,0.219,0.423,1,1,0.470453597475559,0.580718301550306,0.32,[-0.22:0.86],1,0.316,0.498,3.59,[2.39:4.79],1,0.418,0.335,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,86.0236,0.574,1.609420652,0.919710667,3.6457169393696,1.931218512,0.932527188
O=C(O)[C@H](C)CC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC[C@H](C)CC,"hydrindane,Custom_50,Custom_20",10019,"hydrindane,Custom_50,Custom_20",0,1,0.254,0.617,1,1,0.388,0.54,1,1,0.34,0.589,1,1,0.575,0.558,1,1,0.433,0.599,1,1,0.414,0.499,0,1,3,5,4423,[2500:7900],1,0.459,0.461,2,0.40909091,1,0,0,1,0,8,0,-1,308.503,0,620.903,535.862,85.041,0,0,1128.283,1,2,0,0.0032211,0.8441511,33.863,9.533,13.472,3.462,5.452,-5.554,-4.606,-2.246,391.796,-0.714,228.525,-2.319,0,0,1,0.812,3,92.321,0,0,45.659,2,1,0,9,0,9,9,22,0.00413475723166883,0.06,[0.01:0.13],1,0.321,0.669,16.21,[3:36.12],1,0.214,0.458,-4.94,[-5.3:-4.58],1,0.215,0.485,-10.82,[-10.96:-10.64],0,0.247,0.634,1.95,[1.77:2.13],1,0.444,0.699,1.06,[0.52:1.6],0,0.218,0.423,1,1,0.475840754821066,0.583411880223059,0.32,[-0.22:0.86],1,0.316,0.498,3.6,[2.4:4.8],1,0.419,0.335,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,85.61,0.574,1.609420652,0.919710667,3.6457169393696,1.931218512,0.932527188
O=C(O)[C@H](C)CC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCC(C)C,"hydrindane,Custom_50,Custom_21",10020,"hydrindane,Custom_50,Custom_21",0,1,0.307,0.642,1,1,0.428,0.56,1,1,0.339,0.587,1,1,0.585,0.563,1,1,0.439,0.602,1,1,0.414,0.605,0,1,4,5,6643,[3700:12000],1,0.412,0.462,2,0.40909091,1,0,0,1,0,8,0,-1,308.503,0,625.351,541.42,83.93,0,0,1134.49,1,2,0,0.0031982,0.8412182,34.112,9.58,13.516,3.465,5.499,-5.636,-4.606,-2.294,401.41,-0.709,234.592,-2.298,0,0,1,0.83,3,92.786,0,0,45.47,2,1,0,9,0,9,9,22,0.00358851306730325,0.12,[0.01:0.25],1,0.312,0.568,16.23,[3:36.14],1,0.215,0.458,-4.94,[-5.3:-4.58],1,0.216,0.485,-10.82,[-10.96:-10.64],0,0.247,0.634,1.95,[1.76:2.14],1,0.456,0.703,1.33,[0.79:1.87],0,0.217,0.413,1,1,0.47773318594666,0.584358095785856,0.31,[-0.24:0.86],1,0.323,0.5,3.6,[2.4:4.8],1,0.417,0.335,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,85.4438,0.574,1.609420652,0.919710667,3.82236425244155,1.931218512,0.932527188
O=C(O)[C@H](C)CC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)[C@H](C)CC,"hydrindane,Custom_50,Custom_22",10021,"hydrindane,Custom_50,Custom_22",0,1,0.56,0.739,1,1,0.348,0.52,1,1,0.335,0.583,1,1,0.827,0.689,1,1,0.437,0.608,1,1,0.405,0.577,0,1,3,5,3490,[2000:6200],1,0.376,0.699,2,0.40909091,1,0,0,1,0,7,0,-1,308.503,0,606.376,523.653,82.723,0,0,1125.987,1,2,0,0.0032983,0.863201,34.413,9.53,13.9,3.632,5.457,-5.449,-4.606,-1.938,412.129,-0.599,241.371,-2.372,0,0,1,0.852,3,92.741,0,0,45.659,2,1,0,9,0,9,9,22,0.00465492815685269,0.06,[0.01:0.13],1,0.337,0.674,16.08,[3:36.01],1,0.211,0.456,-4.94,[-5.3:-4.58],1,0.216,0.485,-10.82,[-10.96:-10.64],0,0.242,0.632,1.82,[1.57:2.07],1,0.438,0.675,1.06,[0.52:1.6],0,0.217,0.423,1,1,0.461224783479763,0.536899448378485,0.41,[0.03:0.84],1,0.291,0.526,3.51,[2.31:4.71],1,0.411,0.334,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,85.2417,0.535,1.609420652,0.919710667,3.54282542695918,1.931218512,0.932527188
O=C(O)[C@H](C)CC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@H](C)C(C)C,"hydrindane,Custom_50,Custom_23",10022,"hydrindane,Custom_50,Custom_23",0,1,0.551,0.766,1,1,0.388,0.54,1,1,0.34,0.588,1,1,0.569,0.578,0,1,0.435,0.614,1,1,0.416,0.544,0,1,3,5,3490,[2000:6200],1,0.493,0.726,2,0.40909091,1,0,0,1,0,7,0,-1,308.503,0,610.998,523.516,87.481,0,0,1114.556,1,2,0,0.0032733,0.8508637,33.956,9.434,13.654,3.675,5.348,-5.534,-4.606,-2.138,371.462,-0.664,215.733,-2.46,0,0,1,0.817,3,91.297,0,0,45.47,2,1,0,9,0,9,9,22,0.00312708284157902,0.12,[0.01:0.25],1,0.321,0.57,16.13,[3:36.06],1,0.212,0.457,-4.93,[-5.29:-4.57],1,0.218,0.486,-10.82,[-10.96:-10.64],0,0.242,0.632,1.95,[1.77:2.13],1,0.468,0.707,1.06,[0.52:1.6],0,0.22,0.424,1,1,0.473820661670388,0.58240183364772,0.32,[-0.22:0.86],1,0.308,0.496,3.51,[2.31:4.71],1,0.413,0.333,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,87.0293,0.535,1.609420652,0.919710667,3.54282542695918,1.931218512,0.932527188
O=C(O)[C@H](C)CC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)(C)CCC,"hydrindane,Custom_50,Custom_24",10023,"hydrindane,Custom_50,Custom_24",1,1,0.255,0.434,1,1,0.398,0.508,1,1,0.255,0.522,1,1,0.481,0.668,1,1,0.435,0.624,1,1,0.407,0.575,0,1,3,5,2497,[1400:4400],1,0.366,0.596,2,0.40909091,1,0,0,1,0,7,0,-1,308.503,0,590.834,507.846,82.988,0,0,1085.917,1,2,0,0.003385,0.864763,32.81,9.169,13.287,3.596,5.197,-5.163,-4.606,-1.913,409.754,-0.598,239.867,-2.377,0,0,1,0.739,3,91.177,0,0,45.659,2,1,0,9,0,9,9,22,0.00888946577998086,0.12,[0.01:0.25],1,0.331,0.572,16.01,[3:35.95],1,0.206,0.455,-4.94,[-5.3:-4.58],1,0.216,0.485,-10.82,[-10.96:-10.64],0,0.234,0.629,1.95,[1.76:2.14],1,0.457,0.703,1.33,[0.79:1.87],0,0.214,0.412,1,1,0.454577563007969,0.533575838142588,0.41,[0.03:0.84],1,0.292,0.527,3.51,[2.31:4.71],1,0.403,0.332,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,86.6612,0.534,1.609420652,0.919710667,3.39741854235135,1.931218512,0.932527188
O=C(O)[C@H](C)CC[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC(C)(C)CC,"hydrindane,Custom_50,Custom_25",10024,"hydrindane,Custom_50,Custom_25",1,1,0.207,0.495,1,1,0.398,0.508,1,1,0.255,0.522,1,1,0.829,0.729,0,1,0.442,0.627,1,1,0.459,0.641,0,1,3,5,2496,[1400:4400],1,0.373,0.596,2,0.40909091,1,0,0,1,0,7,0,-1,308.503,0,591.102,506.062,85.041,0,0,1087.63,1,2,0,0.0033835,0.8652796,32.878,9.2,13.353,3.611,5.194,-5.168,-4.606,-1.904,391.796,-0.616,228.525,-2.415,0,0,1,0.744,3,90.811,0,0,45.659,2,1,0,9,0,9,9,22,0.00805614303235365,0.12,[0.01:0.26],1,0.315,0.555,16.07,[3:36.01],1,0.207,0.455,-4.94,[-5.3:-4.58],1,0.218,0.485,-10.82,[-10.96:-10.64],0,0.234,0.629,1.95,[1.76:2.14],1,0.463,0.704,1.06,[0.52:1.6],0,0.221,0.424,1,1,0.461699240229472,0.537136676753339,0.41,[0.03:0.84],1,0.309,0.532,3.51,[2.31:4.71],1,0.407,0.332,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,88.0906,0.534,1.609420652,0.919710667,3.39724458101039,1.931218512,0.932527188
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O=C(O)CC(C)(C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCC(C)C,"hydrindane,Custom_51,Custom_13",10037,"hydrindane,Custom_51,Custom_13",0,1,0.552,0.743,1,1,0.444,0.536,1,1,0.271,0.53,0,1,0.487,0.734,1,1,0.424,0.613,1,1,0.393,0.629,0,1,4,5,5712,[3200:10000],1,0.479,0.654,2,0.42857143,1,0,0,1,0,6,0,-1,294.476,0,565.92,477.096,88.824,0,0,1038.248,1,2,0,0.0035341,0.8762152,31.544,8.807,13.031,3.796,4.852,-4.869,-4.316,-1.727,360.726,-0.569,209.001,-2.58,0,0,1,0.65,3,100,0,0,44.69,2,0,0,9,0,9,9,21,0.0104598079912932,0.12,[0.01:0.25],1,0.322,0.569,22.32,[10.5:40.05],1,0.212,0.514,-4.92,[-5.29:-4.55],1,0.217,0.485,-10.82,[-10.96:-10.64],0,0.243,0.632,1.84,[1.59:2.09],1,0.52,0.7,1.06,[0.52:1.6],0,0.221,0.424,0,1,0.426981338815962,0.519777726046584,0.71,[0.08:1.34],1,0.324,0.455,2.66,[2.12:3.2],1,0.413,0.521,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,6,2,1,1,37.3,83.2185,0.534,1.609420652,0.919710667,3.75678819876812,1.931218512,0.932527188
O=C(O)CC(C)(C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)C(C)C,"hydrindane,Custom_51,Custom_14",10038,"hydrindane,Custom_51,Custom_14",1,1,0.212,0.446,1,1,0.364,0.496,1,1,0.266,0.528,1,1,0.531,0.736,0,1,0.426,0.657,1,1,0.731,0.824,0,1,3,5,3647,[2100:6500],1,0.547,0.743,2,0.42857143,0,0,0,1,0,5,0,-1,294.476,0,601.31,512.487,88.823,0,0,1065.8,1,2,0,0.0033261,0.8391703,33.289,8.962,13.332,4.102,5.023,-5.682,-4.316,-2.327,360.736,-0.579,209.007,-2.676,0,0,1,0.763,3,89.167,0,0,44.69,2,1,0,9,0,9,9,21,0.00129086425615599,0.06,[0:0.14],1,0.339,0.663,22.32,[10.5:40.05],1,0.21,0.513,-4.92,[-5.29:-4.55],1,0.216,0.485,-10.82,[-10.96:-10.64],0,0.241,0.632,1.84,[1.6:2.08],1,0.532,0.706,1.06,[0.52:1.6],0,0.22,0.424,1,1,0.417934773297718,0.554458889461385,0.73,[0.09:1.37],1,0.286,0.44,2.66,[2.15:3.17],1,0.41,0.535,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,5,2,1,1,37.3,82.8502,0.495,1.609420652,0.919710667,3.56193576331378,1.931218512,0.932527188
O=C(O)CC(C)(C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC(C)(C)C,"hydrindane,Custom_51,Custom_15",10039,"hydrindane,Custom_51,Custom_15",1,0,0.161,0.459,1,1,0.465,0.518,1,1,0.318,0.481,0,1,0.827,0.909,1,1,0.457,0.634,1,1,0.459,0.719,0,1,3,5,3414,[1900:6100],1,0.487,0.72,2,0.42857143,1,0,0,1,0,5,0,-1,294.476,0,543.029,454.206,88.823,0,0,1010.289,1,2,0,0.003683,0.896683,31.067,8.636,13.076,3.962,4.677,-4.613,-4.316,-1.396,360.736,-0.474,209.007,-2.676,0,0,1,0.617,3,100,0,0,44.69,2,0,0,9,0,9,9,21,0.0151226418346035,0.12,[0.01:0.26],1,0.315,0.557,13.75,[3.15:26.54],1,0.204,0.487,-4.93,[-5.3:-4.56],1,0.213,0.482,-10.82,[-10.96:-10.64],0,0.237,0.63,1.83,[1.58:2.08],1,0.485,0.686,1.06,[0.52:1.6],0,0.223,0.425,1,1,0.42675356975782,0.519663841517514,0.71,[0.07:1.35],1,0.325,0.455,2.66,[2.14:3.18],1,0.4,0.527,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,5,2,1,1,37.3,83.9285,0.494,1.609420652,0.919710667,3.53326351677871,1.931218512,0.932527188
O=C(O)CC(C)(C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)(C)CC,"hydrindane,Custom_51,Custom_16",10040,"hydrindane,Custom_51,Custom_16",0,1,0.186,0.503,1,1,0.345,0.458,1,1,0.277,0.462,1,1,0.518,0.759,0,1,0.423,0.706,1,1,0.732,0.853,0,1,3,5,3414,[1900:6100],1,0.55,0.745,2,0.42857143,1,0,0,1,0,5,0,-1,294.476,0,552.027,463.209,88.818,0,0,1017.747,1,2,0,0.003623,0.8864025,31.366,8.658,13.091,3.983,4.723,-4.777,-4.316,-1.563,360.776,-0.491,209.033,-2.676,0,0,1,0.636,3,100,0,0,44.69,2,0,0,9,0,9,9,21,0.0103563598388906,0.11,[0:0.25],1,0.333,0.567,22.4,[10.5:40.1],1,0.205,0.512,-4.92,[-5.29:-4.55],1,0.213,0.484,-10.82,[-10.96:-10.64],0,0.237,0.63,1.84,[1.59:2.09],1,0.517,0.699,1.33,[0.79:1.87],0,0.219,0.414,0,1,0.417798528444199,0.554390767034626,0.74,[0.1:1.38],0,0.274,0.435,2.67,[2.17:3.17],1,0.402,0.534,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,5,2,1,1,37.3,84.0223,0.494,1.609420652,0.919710667,3.53326351677871,1.931218512,0.932527188
O=C(O)CC(C)(C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCCCC,"hydrindane,Custom_51,Custom_17",10041,"hydrindane,Custom_51,Custom_17",0,1,0.21,0.532,1,1,0.398,0.508,1,1,0.262,0.525,1,1,0.446,0.688,0,1,0.469,0.665,1,1,0.734,0.798,0,1,3,5,3151,[1800:5600],1,0.41,0.459,2,0.40909091,1,0,0,1,0,8,0,-1,308.503,0,607.77,518.944,88.826,0,0,1110.508,1,2,0,0.0032907,0.8533103,33.152,9.41,13.362,3.456,5.313,-5.312,-4.606,-2.098,360.713,-0.732,208.993,-2.388,0,0,1,0.764,3,90.865,0,0,44.691,2,1,0,9,0,9,9,22,0.00614603282005017,0.06,[0.01:0.13],1,0.34,0.677,13.73,[3.15:26.57],1,0.206,0.487,-4.94,[-5.3:-4.58],1,0.205,0.482,-10.82,[-10.96:-10.64],0,0.238,0.63,1.82,[1.57:2.07],1,0.393,0.659,1.33,[0.79:1.87],0,0.218,0.413,0,1,0.428014856013197,0.520294484645202,0.45,[0.04:0.86],1,0.297,0.524,3.6,[2.4:4.8],1,0.409,0.334,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,82.044,0.573,1.609420652,0.919710667,3.498448403174,1.931218512,0.932527188
O=C(O)CC(C)(C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)CCCC,"hydrindane,Custom_51,Custom_18",10042,"hydrindane,Custom_51,Custom_18",1,1,0.205,0.494,1,1,0.398,0.508,1,1,0.257,0.523,1,1,0.491,0.716,0,1,0.434,0.712,1,1,0.741,0.836,0,1,4,5,5464,[3100:9700],1,0.473,0.642,2,0.40909091,1,0,0,1,0,7,0,-1,308.503,0,582.185,493.362,88.823,0,0,1083.498,1,2,0,0.0034353,0.8763064,32.713,9.222,13.471,3.615,5.143,-5.005,-4.606,-1.726,360.736,-0.63,209.007,-2.484,0,0,1,0.734,3,89.871,0,0,44.69,2,1,0,9,0,9,9,22,0.0100048903410737,0.12,[0.01:0.25],1,0.34,0.568,13.73,[3.15:26.56],1,0.204,0.486,-4.94,[-5.3:-4.58],1,0.207,0.482,-10.82,[-10.96:-10.64],0,0.231,0.628,1.95,[1.77:2.13],1,0.429,0.694,1.33,[0.79:1.87],0,0.214,0.412,0,1,0.422927937265617,0.517751025271412,0.73,[0.09:1.37],1,0.279,0.439,3.49,[2.29:4.69],1,0.394,0.33,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,84.7561,0.534,1.609420652,0.919710667,3.73751069067348,1.931218512,0.932527188
O=C(O)CC(C)(C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@H](C)CCC,"hydrindane,Custom_51,Custom_19",10043,"hydrindane,Custom_51,Custom_19",0,1,0.549,0.743,1,1,0.438,0.528,1,1,0.259,0.524,1,1,0.447,0.688,0,1,0.425,0.656,1,1,0.731,0.853,0,1,3,5,2992,[1700:5300],1,0.478,0.642,2,0.40909091,1,0,0,1,0,7,0,-1,308.503,0,591.236,502.412,88.824,0,0,1087.324,1,2,0,0.0033827,0.8649213,32.866,9.223,13.406,3.637,5.166,-5.171,-4.606,-1.91,360.726,-0.65,209.001,-2.484,0,0,1,0.743,3,90.003,0,0,44.69,2,1,0,9,0,9,9,22,0.00682221191434402,0.12,[0.01:0.25],1,0.337,0.566,13.72,[3.15:26.55],1,0.204,0.486,-4.94,[-5.3:-4.58],1,0.207,0.482,-10.82,[-10.96:-10.64],0,0.231,0.628,1.95,[1.76:2.14],1,0.44,0.697,1.06,[0.52:1.6],0,0.216,0.422,0,1,0.42352832674327,0.518051220010238,0.72,[0.09:1.35],1,0.29,0.444,3.49,[2.29:4.69],1,0.398,0.33,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,86.7099,0.534,1.609420652,0.919710667,3.47596158919242,1.931218512,0.932527188
O=C(O)CC(C)(C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC[C@H](C)CC,"hydrindane,Custom_51,Custom_20",10044,"hydrindane,Custom_51,Custom_20",1,1,0.211,0.498,1,1,0.398,0.508,1,1,0.26,0.524,1,1,0.486,0.723,0,1,0.471,0.688,1,1,0.405,0.634,0,1,3,5,2992,[1700:5300],1,0.48,0.648,2,0.40909091,1,0,0,1,0,7,0,-1,308.503,0,589.98,501.156,88.823,0,0,1087.491,1,2,0,0.0033899,0.8668523,32.873,9.23,13.43,3.634,5.167,-5.148,-4.606,-1.879,360.736,-0.646,209.007,-2.484,0,0,1,0.744,3,90.012,0,0,44.69,2,1,0,9,0,9,9,22,0.00719521019754151,0.12,[0.01:0.25],1,0.332,0.564,13.73,[3.15:26.57],1,0.205,0.486,-4.94,[-5.3:-4.58],1,0.207,0.482,-10.82,[-10.96:-10.64],0,0.231,0.628,1.95,[1.76:2.14],1,0.444,0.699,1.33,[0.79:1.87],0,0.216,0.412,0,1,0.420451297839308,0.516512705558257,0.72,[0.09:1.35],1,0.29,0.444,3.5,[2.3:4.7],1,0.401,0.331,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,86.2963,0.534,1.609420652,0.919710667,3.47596158919242,1.931218512,0.932527188
O=C(O)CC(C)(C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCC(C)C,"hydrindane,Custom_51,Custom_21",10045,"hydrindane,Custom_51,Custom_21",0,1,0.25,0.576,1,1,0.438,0.528,1,1,0.26,0.524,1,1,0.444,0.707,0,1,0.464,0.705,1,1,0.731,0.853,0,1,3,5,2992,[1700:5300],1,0.428,0.637,2,0.40909091,1,0,0,1,0,7,0,-1,308.503,0,594.588,505.763,88.824,0,0,1095.802,1,2,0,0.0033637,0.8645113,33.205,9.3,13.536,3.645,5.22,-5.232,-4.606,-1.917,360.728,-0.651,209.003,-2.484,0,0,1,0.767,3,90.322,0,0,44.69,2,1,0,9,0,9,9,22,0.00592010723736325,0.12,[0.01:0.26],1,0.326,0.558,13.72,[3.15:26.56],1,0.204,0.486,-4.94,[-5.3:-4.57],1,0.207,0.482,-10.82,[-10.96:-10.64],0,0.231,0.628,1.95,[1.76:2.14],1,0.448,0.7,1.33,[0.79:1.87],0,0.215,0.412,0,1,0.422220291430511,0.517397202353859,0.72,[0.09:1.35],1,0.3,0.448,3.51,[2.31:4.71],1,0.402,0.331,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,86.1301,0.534,1.609420652,0.919710667,3.47596158919242,1.931218512,0.932527188
O=C(O)CC(C)(C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)[C@H](C)CC,"hydrindane,Custom_51,Custom_22",10046,"hydrindane,Custom_51,Custom_22",1,1,0.263,0.444,1,1,0.438,0.527,1,1,0.257,0.523,1,1,0.496,0.713,0,1,0.434,0.712,1,1,0.737,0.827,0,1,4,5,5265,[3000:9400],1,0.499,0.627,2,0.40909091,1,0,0,1,0,6,0,-1,308.503,0,570.3,481.477,88.823,0,0,1074.81,1,2,0,0.0035069,0.8897801,33.007,9.19,13.755,3.807,5.09,-4.949,-4.606,-1.508,360.736,-0.546,209.007,-2.58,0,0,1,0.755,3,89.558,0,0,44.69,2,1,0,9,0,9,9,22,0.00910895271465846,0.12,[0.01:0.26],1,0.345,0.567,13.73,[3.15:26.57],1,0.202,0.485,-4.94,[-5.3:-4.58],1,0.208,0.482,-10.82,[-10.96:-10.64],0,0.229,0.627,1.95,[1.77:2.13],1,0.443,0.699,1.06,[0.52:1.6],0,0.216,0.422,1,1,0.412433114997437,0.551708060311245,0.95,[0.06:1.84],0,0.258,0.359,3.42,[2.23:4.61],1,0.38,0.327,308.271530392001,58,22,20,2,0,0,2,0,0.95,6,2,1,1,37.3,85.928,0.495,1.609420652,0.919710667,3.72139837552151,1.931218512,0.932527188
O=C(O)CC(C)(C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@H](C)C(C)C,"hydrindane,Custom_51,Custom_23",10047,"hydrindane,Custom_51,Custom_23",1,1,0.207,0.495,1,1,0.398,0.507,1,1,0.262,0.525,1,1,0.533,0.742,0,1,0.471,0.685,1,1,0.408,0.636,0,1,4,5,5265,[3000:9400],1,0.497,0.625,2,0.40909091,1,0,0,1,0,6,0,-1,308.503,0,579.32,490.495,88.824,0,0,1074,1,2,0,0.0034523,0.8754871,32.975,9.133,13.59,3.829,5.082,-5.115,-4.606,-1.739,360.726,-0.571,209.001,-2.58,0,0,1,0.75,3,89.512,0,0,44.69,2,1,0,9,0,9,9,22,0.00622274530283374,0.12,[0.01:0.26],1,0.336,0.562,13.73,[3.15:26.58],1,0.202,0.485,-4.93,[-5.3:-4.56],1,0.208,0.482,-10.82,[-10.96:-10.64],0,0.229,0.627,1.95,[1.76:2.14],1,0.458,0.704,1.06,[0.52:1.6],0,0.218,0.423,1,1,0.41448776362228,0.552735384623667,0.73,[0.09:1.37],1,0.28,0.439,3.42,[2.22:4.62],1,0.388,0.329,308.271530392001,58,22,20,2,0,0,2,0,0.95,6,2,1,1,37.3,87.7156,0.495,1.609420652,0.919710667,3.72139837552151,1.931218512,0.932527188
O=C(O)CC(C)(C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)(C)CCC,"hydrindane,Custom_51,Custom_24",10048,"hydrindane,Custom_51,Custom_24",1,0,0.185,0.474,1,1,0.384,0.478,1,1,0.27,0.457,1,1,0.492,0.731,0,1,0.469,0.684,1,1,0.733,0.859,0,1,4,5,5179,[2900:9200],1,0.58,0.673,2,0.40909091,1,0,0,1,0,6,0,-1,308.503,0,571.081,482.263,88.818,0,0,1065.121,1,2,0,0.0035021,0.8832161,32.62,9.078,13.531,3.809,5.026,-4.964,-4.606,-1.614,360.776,-0.557,209.033,-2.58,0,0,1,0.726,3,89.187,0,0,44.69,2,1,0,9,0,9,9,22,0.00881552376674382,0.12,[0.01:0.26],1,0.346,0.565,13.71,[3.15:26.56],0,0.198,0.484,-4.94,[-5.3:-4.57],1,0.205,0.481,-10.82,[-10.96:-10.64],0,0.225,0.626,1.95,[1.76:2.14],1,0.448,0.7,1.33,[0.79:1.87],0,0.215,0.413,0,1,0.403219850201252,0.50789698173923,0.95,[0.06:1.84],0,0.258,0.359,3.43,[2.23:4.63],1,0.371,0.324,308.271530392001,58,22,20,2,0,0,2,0,0.95,6,2,1,1,37.3,87.3475,0.494,1.609420652,0.919710667,3.71424591101789,1.931218512,0.932527188
O=C(O)CC(C)(C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC(C)(C)CC,"hydrindane,Custom_51,Custom_25",10049,"hydrindane,Custom_51,Custom_25",1,0,0.151,0.451,1,1,0.464,0.518,1,1,0.31,0.476,1,1,0.534,0.737,0,1,0.43,0.655,1,1,0.738,0.859,0,1,4,5,5178,[2900:9200],1,0.57,0.688,2,0.40909091,1,0,0,1,0,6,0,-1,308.503,0,559.499,470.675,88.823,0,0,1047.327,1,2,0,0.0035746,0.891431,31.907,8.949,13.333,3.781,4.913,-4.751,-4.606,-1.481,360.736,-0.543,209.007,-2.58,0,0,1,0.678,3,100,0,0,44.69,2,0,0,9,0,9,9,22,0.0143677488785942,0.12,[0.01:0.26],1,0.332,0.558,13.71,[3.15:26.57],0,0.199,0.483,-4.94,[-5.3:-4.57],1,0.206,0.481,-10.82,[-10.96:-10.64],0,0.225,0.626,1.95,[1.76:2.14],1,0.437,0.695,1.06,[0.52:1.6],0,0.22,0.424,1,1,0.41502306551961,0.553003035572331,0.73,[0.09:1.37],1,0.281,0.439,3.43,[2.23:4.63],1,0.38,0.327,308.271530392001,58,22,20,2,0,0,2,0,0.95,6,2,1,1,37.3,88.7769,0.494,1.609420652,0.919710667,3.71416204609885,1.931218512,0.932527188
O=C(O)CC(C)(C)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCC(C)(C)C,"hydrindane,Custom_51,Custom_26",10050,"hydrindane,Custom_51,Custom_26",1,0,0.16,0.455,1,1,0.464,0.518,1,1,0.31,0.477,0,1,0.53,0.75,1,1,0.464,0.651,1,1,0.393,0.573,0,1,4,5,5177,[2900:9200],1,0.565,0.688,2,0.40909091,1,0,0,1,0,6,0,-1,308.503,0,584.058,495.232,88.826,0,0,1082.47,1,2,0,0.0034243,0.8729432,33.314,9.202,13.697,3.84,5.136,-5.202,-4.606,-1.78,360.713,-0.575,208.993,-2.581,0,0,1,0.773,3,89.828,0,0,44.691,2,1,0,9,0,9,9,22,0.0050927432660306,0.12,[0.01:0.26],1,0.317,0.549,13.7,[3.15:26.56],0,0.198,0.483,-4.93,[-5.3:-4.56],1,0.205,0.481,-10.82,[-10.96:-10.64],0,0.225,0.626,1.95,[1.76:2.14],1,0.426,0.691,1.33,[0.79:1.87],0,0.22,0.414,1,1,0.42343119174784,0.518002652512523,0.72,[0.09:1.35],1,0.304,0.449,3.43,[2.23:4.63],1,0.384,0.327,308.271530392001,58,22,20,2,0,0,2,0,0.95,6,2,1,1,37.3,88.4911,0.494,1.609420652,0.919710667,3.71407816498186,1.931218512,0.932527188
O=C(O)C(C)(C)C[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C,"hydrindane,Custom_52,Custom_1",10051,"hydrindane,Custom_52,Custom_1",1,1,0.273,0.547,1,1,0.476,0.544,1,1,0.303,0.584,0,1,0.823,0.858,0,1,0.409,0.657,0,1,0.366,0.584,0,1,4,5,5352,[3000:9500],1,0.524,0.58,2,0.52941176,1,0,0,1,0,3,0,-1,238.369,0,460.845,385.381,75.464,0,0,835.216,1,2,0,0.0043399,0.930699,25.345,7.137,10.95,4.114,3.656,-3.447,-3.164,-0.846,482.921,-0.198,286.48,-2.622,0,0,0,0.223,3,96.389,0,0,42.326,2,0,0,9,0,9,9,17,0.203306245434132,0.03,[0.01:0.05],1,0.356,0.736,15.8,[10.09:35.09],1,0.245,0.52,-4.69,[-4.94:-4.44],1,0.269,0.579,-10.74,[-10.92:-10.54],1,0.31,0.661,1.81,[1.54:2.08],1,0.475,0.672,0.81,[0.3:1.34],0,0.266,0.471,1,1,0.502202872494121,0.557388492885664,0.17,[-0.23:0.62],1,0.36,0.539,3.43,[2.9:3.96],1,0.491,0.569,238.193280072,43,17,15,2,0,0,2,0,0.933333333333333,3,2,1,1,37.3,65.2149,0.573,1.568343624,0.914081282,3.72851610475977,1.928734681,0.924826502
O=C(O)C(C)(C)C[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC,"hydrindane,Custom_52,Custom_3",10052,"hydrindane,Custom_52,Custom_3",1,1,0.27,0.497,1,1,0.428,0.521,1,1,0.284,0.584,0,1,0.488,0.688,0,1,0.413,0.655,1,1,0.375,0.517,0,1,4,5,5699,[3200:10000],1,0.465,0.587,2,0.5,2,0,0,1,0,4,0,-1,252.396,0,486.289,410.825,75.464,0,0,886.892,1,2,0,0.0041128,0.9180187,26.771,7.529,11.379,3.955,3.983,-3.743,-3.45,-1.051,482.921,-0.275,286.48,-2.526,0,0,0,0.32,3,100,0,0,42.326,2,0,0,9,0,9,9,18,0.135625498300685,0.02,[0.01:0.03],1,0.359,0.745,19.77,[10.12:39.34],1,0.238,0.506,-4.71,[-4.95:-4.47],1,0.254,0.576,-10.81,[-10.96:-10.63],1,0.297,0.651,1.81,[1.54:2.08],1,0.511,0.686,1.08,[0.44:1.72],0,0.252,0.4,1,1,0.488549169162918,0.589766087393985,0.39,[-0.04:0.84],1,0.372,0.533,3.57,[3.02:4.12],1,0.464,0.571,252.208930136,46,18,16,2,0,0,2,0,0.9375,4,2,1,1,37.3,68.2927,0.573,1.65465485,0.920814116,3.75579865697383,1.974165103,0.935447087
O=C(O)C(C)(C)C[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCC,"hydrindane,Custom_52,Custom_4",10053,"hydrindane,Custom_52,Custom_4",1,1,0.258,0.56,1,1,0.459,0.537,1,1,0.238,0.516,1,1,0.491,0.685,0,1,0.421,0.649,1,1,0.389,0.525,0,1,3,5,3670,[2100:6500],1,0.506,0.601,2,0.47368421,2,0,0,1,0,5,0,-1,266.423,0,517.757,443.064,74.693,0,0,943.933,1,2,0,0.0038628,0.8988067,28.412,7.937,11.815,3.805,4.35,-4.152,-3.738,-1.362,491.115,-0.354,291.738,-2.416,0,0,0,0.433,3,100,0,0,42.186,2,0,0,9,0,9,9,19,0.0720276206389506,0.02,[0.01:0.03],1,0.353,0.743,19.7,[10.12:39.02],1,0.233,0.505,-4.81,[-5.15:-4.47],1,0.244,0.51,-10.81,[-10.96:-10.63],1,0.285,0.646,1.82,[1.56:2.08],1,0.586,0.716,1.08,[0.44:1.72],0,0.248,0.399,1,1,0.477664784163434,0.584323894894244,0.43,[0.04:0.85],1,0.384,0.549,3.24,[2.53:3.95],1,0.441,0.518,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,5,2,1,1,37.3,72.7445,0.573,1.624709484,0.918686155,3.56466606425209,1.949404529,0.934024125
O=C(O)C(C)(C)C[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)C,"hydrindane,Custom_52,Custom_5",10054,"hydrindane,Custom_52,Custom_5",1,1,0.221,0.499,1,1,0.419,0.517,1,1,0.239,0.517,1,1,0.449,0.627,0,1,0.414,0.659,1,1,0.387,0.569,0,1,3,5,3108,[1700:5500],1,0.432,0.572,2,0.47368421,2,0,0,1,0,4,0,-1,266.423,0,503.932,428.468,75.464,0,0,927.35,1,2,0,0.0039688,0.9126171,28.39,7.869,11.971,3.997,4.241,-4.063,-3.738,-1.138,482.921,-0.282,286.48,-2.526,0,0,0,0.431,3,100,0,0,42.326,2,0,0,9,0,9,9,19,0.068529103640175,0.03,[0.01:0.05],1,0.352,0.735,19.75,[10.12:39.06],1,0.228,0.504,-4.71,[-4.95:-4.47],1,0.246,0.573,-10.75,[-10.96:-10.54],1,0.281,0.636,1.83,[1.57:2.09],1,0.636,0.734,1.08,[0.44:1.72],0,0.242,0.397,1,1,0.472201275449943,0.542387694363575,0.44,[0.04:0.86],1,0.382,0.549,3.26,[2.55:3.97],1,0.443,0.52,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,4,2,1,1,37.3,73.7502,0.534,1.624709484,0.918686155,3.49248101012888,1.949404529,0.934024125
O=C(O)C(C)(C)C[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCC,"hydrindane,Custom_52,Custom_6",10055,"hydrindane,Custom_52,Custom_6",1,1,0.215,0.541,1,1,0.411,0.513,1,1,0.274,0.533,1,1,0.492,0.646,0,1,0.421,0.654,1,1,0.391,0.484,0,1,3,5,3795,[2100:6700],1,0.51,0.702,2,0.45,2,0,0,1,0,6,0,-1,280.45,0,549.353,474.66,74.693,0,0,1002.332,1,2,0,0.0036406,0.8817011,30.107,8.396,12.29,3.66,4.721,-4.566,-4.026,-1.639,491.115,-0.439,291.738,-2.32,0,0,0,0.55,3,100,0,0,42.186,2,0,0,9,0,9,9,20,0.0364802784797867,0.03,[0.02:0.04],1,0.347,0.743,23.19,[10.5:41.01],1,0.226,0.517,-4.85,[-5.19:-4.51],1,0.232,0.506,-10.75,[-10.96:-10.54],0,0.274,0.634,1.82,[1.56:2.08],1,0.555,0.707,1.33,[0.79:1.87],0,0.242,0.422,1,1,0.469435498254844,0.580209251939948,0.43,[0.04:0.84],1,0.383,0.551,2.96,[2:3.94],1,0.431,0.405,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,75.6561,0.573,1.609420652,0.919710667,3.5792117802315,1.931218512,0.932527188
O=C(O)C(C)(C)C[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)CC,"hydrindane,Custom_52,Custom_7",10056,"hydrindane,Custom_52,Custom_7",1,1,0.259,0.485,1,1,0.411,0.513,1,1,0.271,0.532,1,1,0.452,0.631,0,1,0.419,0.658,1,1,0.393,0.618,0,1,3,5,3397,[1900:6000],1,0.434,0.588,2,0.45,2,0,0,1,0,5,0,-1,280.45,0,526.972,451.508,75.464,0,0,977.014,1,2,0,0.0037953,0.9036036,29.736,8.273,12.396,3.832,4.557,-4.32,-4.026,-1.284,482.921,-0.354,286.48,-2.43,0,0,0,0.526,3,100,0,0,42.326,2,0,0,9,0,9,9,20,0.0498553369375312,0.03,[0.02:0.04],1,0.354,0.745,23.26,[10.5:41.04],1,0.221,0.516,-4.82,[-5.16:-4.48],1,0.233,0.506,-10.76,[-10.96:-10.55],0,0.269,0.632,1.83,[1.58:2.08],1,0.587,0.72,1.33,[0.79:1.87],0,0.238,0.421,1,1,0.460469689361225,0.536521901319216,0.44,[0.04:0.85],1,0.364,0.544,2.73,[2.11:3.35],1,0.433,0.516,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,76.828,0.534,1.609420652,0.919710667,3.53109554687003,1.931218512,0.932527188
O=C(O)C(C)(C)C[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC(C)C,"hydrindane,Custom_52,Custom_8",10057,"hydrindane,Custom_52,Custom_8",0,1,0.209,0.552,1,1,0.411,0.513,1,1,0.27,0.531,1,1,0.496,0.631,0,1,0.426,0.657,1,1,0.401,0.574,0,1,3,5,3398,[1900:6000],1,0.442,0.598,2,0.45,2,0,0,1,0,5,0,-1,280.45,0,537.526,462.062,75.464,0,0,988.808,1,2,0,0.0037207,0.892977,30.208,8.328,12.481,3.858,4.631,-4.512,-4.026,-1.456,482.921,-0.369,286.48,-2.43,0,0,0,0.557,3,100,0,0,42.326,2,0,0,9,0,9,9,20,0.0320007239448419,0.02,[0.01:0.03],1,0.332,0.735,23.24,[10.5:41.05],1,0.223,0.516,-4.85,[-5.19:-4.51],1,0.24,0.507,-10.76,[-10.96:-10.55],0,0.269,0.632,1.84,[1.61:2.07],1,0.68,0.76,1.08,[0.44:1.72],0,0.243,0.397,1,1,0.46451391258543,0.538544012931318,0.43,[0.04:0.84],1,0.382,0.55,2.73,[2.1:3.36],1,0.426,0.509,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,78.6156,0.534,1.609420652,0.919710667,3.53122337453303,1.931218512,0.932527188
O=C(O)C(C)(C)C[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)(C)C,"hydrindane,Custom_52,Custom_9",10058,"hydrindane,Custom_52,Custom_9",1,0,0.199,0.444,1,1,0.465,0.518,1,1,0.327,0.483,1,1,0.854,0.794,0,1,0.417,0.673,1,1,0.437,0.682,0,1,3,5,3321,[1900:5900],1,0.399,0.478,2,0.45,1,0,0,1,0,4,0,-1,280.45,0,512.854,437.39,75.464,0,0,955.787,1,2,0,0.0038997,0.9149807,29.528,8.143,12.444,4.019,4.423,-4.226,-4.026,-1.1,482.921,-0.279,286.48,-2.526,0,0,0,0.511,3,100,0,0,42.326,2,0,0,9,0,9,9,20,0.0496582293564361,0.06,[0.01:0.13],1,0.323,0.658,23.38,[10.5:41.11],1,0.213,0.514,-4.81,[-5.15:-4.47],1,0.238,0.507,-10.76,[-10.96:-10.55],0,0.258,0.628,1.84,[1.6:2.08],1,0.639,0.742,1.33,[0.79:1.87],0,0.236,0.42,1,1,0.435073122668742,0.499290724782517,0.72,[0.08:1.36],1,0.366,0.468,2.98,[2.41:3.55],1,0.421,0.588,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,4,2,1,1,37.3,78.6092,0.494,1.609420652,0.919710667,3.52126887559839,1.931218512,0.932527188
O=C(O)C(C)(C)C[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCCC,"hydrindane,Custom_52,Custom_10",10059,"hydrindane,Custom_52,Custom_10",1,1,0.213,0.541,1,1,0.404,0.516,1,1,0.267,0.529,1,1,0.494,0.612,0,1,0.424,0.666,1,1,0.398,0.531,0,1,3,5,3577,[2000:6400],1,0.726,0.753,2,0.42857143,2,0,0,1,0,7,0,-1,294.476,0,559.918,505.076,54.842,0,0,1036.756,1,2,0,0.003572,0.8847596,30.842,8.586,12.263,3.33,5.08,-4.596,-4.316,-1.589,757.596,-0.325,466.095,-1.858,0,0,0,0.604,3,95.266,0,0,36.101,2,1,0,9,0,9,9,21,0.103418399085127,0.06,[0.01:0.13],1,0.343,0.678,23.22,[10.5:40.88],1,0.218,0.516,-4.86,[-5.19:-4.53],1,0.221,0.501,-10.76,[-10.96:-10.55],0,0.264,0.63,1.82,[1.56:2.08],1,0.484,0.683,1.33,[0.79:1.87],0,0.237,0.421,1,1,0.461910907407744,0.537242510342475,0.44,[0.04:0.85],1,0.365,0.547,3.27,[2.18:4.36],1,0.422,0.356,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,78.5677,0.573,1.609420652,0.919710667,3.55351894014897,1.931218512,0.932527188
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O=C(O)C(C)(C)C[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@@H](C)CC,"hydrindane,Custom_52,Custom_12",10061,"hydrindane,Custom_52,Custom_12",1,1,0.21,0.541,1,1,0.404,0.516,1,1,0.263,0.527,1,1,0.453,0.635,0,1,0.426,0.667,1,1,0.399,0.532,0,1,4,5,6177,[3500:11000],1,0.594,0.736,2,0.42857143,2,0,0,1,0,6,0,-1,294.476,0,554.781,489.5,65.282,0,0,1029.522,1,2,0,0.003605,0.8887929,31.195,8.61,12.639,3.609,4.962,-4.665,-4.316,-1.524,603.164,-0.349,364.304,-2.147,0,0,0,0.627,3,100,0,0,36.484,2,0,0,9,0,9,9,21,0.0454372345836798,0.06,[0.01:0.13],1,0.338,0.672,23.28,[10.5:40.93],1,0.214,0.515,-4.86,[-5.2:-4.52],1,0.225,0.502,-10.76,[-10.96:-10.55],0,0.257,0.628,1.83,[1.58:2.08],1,0.544,0.706,1.08,[0.44:1.72],0,0.238,0.395,1,1,0.462783957026851,0.537679035152029,0.43,[0.04:0.84],1,0.356,0.543,2.85,[2.08:3.62],1,0.417,0.448,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,6,2,1,1,37.3,81.6934,0.534,1.609420652,0.919710667,3.79077760133769,1.931218512,0.932527188
O=C(O)C(C)(C)C[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCC(C)C,"hydrindane,Custom_52,Custom_13",10062,"hydrindane,Custom_52,Custom_13",0,1,0.211,0.543,1,1,0.404,0.516,1,1,0.267,0.529,1,1,0.451,0.63,0,1,0.423,0.67,1,1,0.392,0.567,0,1,4,5,6177,[3500:11000],1,0.594,0.741,2,0.42857143,2,0,0,1,0,6,0,-1,294.476,0,569.609,494.145,75.464,0,0,1048.019,1,2,0,0.0035112,0.8759936,31.935,8.802,12.966,3.714,5.008,-4.937,-4.316,-1.731,482.921,-0.454,286.48,-2.334,0,0,0,0.677,3,91.344,0,0,42.326,2,1,0,9,0,9,9,21,0.0157813252900113,0.05,[0:0.13],1,0.318,0.657,23.29,[10.5:40.94],1,0.215,0.515,-4.92,[-5.29:-4.55],1,0.226,0.487,-10.76,[-10.96:-10.55],0,0.257,0.628,1.84,[1.6:2.08],1,0.603,0.731,1.33,[0.79:1.87],0,0.239,0.421,1,1,0.465955530620033,0.53926482194862,0.44,[0.04:0.85],1,0.367,0.547,2.85,[2.07:3.63],1,0.417,0.446,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,6,2,1,1,37.3,82.6538,0.534,1.609420652,0.919710667,3.79077760133769,1.931218512,0.932527188
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O=C(O)C(C)(C)C[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)(C)CC,"hydrindane,Custom_52,Custom_16",10065,"hydrindane,Custom_52,Custom_16",0,0,0.19,0.496,1,1,0.345,0.458,1,1,0.315,0.477,1,1,0.827,0.828,0,1,0.42,0.678,1,1,0.401,0.701,0,1,3,5,3426,[1900:6100],1,0.548,0.745,2,0.42857143,2,0,0,1,0,5,0,-1,294.476,0,534.031,468.75,65.282,0,0,989.074,1,2,0,0.0037451,0.898982,30.218,8.288,12.377,3.78,4.704,-4.449,-4.316,-1.359,603.164,-0.276,364.304,-2.243,0,0,0,0.558,3,100,0,0,36.484,2,0,0,9,0,9,9,21,0.0599531805108848,0.06,[0:0.14],1,0.333,0.662,14.02,[3:27.24],1,0.205,0.492,-4.83,[-5.17:-4.49],1,0.223,0.501,-10.76,[-10.96:-10.55],0,0.246,0.624,1.84,[1.6:2.08],1,0.599,0.73,1.33,[0.79:1.87],0,0.234,0.42,0,1,0.426892939253,0.495200633074646,0.72,[0.08:1.36],1,0.321,0.453,2.66,[2.15:3.17],1,0.407,0.534,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,5,2,1,1,37.3,83.4576,0.494,1.609420652,0.919710667,3.53478735862949,1.931218512,0.932527188
O=C(O)C(C)(C)C[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCCCC,"hydrindane,Custom_52,Custom_17",10066,"hydrindane,Custom_52,Custom_17",1,1,0.249,0.561,1,1,0.438,0.528,1,1,0.258,0.523,1,1,0.493,0.612,0,1,0.427,0.667,1,1,0.403,0.533,0,1,3,5,3719,[2100:6600],1,0.383,0.447,2,0.40909091,2,0,0,1,0,8,0,-1,308.503,0,612.546,537.852,74.693,0,0,1119.133,1,2,0,0.0032651,0.8510357,33.497,9.386,13.241,3.371,5.466,-5.4,-4.606,-2.135,491.115,-0.606,291.738,-2.128,0,0,0,0.788,3,94.159,0,0,42.186,2,1,0,9,0,9,9,22,0.00914376910410121,0.06,[0.01:0.13],1,0.345,0.681,16.11,[3:36.11],1,0.209,0.456,-5.04,[-5.27:-4.81],1,0.211,0.545,-10.76,[-10.96:-10.55],0,0.253,0.626,1.82,[1.57:2.07],1,0.42,0.668,1.33,[0.79:1.87],0,0.235,0.42,1,1,0.454651614965703,0.533612864121455,0.32,[-0.22:0.86],1,0.334,0.505,3.61,[2.41:4.81],1,0.414,0.335,308.271530392001,58,22,20,2,0,0,2,0,0.95,8,2,1,1,37.3,81.4793,0.573,1.609420652,0.919710667,3.57042617835897,1.931218512,0.932527188
O=C(O)C(C)(C)C[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)CCCC,"hydrindane,Custom_52,Custom_18",10067,"hydrindane,Custom_52,Custom_18",1,1,0.207,0.494,1,1,0.398,0.508,1,1,0.255,0.522,1,1,0.535,0.657,0,1,0.425,0.703,1,1,0.401,0.617,0,1,3,5,3006,[1700:5300],1,0.368,0.635,2,0.40909091,2,0,0,1,0,7,0,-1,308.503,0,588.899,523.617,65.282,0,0,1085.589,1,2,0,0.0033962,0.867431,32.797,9.048,13.023,3.471,5.318,-5.128,-4.606,-1.87,603.164,-0.437,364.304,-2.051,0,0,0,0.739,3,94.89,0,0,36.484,2,1,0,9,0,9,9,22,0.020454216738248,0.06,[0:0.14],1,0.341,0.667,14.06,[3:27.34],1,0.205,0.492,-4.94,[-5.3:-4.57],1,0.213,0.484,-10.76,[-10.96:-10.55],0,0.246,0.624,1.83,[1.57:2.09],1,0.467,0.678,1.33,[0.79:1.87],0,0.23,0.418,1,1,0.446243566403859,0.529408839840533,0.44,[0.04:0.85],1,0.32,0.532,3.5,[2.3:4.7],1,0.401,0.332,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,84.1914,0.534,1.609420652,0.919710667,3.47798897625089,1.931218512,0.932527188
O=C(O)C(C)(C)C[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@H](C)CCC,"hydrindane,Custom_52,Custom_19",10068,"hydrindane,Custom_52,Custom_19",0,1,0.207,0.542,1,1,0.398,0.508,1,1,0.253,0.521,1,1,0.538,0.649,0,1,0.429,0.684,1,1,0.413,0.669,0,1,3,5,3006,[1700:5300],1,0.405,0.62,2,0.40909091,2,0,0,1,0,7,0,-1,308.503,0,591.929,527.676,64.253,0,0,1088.974,1,2,0,0.0033788,0.8647828,32.932,9.065,13.03,3.471,5.347,-5.184,-4.606,-1.912,616.86,-0.431,373.254,-2.032,0,0,0,0.748,3,95.231,0,0,36.509,2,1,0,9,0,9,9,22,0.0187949758351016,0.12,[0.01:0.25],1,0.334,0.575,14.09,[3:27.39],1,0.206,0.492,-4.98,[-5.3:-4.63],1,0.216,0.494,-10.76,[-10.96:-10.55],0,0.246,0.624,1.83,[1.58:2.08],1,0.484,0.685,1.33,[0.79:1.87],0,0.234,0.419,1,1,0.448734839959439,0.530654476618323,0.44,[0.04:0.85],1,0.33,0.536,3.5,[2.3:4.7],1,0.404,0.332,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,86.1452,0.534,1.609420652,0.919710667,3.47798897625089,1.931218512,0.932527188
O=C(O)C(C)(C)C[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC[C@H](C)CC,"hydrindane,Custom_52,Custom_20",10069,"hydrindane,Custom_52,Custom_20",1,1,0.21,0.497,1,1,0.398,0.508,1,1,0.256,0.522,1,1,0.452,0.589,0,1,0.423,0.666,1,1,0.394,0.487,0,1,3,5,3005,[1700:5300],1,0.459,0.648,2,0.40909091,2,0,0,1,0,7,0,-1,308.503,0,589.402,518.482,70.919,0,0,1092.141,1,2,0,0.0033933,0.8701744,33.059,9.156,13.249,3.51,5.322,-5.137,-4.606,-1.825,533.299,-0.483,318.915,-2.154,0,0,0,0.758,3,93.955,0,0,41.81,2,1,0,9,0,9,9,22,0.015762718838473,0.12,[0.01:0.25],1,0.327,0.573,14.09,[3:27.4],1,0.206,0.492,-4.94,[-5.3:-4.57],1,0.213,0.484,-10.76,[-10.96:-10.55],0,0.246,0.624,1.83,[1.58:2.08],1,0.491,0.688,1.33,[0.79:1.87],0,0.234,0.419,1,1,0.456016690271676,0.534295401774442,0.44,[0.04:0.85],1,0.33,0.536,3.51,[2.31:4.71],1,0.406,0.332,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,85.7316,0.534,1.609420652,0.919710667,3.47784447633876,1.931218512,0.932527188
O=C(O)C(C)(C)C[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCC(C)C,"hydrindane,Custom_52,Custom_21",10070,"hydrindane,Custom_52,Custom_21",0,1,0.21,0.543,1,1,0.398,0.508,1,1,0.256,0.523,1,1,0.536,0.59,0,1,0.429,0.683,1,1,0.406,0.578,0,1,3,5,3005,[1700:5300],1,0.398,0.645,2,0.40909091,2,0,0,1,0,7,0,-1,308.503,0,585.948,520.667,65.282,0,0,1082.693,1,2,0,0.0034133,0.8702476,32.681,9.03,13.008,3.464,5.3,-5.074,-4.606,-1.824,603.164,-0.433,364.304,-2.051,0,0,0,0.731,3,94.784,0,0,36.484,2,1,0,9,0,9,9,22,0.0231730293927909,0.12,[0.01:0.25],1,0.319,0.569,16.06,[3:36.08],1,0.207,0.454,-4.94,[-5.3:-4.57],1,0.215,0.484,-10.76,[-10.96:-10.55],0,0.246,0.624,1.83,[1.58:2.08],1,0.5,0.692,1.33,[0.79:1.87],0,0.232,0.419,1,1,0.458062656794639,0.535318385035923,0.33,[-0.21:0.87],1,0.338,0.507,3.52,[2.32:4.72],1,0.407,0.332,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,85.5654,0.534,1.609420652,0.919710667,3.47784447633876,1.931218512,0.932527188
O=C(O)C(C)(C)C[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)[C@H](C)CC,"hydrindane,Custom_52,Custom_22",10071,"hydrindane,Custom_52,Custom_22",1,1,0.265,0.438,1,1,0.398,0.507,1,1,0.254,0.521,1,1,0.497,0.708,0,1,0.426,0.713,1,1,0.406,0.703,0,1,4,5,5276,[3000:9400],1,0.436,0.608,2,0.40909091,2,0,0,1,0,6,0,-1,308.503,0,571.887,510.208,61.679,0,0,1081.48,1,2,0,0.0034972,0.890979,33.274,9.063,13.431,3.626,5.321,-4.978,-4.606,-1.489,652.526,-0.316,396.634,-2.08,0,0,0,0.774,3,95.517,0,0,36.484,2,1,0,9,0,9,9,22,0.0269553330929014,0.06,[0:0.14],1,0.347,0.668,14.02,[3:27.31],1,0.202,0.49,-4.93,[-5.3:-4.56],1,0.214,0.484,-10.76,[-10.96:-10.55],0,0.243,0.623,1.83,[1.58:2.08],1,0.487,0.686,1.33,[0.79:1.87],0,0.233,0.419,1,1,0.439842067035483,0.526208090156345,0.72,[0.09:1.35],1,0.297,0.446,3.43,[2.23:4.63],1,0.387,0.329,308.271530392001,58,22,20,2,0,0,2,0,0.95,6,2,1,1,37.3,85.3633,0.495,1.609420652,0.919710667,3.72230478687433,1.931218512,0.932527188
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O=C(O)C(C)(C)C[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)(C)CCC,"hydrindane,Custom_52,Custom_24",10073,"hydrindane,Custom_52,Custom_24",1,0,0.189,0.479,1,1,0.384,0.478,1,1,0.268,0.458,1,1,0.491,0.726,0,1,0.432,0.716,1,1,0.417,0.706,0,1,4,5,5191,[2900:9200],1,0.435,0.611,2,0.40909091,2,0,0,1,0,6,0,-1,308.503,0,564.638,499.357,65.282,0,0,1046.978,1,2,0,0.0035421,0.8831199,31.893,8.747,12.858,3.633,5.073,-4.846,-4.606,-1.616,603.164,-0.356,364.304,-2.147,0,0,0,0.675,3,93.453,0,0,36.484,2,1,0,9,0,9,9,22,0.0314135145005561,0.12,[0:0.26],1,0.341,0.569,15.81,[3:34.9],0,0.198,0.459,-4.94,[-5.3:-4.57],1,0.216,0.484,-10.76,[-10.96:-10.55],0,0.235,0.62,1.83,[1.58:2.08],1,0.499,0.691,1.34,[0.8:1.88],0,0.23,0.418,1,1,0.425104446659508,0.55804372614228,0.72,[0.09:1.35],1,0.299,0.446,3.43,[2.23:4.63],1,0.379,0.327,308.271530392001,58,22,20,2,0,0,2,0,0.95,6,2,1,1,37.3,86.7828,0.494,1.609420652,0.919710667,3.71525102887885,1.931218512,0.932527188
O=C(O)C(C)(C)C[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC(C)(C)CC,"hydrindane,Custom_52,Custom_25",10074,"hydrindane,Custom_52,Custom_25",1,0,0.152,0.452,1,1,0.464,0.518,1,1,0.261,0.456,1,1,0.459,0.689,0,1,0.431,0.7,1,1,0.408,0.579,0,1,4,5,5190,[2900:9200],1,0.44,0.614,2,0.40909091,2,0,0,1,0,6,0,-1,308.503,0,562.723,497.442,65.282,0,0,1048.906,1,2,0,0.0035541,0.8872129,31.971,8.78,12.931,3.629,5.086,-4.81,-4.606,-1.55,603.164,-0.351,364.304,-2.147,0,0,0,0.681,3,93.53,0,0,36.484,2,1,0,9,0,9,9,22,0.0340566576204178,0.12,[0.01:0.26],1,0.321,0.558,14.01,[3:27.35],0,0.199,0.489,-4.94,[-5.3:-4.57],1,0.218,0.484,-10.76,[-10.96:-10.55],0,0.235,0.62,1.83,[1.58:2.08],1,0.486,0.686,1.33,[0.79:1.87],0,0.237,0.42,1,1,0.431775857319583,0.522174985298395,0.44,[0.04:0.85],1,0.321,0.532,3.43,[2.23:4.63],1,0.386,0.328,308.271530392001,58,22,20,2,0,0,2,0,0.95,6,2,1,1,37.3,88.2122,0.494,1.609420652,0.919710667,3.71516735784846,1.931218512,0.932527188
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CC[C@](C)(C(=O)O)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)CCCC,"hydrindane,Custom_54,Custom_18",10117,"hydrindane,Custom_54,Custom_18",1,1,0.28,0.451,1,1,0.438,0.528,1,1,0.255,0.522,1,1,0.495,0.718,0,1,0.437,0.718,1,1,0.41,0.597,0,1,4,5,6024,[3400:11000],1,0.429,0.682,2,0.40909091,2,0,0,1,0,7,0,-1,308.503,0,572.785,518.823,53.963,0,0,1075.083,1,2,0,0.0034917,0.8860694,32.376,8.933,12.872,3.355,5.332,-4.832,-4.606,-1.568,772.272,-0.317,475.862,-1.842,0,0,0,0.712,3,96.894,0,0,36.498,2,1,0,9,0,9,9,22,0.065339924648776,0.05,[0:0.13],1,0.356,0.672,26.3,[10.5:68.76],1,0.207,0.467,-5.03,[-5.27:-4.79],1,0.206,0.541,-10.76,[-10.96:-10.55],0,0.248,0.624,1.82,[1.57:2.07],1,0.446,0.677,1.34,[0.8:1.88],0,0.238,0.421,0,1,0.407997413233903,0.510285763255555,0.73,[0.09:1.37],1,0.277,0.438,3.45,[2.25:4.65],1,0.372,0.324,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,85.0553,0.534,1.609420652,0.919710667,3.77988496319264,1.931218512,0.932527188
CC[C@](C)(C(=O)O)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@H](C)CCC,"hydrindane,Custom_54,Custom_19",10118,"hydrindane,Custom_54,Custom_19",1,1,0.26,0.443,1,1,0.438,0.528,1,1,0.256,0.522,1,1,0.454,0.677,0,1,0.434,0.67,1,1,0.413,0.677,0,1,4,5,6024,[3400:11000],1,0.434,0.688,2,0.40909091,2,0,0,1,0,7,0,-1,308.503,0,583.741,522.733,61.008,0,0,1081.109,1,2,0,0.0034262,0.8726852,32.617,8.993,12.94,3.429,5.32,-5.033,-4.606,-1.785,662.153,-0.392,402.963,-1.972,0,0,0,0.727,3,95.626,0,0,36.498,2,1,0,9,0,9,9,22,0.0304976692144154,0.06,[0:0.14],1,0.353,0.67,26.28,[10.5:68.68],1,0.207,0.467,-4.95,[-5.3:-4.59],1,0.208,0.485,-10.76,[-10.96:-10.55],0,0.248,0.624,1.82,[1.57:2.07],1,0.464,0.685,1.34,[0.8:1.88],0,0.241,0.422,0,1,0.409227223211638,0.510900668244422,0.72,[0.09:1.35],1,0.288,0.443,3.45,[2.25:4.65],1,0.377,0.325,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,87.0091,0.534,1.609420652,0.919710667,3.77988496319264,1.931218512,0.932527188
CC[C@](C)(C(=O)O)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC[C@H](C)CC,"hydrindane,Custom_54,Custom_20",10119,"hydrindane,Custom_54,Custom_20",1,1,0.279,0.445,1,1,0.398,0.508,1,1,0.258,0.523,1,1,0.529,0.682,0,1,0.433,0.674,1,1,0.406,0.596,0,1,4,5,6024,[3400:11000],1,0.443,0.692,2,0.40909091,2,0,0,1,0,7,0,-1,308.503,0,566.265,503.042,63.223,0,0,1060.363,1,2,0,0.0035319,0.888073,31.787,8.873,12.81,3.402,5.174,-4.713,-4.606,-1.536,630.898,-0.393,382.444,-2.013,0,0,0,0.671,3,94.395,0,0,36.697,2,1,0,9,0,9,9,22,0.0580860717181363,0.06,[0:0.14],1,0.347,0.668,26.25,[10.5:68.61],1,0.208,0.467,-4.95,[-5.3:-4.59],1,0.204,0.484,-10.76,[-10.96:-10.55],0,0.248,0.624,1.83,[1.57:2.09],1,0.474,0.681,1.34,[0.8:1.88],0,0.24,0.422,0,1,0.416121934895649,0.514348024086428,0.72,[0.09:1.35],1,0.289,0.443,3.46,[2.26:4.66],1,0.38,0.326,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,86.5955,0.534,1.609420652,0.919710667,3.77988496319264,1.931218512,0.932527188
CC[C@](C)(C(=O)O)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CCCC(C)C,"hydrindane,Custom_54,Custom_21",10120,"hydrindane,Custom_54,Custom_21",1,1,0.257,0.444,1,1,0.358,0.488,1,1,0.258,0.523,1,1,0.566,0.713,0,1,0.437,0.67,1,1,0.419,0.636,0,1,4,5,6024,[3400:11000],1,0.527,0.707,2,0.40909091,2,0,0,1,0,7,0,-1,308.503,0,570.471,509.997,60.475,0,0,1069.282,1,2,0,0.0035059,0.8864603,32.144,8.928,12.89,3.394,5.25,-4.79,-4.606,-1.562,669.914,-0.371,408.07,-1.962,0,0,0,0.696,3,95.307,0,0,36.283,2,1,0,9,0,9,9,22,0.0546513765147094,0.12,[0.01:0.25],1,0.34,0.577,26.27,[10.5:68.6],1,0.207,0.467,-4.95,[-5.3:-4.59],1,0.207,0.485,-10.76,[-10.96:-10.55],0,0.248,0.624,1.83,[1.58:2.08],1,0.491,0.688,1.34,[0.8:1.88],0,0.238,0.422,0,1,0.418206419947027,0.515390266612117,0.72,[0.09:1.35],1,0.3,0.448,3.46,[2.26:4.66],1,0.383,0.327,308.271530392001,58,22,20,2,0,0,2,0,0.95,7,2,1,1,37.3,86.4293,0.534,1.609420652,0.919710667,3.77988496319264,1.931218512,0.932527188
CC[C@](C)(C(=O)O)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2[C@@H](C)[C@H](C)CC,"hydrindane,Custom_54,Custom_22",10121,"hydrindane,Custom_54,Custom_22",1,1,0.282,0.451,1,1,0.438,0.527,1,1,0.256,0.522,1,1,0.501,0.715,0,1,0.434,0.717,1,1,0.405,0.634,0,1,4,5,5359,[3000:9500],1,0.449,0.59,2,0.40909091,2,0,0,1,0,6,0,-1,308.503,0,559.936,514.118,45.818,0,0,1065.208,1,2,0,0.0035718,0.9008445,32.623,8.846,13.013,3.489,5.328,-4.759,-4.606,-1.329,922.585,-0.175,576.719,-1.788,0,0,0,0.73,3,100,0,0,35.041,2,1,0,9,0,9,9,22,0.0874917903868097,0.05,[0:0.13],1,0.361,0.674,26.4,[10.5:68.95],1,0.204,0.465,-4.87,[-5.24:-4.5],1,0.208,0.485,-10.76,[-10.96:-10.55],0,0.244,0.623,1.82,[1.57:2.07],1,0.464,0.684,1.34,[0.8:1.88],0,0.241,0.422,0,1,0.407806775175883,0.549394890400468,0.95,[0.06:1.84],0,0.255,0.358,2.68,[2.16:3.2],1,0.36,0.512,308.271530392001,58,22,20,2,0,0,2,0,0.95,6,2,1,1,37.3,86.2272,0.495,1.609420652,0.919710667,3.72908375704361,1.931218512,0.932527188
CC[C@](C)(C(=O)O)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C[C@H](C)C(C)C,"hydrindane,Custom_54,Custom_23",10122,"hydrindane,Custom_54,Custom_23",1,1,0.282,0.452,1,1,0.438,0.527,1,1,0.26,0.524,1,1,0.535,0.71,0,1,0.436,0.678,1,1,0.407,0.593,0,1,4,5,5359,[3000:9500],1,0.446,0.591,2,0.40909091,2,0,0,1,0,6,0,-1,308.503,0,571.825,510.816,61.008,0,0,1067.785,1,2,0,0.0034976,0.8835372,32.726,8.908,13.123,3.621,5.236,-4.977,-4.606,-1.609,662.153,-0.319,402.963,-2.068,0,0,0,0.734,3,95.135,0,0,36.498,2,1,0,9,0,9,9,22,0.0278062116253469,0.11,[0:0.24],1,0.351,0.575,26.38,[10.5:68.84],1,0.205,0.466,-4.94,[-5.3:-4.58],1,0.208,0.486,-10.76,[-10.96:-10.55],0,0.244,0.623,1.83,[1.58:2.08],1,0.503,0.693,1.33,[0.79:1.87],0,0.243,0.423,0,1,0.41791457520309,0.515244344240148,0.73,[0.09:1.37],1,0.278,0.438,2.68,[2.15:3.21],1,0.366,0.512,308.271530392001,58,22,20,2,0,0,2,0,0.95,6,2,1,1,37.3,88.0148,0.495,1.609420652,0.919710667,3.72908375704361,1.931218512,0.932527188
CC[C@](C)(C(=O)O)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2C(C)(C)CCC,"hydrindane,Custom_54,Custom_24",10123,"hydrindane,Custom_54,Custom_24",1,1,0.142,0.51,1,1,0.344,0.458,1,1,0.268,0.457,1,1,0.49,0.72,0,1,0.439,0.72,1,1,0.403,0.702,0,1,4,5,6342,[3600:11000],1,0.544,0.733,2,0.40909091,2,0,0,1,0,6,0,-1,308.503,0,563.189,507.912,55.277,0,0,1056.671,1,2,0,0.0035512,0.890849,32.281,8.795,12.929,3.562,5.206,-4.819,-4.606,-1.491,750.426,-0.262,461.328,-1.962,0,0,0,0.704,3,95.93,0,0,36.417,2,1,0,9,0,9,9,22,0.0510569417211728,0.11,[0:0.25],1,0.359,0.577,16.68,[3.15:61.76],1,0.201,0.413,-4.79,[-5.22:-4.36],1,0.209,0.46,-10.76,[-10.96:-10.55],0,0.236,0.62,1.83,[1.58:2.08],1,0.489,0.687,1.34,[0.8:1.88],0,0.238,0.421,0,1,0.406414968279668,0.54869898695236,0.96,[0.07:1.85],0,0.256,0.358,2.69,[2.17:3.21],1,0.353,0.511,308.271530392001,58,22,20,2,0,0,2,0,0.95,6,2,1,1,37.3,87.6467,0.494,1.609420652,0.919710667,3.80222623769107,1.931218512,0.932527188
CC[C@](C)(C(=O)O)[C@H](C1)C[C@@H]([C@H]12)CCC[C@H]2CC(C)(C)CC,"hydrindane,Custom_54,Custom_25",10124,"hydrindane,Custom_54,Custom_25",1,1,0.189,0.505,1,1,0.344,0.458,1,1,0.306,0.474,1,1,0.541,0.746,0,1,0.439,0.715,1,1,0.423,0.643,0,1,4,5,5409,[3000:9600],1,0.507,0.59,2,0.40909091,2,0,0,1,0,6,0,-1,308.503,0,556.475,493.212,63.263,0,0,1042.115,1,2,0,0.0035941,0.8932987,31.699,8.73,12.852,3.6,5.057,-4.696,-4.606,-1.451,630.349,-0.327,382.084,-2.109,0,0,0,0.663,3,93.706,0,0,36.498,2,1,0,9,0,9,9,22,0.0482875057751243,0.12,[0.01:0.26],1,0.346,0.568,16.62,[3.15:61.58],1,0.202,0.413,-4.93,[-5.3:-4.56],1,0.21,0.482,-10.76,[-10.96:-10.55],0,0.236,0.62,1.83,[1.58:2.08],1,0.497,0.691,1.33,[0.79:1.87],0,0.244,0.423,0,1,0.419355556636172,0.555169281130612,0.72,[0.08:1.36],0,0.277,0.438,2.68,[2.15:3.21],1,0.361,0.511,308.271530392001,58,22,20,2,0,0,2,0,0.95,6,2,1,1,37.3,89.0761,0.494,1.609420652,0.919710667,3.73311698144206,1.931218512,0.932527188
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O=C(O)[C@H](C)[C@H]1CC[C@@H]([C@H]12)[C@H](CC(C)C)CCC2,"hydrindane,,Custom_8",10182,"hydrindane,,Custom_8",0,1,0.289,0.63,1,1,0.451,0.575,1,1,0.377,0.622,0,1,0.448,0.652,0,1,0.438,0.626,1,1,0.405,0.535,0,1,4,5,5655,[3200:10000],1,0.459,0.573,2,0.5,1,0,0,1,0,4,0,-1,252.396,0,489.672,414.888,74.784,0,0,884.071,1,2,0,0.0040844,0.9097413,26.658,7.444,11.252,3.958,3.968,-3.805,-3.45,-1.185,490.148,-0.28,291.118,-2.514,0,0,1,0.311,3,100,0,0,40.569,2,0,0,9,0,9,9,18,0.121227914391306,0.02,[0.01:0.03],1,0.361,0.746,19.4,[10.12:38.87],1,0.252,0.51,-4.62,[-4.9:-4.34],1,0.271,0.562,-10.82,[-10.97:-10.65],1,0.308,0.669,1.81,[1.54:2.08],1,0.496,0.682,0.81,[0.3:1.34],0,0.246,0.465,1,1,0.489300568917496,0.590141787271274,0.39,[-0.04:0.84],1,0.368,0.532,3.49,[3:3.98],1,0.465,0.556,252.208930136,46,18,16,2,0,0,2,0,0.9375,4,2,1,1,37.3,69.5904,0.574,1.65465485,0.920814116,3.75243260926147,1.974165103,0.935447087
O=C(O)[C@H](C)[C@H]1CC[C@@H]([C@H]12)[C@H](C(C)(C)C)CCC2,"hydrindane,,Custom_9",10183,"hydrindane,,Custom_9",1,1,0.266,0.494,1,1,0.428,0.521,1,1,0.279,0.545,1,1,0.815,0.786,0,1,0.424,0.63,1,1,0.394,0.613,0,1,4,5,5196,[2900:9200],1,0.451,0.576,2,0.5,0,0,0,1,0,3,0,-1,252.396,0,466.555,389.477,77.078,0,0,854.32,1,2,0,0.0042867,0.9332745,26.11,7.345,11.299,4.139,3.82,-3.581,-3.45,-0.804,466.195,-0.207,275.771,-2.652,0,0,1,0.276,3,100,0,0,41.705,2,0,0,9,0,9,9,18,0.158613909757483,0.03,[0.01:0.05],1,0.359,0.738,19.47,[10.12:38.86],1,0.242,0.507,-4.62,[-4.89:-4.35],1,0.268,0.563,-10.82,[-10.97:-10.65],1,0.288,0.661,1.82,[1.56:2.08],1,0.552,0.703,0.81,[0.3:1.34],0,0.239,0.463,1,1,0.471350352494014,0.581166679059533,0.74,[0.09:1.39],1,0.364,0.455,3.33,[2.77:3.89],1,0.465,0.569,252.208930136,46,18,16,2,0,0,2,0,0.9375,3,2,1,1,37.3,69.584,0.534,1.65465485,0.920814116,3.71566914240099,1.974165103,0.935447087
O=C(O)[C@H](C)[C@H]1CC[C@@H]([C@H]12)[C@@H](CCC2)CCCCC,"hydrindane,,Custom_10",10184,"hydrindane,,Custom_10",0,1,0.33,0.575,1,1,0.405,0.551,1,1,0.348,0.568,0,1,0.453,0.627,0,1,0.443,0.632,1,1,0.412,0.506,0,1,3,5,3893,[2200:6900],1,0.623,0.741,2,0.47368421,1,0,0,1,0,6,0,-1,266.423,0,533.12,457.854,75.267,0,0,958.324,1,2,0,0.0037515,0.8817549,28.346,7.989,11.607,3.625,4.435,-4.269,-3.738,-1.638,485.004,-0.443,287.816,-2.331,0,0,1,0.427,3,100,0,0,40.975,2,0,0,9,0,9,9,19,0.066947115119221,0.03,[0.02:0.04],1,0.363,0.752,19.36,[10.12:38.59],1,0.247,0.51,-4.63,[-4.91:-4.35],1,0.248,0.551,-10.82,[-10.97:-10.65],1,0.299,0.665,1.81,[1.55:2.07],1,0.417,0.664,0.81,[0.3:1.34],0,0.238,0.462,1,1,0.476624476064968,0.58380374084501,0.44,[0.04:0.86],1,0.386,0.551,2.97,[2.12:3.82],1,0.435,0.451,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,6,2,1,1,37.3,69.5425,0.613,1.624709484,0.918686155,3.59028440371816,1.949404529,0.934024125
O=C(O)[C@H](C)[C@H]1CC[C@@H]([C@H]12)[C@@H](CCC2)[C@@H](C)CCC,"hydrindane,,Custom_11",10185,"hydrindane,,Custom_11",0,1,0.356,0.595,1,1,0.364,0.531,1,1,0.339,0.563,1,1,0.49,0.618,1,1,0.439,0.614,1,1,0.415,0.602,0,1,3,5,3449,[1900:6100],1,0.512,0.611,2,0.47368421,1,0,0,1,0,5,0,-1,266.423,0,513.293,436.215,77.078,0,0,935.237,1,2,0,0.0038964,0.9010462,28.064,7.886,11.737,3.81,4.278,-4.071,-3.738,-1.326,466.195,-0.371,275.771,-2.46,0,0,1,0.409,3,100,0,0,41.705,2,0,0,9,0,9,9,19,0.0784829542345113,0.03,[0.02:0.04],1,0.369,0.75,19.37,[10.12:38.58],1,0.243,0.509,-4.62,[-4.9:-4.34],1,0.251,0.553,-10.82,[-10.97:-10.65],1,0.288,0.66,1.82,[1.56:2.08],1,0.482,0.679,0.81,[0.3:1.34],0,0.238,0.462,1,1,0.473962744380066,0.58247287500256,0.44,[0.04:0.86],1,0.365,0.544,3.22,[2.51:3.93],1,0.449,0.522,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,5,2,1,1,37.3,72.2546,0.574,1.624709484,0.918686155,3.53769319436739,1.949404529,0.934024125
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O=C(O)CCCC[C@H]1CC[C@@H]([C@H]12)[C@@H](CCC2)[C@@H](C)CCC,"hydrindane,Custom_47,Custom_11",10310,"hydrindane,Custom_47,Custom_11",0,1,0.303,0.642,1,1,0.433,0.564,1,1,0.345,0.586,1,1,0.58,0.561,0,1,0.572,0.635,1,1,0.423,0.558,0,1,3,5,4400,[2500:7800],1,0.437,0.458,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,596.261,488.103,108.159,0,0,1076.922,1,2,0,0.0033542,0.8521537,31.808,9.231,13.134,3.56,4.963,-5.1,-4.316,-2.117,236.5,-0.912,132.426,-2.745,0,0,1,0.669,3,100,0,0,50.947,2,0,0,9,0,9,9,21,0.00420560174852843,0.03,[0.01:0.04],1,0.354,0.754,30.21,[10.5:77.78],1,0.225,0.44,-4.93,[-5.29:-4.57],1,0.216,0.487,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.398,0.659,1.08,[0.56:1.6],0,0.209,0.43,1,1,0.46201298557862,0.576497995601836,0.45,[0.04:0.86],1,0.325,0.533,3.44,[2.24:4.64],1,0.431,0.337,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,77.7247,0.613,1.609420652,0.919710667,3.64345267648619,1.931218512,0.932527188
O=C(O)CCCC[C@H]1CC[C@@H]([C@H]12)[C@@H](CCC2)C[C@@H](C)CC,"hydrindane,Custom_47,Custom_12",10311,"hydrindane,Custom_47,Custom_12",0,1,0.311,0.644,1,1,0.433,0.564,1,1,0.344,0.585,1,1,0.575,0.6,0,1,0.448,0.62,1,1,0.434,0.524,0,1,3,5,4400,[2500:7800],1,0.445,0.46,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,593.474,485.315,108.159,0,0,1078.841,1,2,0,0.00337,0.8571728,31.884,9.261,13.222,3.553,4.976,-5.049,-4.316,-2.036,236.5,-0.9,132.426,-2.745,0,0,1,0.675,3,100,0,0,50.947,2,0,0,9,0,9,9,21,0.00473231345390175,0.03,[0.01:0.04],1,0.358,0.756,30.24,[10.5:77.78],1,0.226,0.44,-4.92,[-5.28:-4.56],1,0.216,0.487,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.387,0.655,0.86,[0.38:1.34],0,0.212,0.48,1,1,0.467208999761858,0.579096002693455,0.44,[0.04:0.85],1,0.33,0.535,3.44,[2.24:4.64],1,0.43,0.336,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,78.1383,0.613,1.609420652,0.919710667,3.64345267648619,1.931218512,0.932527188
O=C(O)CCCC[C@H]1CC[C@@H]([C@H]12)[C@@H](CCC2)CCC(C)C,"hydrindane,Custom_47,Custom_13",10312,"hydrindane,Custom_47,Custom_13",0,1,0.274,0.593,1,1,0.433,0.564,1,1,0.349,0.59,1,1,0.538,0.583,0,1,0.441,0.617,1,1,0.436,0.515,0,1,3,5,4401,[2500:7800],1,0.451,0.461,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,604.023,496.699,107.323,0,0,1086.707,1,2,0,0.0033111,0.8462921,32.199,9.305,13.207,3.573,5.031,-5.243,-4.316,-2.212,240.854,-0.918,135.063,-2.729,0,0,1,0.696,3,86.072,0,0,50.541,2,1,0,9,0,9,9,21,0.00313656434783472,0.06,[0.01:0.13],1,0.326,0.675,30.25,[10.5:77.77],1,0.226,0.44,-4.92,[-5.28:-4.56],1,0.215,0.487,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.452,0.68,1.08,[0.56:1.6],0,0.212,0.432,1,1,0.470776476502413,0.580879741063733,0.16,[-0.24:0.56],1,0.337,0.539,3.44,[2.24:4.64],1,0.427,0.334,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,79.0987,0.613,1.609420652,0.919710667,3.64355136856294,1.931218512,0.932527188
O=C(O)CCCC[C@H]1CC[C@@H]([C@H]12)[C@H]([C@@H](C)C(C)C)CCC2,"hydrindane,Custom_47,Custom_14",10313,"hydrindane,Custom_47,Custom_14",0,1,0.59,0.757,1,1,0.353,0.523,1,1,0.342,0.582,1,1,0.569,0.556,0,1,0.529,0.619,1,1,0.421,0.562,0,1,3,5,3634,[2000:6500],1,0.425,0.462,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,639.622,531.464,108.159,0,0,1120.491,1,2,0,0.0031268,0.8156688,34.193,9.6,13.653,3.885,5.237,-6.062,-4.316,-2.707,236.5,-0.942,132.426,-2.841,0,0,1,0.828,3,87.139,0,0,50.947,2,1,1,9,0,9,9,21,0.000368175328660481,0.06,[0.01:0.13],1,0.342,0.681,16.28,[3:36.19],1,0.223,0.461,-4.92,[-5.28:-4.56],1,0.216,0.487,-10.82,[-10.96:-10.64],0,0.257,0.638,1.82,[1.57:2.07],1,0.439,0.675,1.06,[0.52:1.6],0,0.21,0.42,1,1,0.461977954446399,0.576480480035726,0.44,[0.04:0.85],1,0.316,0.53,3.36,[2.17:4.55],1,0.43,0.34,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,78.7304,0.574,1.609420652,0.919710667,3.56038492297202,1.931218512,0.932527188
O=C(O)CCCC[C@H]1CC[C@@H]([C@H]12)[C@H](CC(C)(C)C)CCC2,"hydrindane,Custom_47,Custom_15",10314,"hydrindane,Custom_47,Custom_15",0,1,0.497,0.749,1,1,0.364,0.496,1,1,0.261,0.526,1,1,0.571,0.613,0,1,0.808,0.814,1,1,0.569,0.618,0,1,3,5,3573,[2000:6400],1,0.608,0.741,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,585.268,477.11,108.159,0,0,1061.317,1,2,0,0.0034172,0.8597528,31.825,9.104,13.253,3.754,4.864,-5.061,-4.316,-1.994,236.5,-0.834,132.426,-2.841,0,0,1,0.669,3,100,0,0,50.947,2,0,0,9,0,9,9,21,0.00369008551859907,0.06,[0.01:0.13],1,0.312,0.664,16.28,[3:36.19],1,0.221,0.46,-4.93,[-5.29:-4.57],1,0.215,0.486,-10.82,[-10.96:-10.64],0,0.248,0.635,1.95,[1.77:2.13],1,0.495,0.717,0.86,[0.38:1.34],0,0.213,0.481,1,1,0.463379853449028,0.57718142953704,0.44,[0.04:0.85],1,0.338,0.537,3.28,[2.18:4.38],1,0.418,0.35,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,79.8087,0.573,1.609420652,0.919710667,3.55303301620244,1.931218512,0.932527188
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O=C(O)[C@H](C)[C@H]1CC[C@@H]([C@H]12)C[C@H](CC2)C(C)(C)CC,"hydrindane,,Custom_16",10565,"hydrindane,,Custom_16",1,1,0.285,0.449,1,1,0.419,0.517,1,1,0.275,0.555,1,1,0.825,0.809,1,1,0.428,0.61,1,1,0.404,0.581,0,1,3,5,3108,[1700:5500],1,0.432,0.572,2,0.47368421,0,0,0,1,0,4,0,-1,266.423,0,502.98,425.902,77.077,0,0,914.502,1,2,0,0.0039763,0.9058808,27.876,7.721,11.734,4.006,4.146,-4.046,-3.738,-1.247,466.205,-0.304,275.777,-2.556,0,0,1,0.394,3,100,0,0,41.704,2,0,0,9,0,9,9,19,0.0665952029219625,0.03,[0.01:0.05],1,0.362,0.739,19.49,[10.12:38.67],1,0.233,0.506,-4.62,[-4.9:-4.34],1,0.249,0.554,-10.82,[-10.96:-10.65],1,0.272,0.644,1.83,[1.58:2.08],1,0.593,0.722,1.08,[0.44:1.72],0,0.236,0.394,1,1,0.458972789393487,0.535773451335347,0.73,[0.08:1.38],1,0.339,0.455,3.04,[2.47:3.61],1,0.45,0.558,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,4,2,1,1,37.3,74.4324,0.534,1.624709484,0.918686155,3.49248101012888,1.949404529,0.934024125
O=C(O)[C@H](C)[C@H]1CC[C@@H]([C@H]12)C[C@H](CC2)CCCCCC,"hydrindane,,Custom_17",10566,"hydrindane,,Custom_17",0,1,0.322,0.65,1,1,0.439,0.567,1,1,0.287,0.548,1,1,0.533,0.618,0,1,0.447,0.632,1,1,0.419,0.512,0,1,3,5,3563,[2000:6300],1,0.507,0.483,2,0.45,1,0,0,1,0,7,0,-1,280.45,0,569.493,494.717,74.776,0,0,1020.524,1,2,0,0.0035119,0.8607796,30.193,8.489,12.079,3.489,4.833,-4.772,-4.026,-1.977,490.225,-0.531,291.167,-2.226,0,0,1,0.555,3,100,0,0,40.779,2,0,0,9,0,9,9,20,0.0282195276642099,0.02,[0:0.04],1,0.368,0.758,19.46,[10.12:38.51],1,0.238,0.508,-4.74,[-5.13:-4.35],1,0.233,0.479,-10.82,[-10.96:-10.65],1,0.283,0.648,1.81,[1.55:2.07],1,0.395,0.657,1.33,[0.79:1.87],0,0.237,0.42,1,1,0.467667432592706,0.579325219108879,0.43,[0.04:0.84],1,0.373,0.548,2.87,[2.07:3.67],1,0.442,0.443,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,72.4541,0.613,1.609420652,0.919710667,3.55181582235102,1.931218512,0.932527188
O=C(O)[C@H](C)[C@H]1CC[C@@H]([C@H]12)C[C@H](CC2)[C@H](C)CCCC,"hydrindane,,Custom_18",10567,"hydrindane,,Custom_18",0,1,0.309,0.605,1,1,0.398,0.547,1,1,0.323,0.552,1,1,0.492,0.618,1,1,0.442,0.618,1,1,0.421,0.565,0,1,4,5,6394,[3600:11000],1,0.43,0.697,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,550.182,475.405,74.776,0,0,997.753,1,2,0,0.0036352,0.8776896,29.923,8.338,12.178,3.663,4.69,-4.581,-4.026,-1.704,490.225,-0.445,291.167,-2.322,0,0,1,0.536,3,100,0,0,40.779,2,0,0,9,0,9,9,20,0.0351052062401946,0.03,[0.02:0.04],1,0.363,0.752,19.47,[10.12:38.5],1,0.233,0.507,-4.74,[-5.13:-4.35],1,0.237,0.48,-10.82,[-10.96:-10.65],1,0.273,0.644,1.81,[1.56:2.06],1,0.453,0.678,1.08,[0.44:1.72],0,0.232,0.393,1,1,0.464917942842404,0.577950474233729,0.44,[0.04:0.85],1,0.355,0.542,2.64,[2.13:3.15],1,0.438,0.538,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,75.1662,0.574,1.609420652,0.919710667,3.80577263193567,1.931218512,0.932527188
O=C(O)[C@H](C)[C@H]1CC[C@@H]([C@H]12)C[C@H](CC2)C[C@@H](C)CCC,"hydrindane,,Custom_19",10568,"hydrindane,,Custom_19",0,1,0.282,0.628,1,1,0.438,0.567,1,1,0.321,0.551,1,1,0.493,0.595,0,1,0.446,0.627,1,1,0.42,0.63,0,1,4,5,6394,[3600:11000],1,0.432,0.694,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,551.274,474.197,77.077,0,0,1000.086,1,2,0,0.003628,0.8773154,30.017,8.374,12.249,3.681,4.689,-4.601,-4.026,-1.71,466.205,-0.466,275.777,-2.364,0,0,1,0.543,3,100,0,0,41.704,2,0,0,9,0,9,9,20,0.0304080591292829,0.03,[0.02:0.04],1,0.356,0.749,19.48,[10.12:38.53],1,0.235,0.507,-4.74,[-5.13:-4.35],1,0.24,0.481,-10.82,[-10.96:-10.65],1,0.273,0.644,1.82,[1.56:2.08],1,0.484,0.682,0.81,[0.3:1.34],0,0.236,0.462,1,1,0.469176521863985,0.580079763744519,0.44,[0.04:0.85],1,0.366,0.546,2.94,[2:3.91],1,0.436,0.409,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,77.12,0.574,1.609420652,0.919710667,3.80577263193567,1.931218512,0.932527188
O=C(O)[C@H](C)[C@H]1CC[C@@H]([C@H]12)C[C@H](CC2)CC[C@@H](C)CC,"hydrindane,,Custom_20",10569,"hydrindane,,Custom_20",0,1,0.317,0.607,1,1,0.398,0.547,1,1,0.283,0.551,1,1,0.491,0.62,0,1,0.44,0.622,1,1,0.408,0.506,0,1,4,5,6393,[3600:11000],1,0.433,0.696,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,551.324,474.247,77.077,0,0,1000.72,1,2,0,0.0036276,0.8776062,30.042,8.381,12.262,3.681,4.693,-4.602,-4.026,-1.705,466.205,-0.465,275.777,-2.364,0,0,1,0.545,3,100,0,0,41.704,2,0,0,9,0,9,9,20,0.0303435182596904,0.03,[0.02:0.04],1,0.349,0.744,19.51,[10.12:38.56],1,0.235,0.507,-4.74,[-5.13:-4.35],1,0.235,0.481,-10.82,[-10.96:-10.65],1,0.273,0.644,1.82,[1.56:2.08],1,0.503,0.689,0.81,[0.3:1.34],0,0.235,0.462,1,1,0.475106975378417,0.583044990501735,0.44,[0.04:0.85],1,0.368,0.547,2.83,[2.06:3.6],1,0.439,0.455,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,76.7064,0.574,1.609420652,0.919710667,3.80570470443386,1.931218512,0.932527188
O=C(O)[C@H](C)[C@H]1CC[C@@H]([C@H]12)C[C@H](CC2)CCCC(C)C,"hydrindane,,Custom_21",10570,"hydrindane,,Custom_21",0,1,0.288,0.63,1,1,0.438,0.567,1,1,0.283,0.549,1,1,0.534,0.596,0,1,0.445,0.632,1,1,0.425,0.551,0,1,4,5,6393,[3600:11000],1,0.443,0.699,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,556.718,481.942,74.776,0,0,1006.647,1,2,0,0.0035925,0.8725317,30.279,8.4,12.265,3.679,4.746,-4.701,-4.026,-1.787,490.225,-0.453,291.167,-2.322,0,0,1,0.56,3,100,0,0,40.779,2,0,0,9,0,9,9,20,0.0266547219309704,0.03,[0.02:0.04],1,0.339,0.741,19.51,[10.12:38.56],1,0.235,0.507,-4.81,[-5.15:-4.47],1,0.237,0.508,-10.82,[-10.96:-10.65],1,0.273,0.644,1.83,[1.58:2.08],1,0.542,0.705,1.33,[0.79:1.87],0,0.233,0.419,1,1,0.477298532808676,0.584140769216864,0.44,[0.04:0.85],1,0.378,0.55,2.83,[2.05:3.61],1,0.437,0.452,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,76.5402,0.574,1.609420652,0.919710667,3.80570470443386,1.931218512,0.932527188
O=C(O)[C@H](C)[C@H]1CC[C@@H]([C@H]12)C[C@H](CC2)[C@H](C)[C@@H](C)CC,"hydrindane,,Custom_22",10571,"hydrindane,,Custom_22",0,1,0.615,0.762,1,1,0.397,0.546,1,1,0.322,0.547,1,1,0.526,0.61,1,1,0.441,0.617,1,1,0.414,0.604,0,1,3,5,3412,[1900:6100],1,0.436,0.592,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,535.571,458.494,77.077,0,0,977.778,1,2,0,0.0037343,0.889559,29.766,8.221,12.299,3.864,4.548,-4.477,-4.026,-1.512,466.205,-0.387,275.777,-2.46,0,0,1,0.525,3,100,0,0,41.704,2,0,0,9,0,9,9,20,0.0324423504676109,0.03,[0.02:0.04],1,0.368,0.75,19.52,[10.12:38.56],1,0.23,0.505,-4.73,[-5.12:-4.34],1,0.237,0.481,-10.82,[-10.96:-10.65],1,0.269,0.642,1.81,[1.56:2.06],1,0.472,0.685,0.81,[0.3:1.34],0,0.235,0.462,1,1,0.460551214009546,0.536562663643377,0.71,[0.07:1.35],1,0.326,0.453,2.72,[2.11:3.33],1,0.441,0.521,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,76.3381,0.535,1.609420652,0.919710667,3.53300902249549,1.931218512,0.932527188
O=C(O)[C@H](C)[C@H]1CC[C@@H]([C@H]12)C[C@H](CC2)C[C@@H](C)C(C)C,"hydrindane,,Custom_23",10572,"hydrindane,,Custom_23",0,1,0.312,0.606,1,1,0.397,0.546,1,1,0.288,0.55,1,1,0.526,0.649,1,1,0.441,0.617,1,1,0.408,0.507,0,1,3,5,3413,[1900:6100],1,0.444,0.605,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,537.789,460.711,77.077,0,0,985.254,1,2,0,0.0037189,0.890401,30.065,8.294,12.425,3.869,4.596,-4.517,-4.026,-1.498,466.205,-0.386,275.777,-2.46,0,0,1,0.546,3,100,0,0,41.704,2,0,0,9,0,9,9,20,0.0295552003343689,0.03,[0.02:0.04],1,0.351,0.744,19.55,[10.12:38.6],1,0.231,0.506,-4.62,[-4.9:-4.34],1,0.239,0.549,-10.82,[-10.96:-10.65],1,0.269,0.642,1.83,[1.58:2.08],1,0.549,0.707,0.81,[0.3:1.34],0,0.238,0.463,1,1,0.472504621939421,0.581743813782237,0.43,[0.04:0.84],1,0.354,0.541,2.71,[2.09:3.33],1,0.436,0.515,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,78.1257,0.535,1.609420652,0.919710667,3.53313628827864,1.931218512,0.932527188
O=C(O)[C@H](C)[C@H]1CC[C@@H]([C@H]12)C[C@H](CC2)C(C)(C)CCC,"hydrindane,,Custom_24",10573,"hydrindane,,Custom_24",1,1,0.308,0.497,1,1,0.411,0.513,1,1,0.272,0.539,1,1,0.532,0.716,0,1,0.439,0.671,1,1,0.406,0.638,0,1,3,5,3420,[1900:6100],1,0.436,0.592,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,534.299,459.522,74.776,0,0,972.632,1,2,0,0.0037432,0.8885458,29.56,8.152,12.17,3.845,4.531,-4.454,-4.026,-1.528,490.225,-0.369,291.167,-2.418,0,0,1,0.511,3,100,0,0,40.779,2,0,0,9,0,9,9,20,0.0377346206647043,0.03,[0.02:0.04],1,0.358,0.747,19.56,[10.09:38.59],1,0.224,0.505,-4.74,[-5.13:-4.35],1,0.237,0.48,-10.82,[-10.96:-10.64],0,0.258,0.638,1.83,[1.58:2.08],1,0.542,0.705,1.08,[0.44:1.72],0,0.232,0.393,1,1,0.449699293847479,0.531136703562343,0.72,[0.08:1.36],1,0.328,0.453,2.74,[2.12:3.36],1,0.434,0.519,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,77.7576,0.534,1.609420652,0.919710667,3.53402610605613,1.931218512,0.932527188
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O=C(O)CCC[C@H]1CC[C@@H]([C@H]12)C[C@H](CC2)CCC(C)C,"hydrindane,Custom_43,Custom_13",10587,"hydrindane,Custom_43,Custom_13",0,1,0.284,0.629,1,1,0.439,0.567,1,1,0.314,0.549,1,1,0.536,0.587,0,1,0.441,0.637,1,1,0.423,0.517,0,1,3,5,3596,[2000:6400],1,0.457,0.463,2,0.45,1,0,0,1,0,7,0,-1,280.45,0,579.158,470.786,108.372,0,0,1034.654,1,2,0,0.0034533,0.8542102,30.758,8.839,12.777,3.741,4.69,-4.949,-4.026,-2.084,235.4,-0.849,131.761,-2.845,0,0,1,0.593,3,96.858,0,0,50.856,2,0,0,9,0,9,9,20,0.00450911438458104,0.03,[0.02:0.04],1,0.325,0.741,19.71,[10.12:38.67],1,0.236,0.508,-4.91,[-5.27:-4.55],1,0.226,0.49,-10.82,[-10.96:-10.65],1,0.278,0.646,1.83,[1.58:2.08],1,0.512,0.694,0.86,[0.38:1.34],0,0.216,0.482,1,1,0.481818985355275,0.586400995490164,0.43,[0.04:0.84],1,0.348,0.539,3.1,[2.21:3.99],1,0.434,0.408,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,76.1871,0.613,1.609420652,0.919710667,3.55581968306119,1.931218512,0.932527188
O=C(O)CCC[C@H]1CC[C@@H]([C@H]12)C[C@H](CC2)[C@H](C)C(C)C,"hydrindane,Custom_43,Custom_14",10588,"hydrindane,Custom_43,Custom_14",0,1,0.338,0.592,1,1,0.398,0.547,1,1,0.611,0.693,1,1,0.567,0.555,1,1,0.445,0.612,1,1,0.404,0.58,0,1,4,5,6389,[3600:11000],1,0.448,0.698,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,563.396,455.24,108.156,0,0,1011.296,1,2,0,0.0035499,0.864842,30.465,8.651,12.802,3.922,4.544,-4.823,-4.026,-1.911,236.513,-0.762,132.434,-2.937,0,0,1,0.572,3,96.036,0,0,50.946,2,0,0,9,0,9,9,20,0.0048785753671428,0.03,[0.02:0.04],1,0.344,0.745,19.7,[10.12:38.66],1,0.231,0.507,-4.91,[-5.27:-4.55],1,0.224,0.489,-10.82,[-10.96:-10.65],1,0.27,0.643,1.82,[1.56:2.08],1,0.49,0.685,0.86,[0.38:1.34],0,0.214,0.481,1,1,0.475325913907184,0.583154459766118,0.43,[0.04:0.84],1,0.332,0.533,2.83,[2.05:3.61],1,0.436,0.452,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,75.8188,0.574,1.609420652,0.919710667,3.80543288813214,1.931218512,0.932527188
O=C(O)CCC[C@H]1CC[C@@H]([C@H]12)C[C@H](CC2)CC(C)(C)C,"hydrindane,Custom_43,Custom_15",10589,"hydrindane,Custom_43,Custom_15",0,1,0.241,0.601,1,1,0.411,0.513,1,1,0.228,0.519,1,1,0.872,0.811,0,1,0.766,0.794,1,1,0.465,0.625,0,1,4,5,6987,[3900:12000],1,0.517,0.742,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,542.921,434.763,108.158,0,0,995.873,1,2,0,0.0036838,0.8883107,29.848,8.602,12.8,3.872,4.449,-4.448,-4.026,-1.532,236.505,-0.712,132.429,-2.937,0,0,1,0.533,3,95.482,0,0,50.947,2,0,0,9,0,9,9,20,0.0115583151156312,0.06,[0.01:0.13],1,0.312,0.659,30.15,[10.5:77.68],1,0.229,0.441,-4.92,[-5.28:-4.56],1,0.225,0.488,-10.82,[-10.96:-10.64],0,0.261,0.639,1.84,[1.6:2.08],1,0.574,0.72,0.86,[0.38:1.34],0,0.218,0.482,1,1,0.474876470106522,0.582929737865787,0.42,[0.04:0.83],1,0.346,0.537,2.86,[2.06:3.66],1,0.419,0.439,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,76.8971,0.573,1.609420652,0.919710667,3.84429074325434,1.931218512,0.932527188
O=C(O)CCC[C@H]1CC[C@@H]([C@H]12)C[C@H](CC2)C(C)(C)CC,"hydrindane,Custom_43,Custom_16",10590,"hydrindane,Custom_43,Custom_16",1,1,0.268,0.441,1,1,0.411,0.513,1,1,0.27,0.531,0,1,0.779,0.799,1,1,0.432,0.614,1,1,0.406,0.643,0,1,4,5,6986,[3900:12000],1,0.453,0.727,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,555.47,447.314,108.156,0,0,1000.49,1,2,0,0.0036006,0.8709219,30.033,8.571,12.696,3.903,4.475,-4.678,-4.026,-1.813,236.513,-0.749,132.434,-2.937,0,0,1,0.543,3,95.637,0,0,50.946,2,0,0,9,0,9,9,20,0.0068143136686334,0.03,[0.02:0.04],1,0.333,0.738,30.24,[10.5:77.94],1,0.226,0.439,-4.91,[-5.27:-4.55],1,0.22,0.488,-10.82,[-10.96:-10.64],0,0.261,0.639,1.83,[1.58:2.08],1,0.529,0.701,1.08,[0.56:1.6],0,0.211,0.431,1,1,0.464571487088137,0.577777246356595,0.43,[0.04:0.85],1,0.325,0.531,2.84,[2.07:3.61],1,0.433,0.453,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,76.9909,0.573,1.609420652,0.919710667,3.84422858130163,1.931218512,0.932527188
O=C(O)CCC[C@H]1CC[C@@H]([C@H]12)C[C@H](CC2)CCCCCC,"hydrindane,Custom_43,Custom_17",10591,"hydrindane,Custom_43,Custom_17",0,1,0.313,0.645,1,1,0.434,0.564,1,1,0.35,0.588,0,1,0.54,0.625,0,1,0.491,0.639,1,1,0.416,0.52,0,1,3,5,3666,[2100:6500],1,0.427,0.454,2,0.42857143,1,0,0,1,0,9,0,-2,294.476,0,621.928,513.556,108.372,0,0,1106.16,1,2,0,0.0032158,0.8317065,32.336,9.474,13.076,3.402,5.146,-5.41,-4.316,-2.448,235.399,-1.023,131.76,-2.653,0,0,1,0.706,3,86.569,0,0,50.856,2,1,0,9,0,9,9,21,0.00254768683720161,0.02,[0:0.04],1,0.373,0.761,30.24,[10.5:77.77],1,0.228,0.441,-4.93,[-5.29:-4.57],1,0.214,0.485,-10.82,[-10.96:-10.65],1,0.278,0.646,1.82,[1.56:2.08],1,0.354,0.643,1.08,[0.56:1.6],0,0.214,0.432,1,1,0.457715977134278,0.574349491379665,0.15,[-0.24:0.54],1,0.328,0.537,3.53,[2.33:4.73],1,0.42,0.333,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,9,2,1,1,37.3,75.0126,0.652,1.609420652,0.919710667,3.5641924606262,1.931218512,0.932527188
O=C(O)CCC[C@H]1CC[C@@H]([C@H]12)C[C@H](CC2)[C@H](C)CCCC,"hydrindane,Custom_43,Custom_18",10592,"hydrindane,Custom_43,Custom_18",0,1,0.305,0.642,1,1,0.433,0.564,1,1,0.348,0.589,1,1,0.58,0.561,0,1,0.485,0.62,1,1,0.417,0.561,0,1,3,5,4393,[2500:7800],1,0.438,0.459,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,602.919,494.763,108.156,0,0,1083.996,1,2,0,0.0033172,0.84643,32.091,9.285,13.18,3.576,5.007,-5.223,-4.316,-2.209,236.513,-0.925,132.434,-2.745,0,0,1,0.688,3,85.794,0,0,50.946,2,1,0,9,0,9,9,21,0.00317255785914808,0.03,[0.02:0.04],1,0.353,0.757,30.25,[10.5:77.87],1,0.225,0.439,-4.93,[-5.29:-4.57],1,0.216,0.486,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.398,0.659,1.08,[0.56:1.6],0,0.21,0.431,1,1,0.464704664505867,0.57784383506546,0.44,[0.04:0.85],1,0.325,0.532,3.43,[2.23:4.63],1,0.428,0.337,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,77.7247,0.613,1.609420652,0.919710667,3.64276120326532,1.931218512,0.932527188
O=C(O)CCC[C@H]1CC[C@@H]([C@H]12)C[C@H](CC2)C[C@@H](C)CCC,"hydrindane,Custom_43,Custom_19",10593,"hydrindane,Custom_43,Custom_19",0,1,0.312,0.644,1,1,0.433,0.564,1,1,0.342,0.598,1,1,0.88,0.732,1,1,0.487,0.639,1,1,0.407,0.576,0,1,3,5,4394,[2500:7800],1,0.494,0.473,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,601.079,492.923,108.156,0,0,1081.861,1,2,0,0.0033273,0.8479063,32.005,9.268,13.163,3.571,4.994,-5.189,-4.316,-2.186,236.513,-0.922,132.434,-2.745,0,0,1,0.682,3,100,0,0,50.946,2,0,0,9,0,9,9,21,0.00342976414803422,0.03,[0.02:0.04],1,0.345,0.754,30.24,[10.5:77.79],1,0.226,0.44,-4.93,[-5.29:-4.57],1,0.216,0.486,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.419,0.667,0.86,[0.38:1.34],0,0.212,0.48,1,1,0.468636285581536,0.579809645603294,0.31,[-0.23:0.85],1,0.329,0.502,3.43,[2.23:4.63],1,0.428,0.336,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,79.6785,0.613,1.609420652,0.919710667,3.64286005258449,1.931218512,0.932527188
O=C(O)CCC[C@H]1CC[C@@H]([C@H]12)C[C@H](CC2)CC[C@@H](C)CC,"hydrindane,Custom_43,Custom_20",10594,"hydrindane,Custom_43,Custom_20",0,1,0.309,0.644,1,1,0.433,0.564,1,1,0.347,0.615,1,1,0.535,0.581,0,1,0.444,0.638,1,1,0.42,0.556,0,1,3,5,4394,[2500:7800],1,0.439,0.459,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,602.392,494.019,108.372,0,0,1083.397,1,2,0,0.0033201,0.8468595,32.067,9.282,13.179,3.576,5.002,-5.213,-4.316,-2.202,235.4,-0.926,131.761,-2.749,0,0,1,0.686,3,85.727,0,0,50.856,2,1,0,9,0,9,9,21,0.0032146626363158,0.03,[0.02:0.04],1,0.337,0.752,30.32,[10.5:77.9],1,0.225,0.44,-4.93,[-5.29:-4.57],1,0.215,0.486,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.43,0.671,1.08,[0.56:1.6],0,0.212,0.432,1,1,0.472984220843596,0.581983613234325,0.31,[-0.23:0.85],1,0.329,0.502,3.43,[2.23:4.63],1,0.429,0.336,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,79.2649,0.613,1.609420652,0.919710667,3.64286005258449,1.931218512,0.932527188
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O=C(O)CCCC[C@H]1CC[C@@H]([C@H]12)C[C@H](CC2)CCC,"hydrindane,Custom_47,Custom_4",10678,"hydrindane,Custom_47,Custom_4",0,1,0.285,0.63,1,1,0.405,0.551,1,1,0.285,0.537,0,1,0.538,0.629,0,1,0.493,0.642,1,1,0.426,0.544,0,1,3,5,4173,[2300:7400],1,0.479,0.476,2,0.47368421,1,0,0,1,0,7,0,-1,266.423,0,558.852,450.788,108.065,0,0,989.854,1,2,0,0.0035788,0.8595053,28.965,8.428,12.129,3.69,4.406,-4.577,-3.738,-1.998,236.987,-0.834,132.721,-2.839,0,0,1,0.469,3,95.244,0,0,50.879,2,0,0,9,0,9,9,19,0.010226431084187,0.02,[0:0.04],1,0.358,0.756,19.58,[10.12:38.72],1,0.248,0.511,-4.81,[-5.14:-4.48],1,0.235,0.509,-10.82,[-10.97:-10.65],1,0.309,0.669,1.81,[1.55:2.07],1,0.41,0.661,0.88,[0.42:1.34],0,0.219,0.491,1,1,0.470919930772199,0.580951468198626,0.45,[0.04:0.87],1,0.358,0.542,3.25,[2.28:4.2],1,0.426,0.388,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,7,2,1,1,37.3,69.1894,0.652,1.624709484,0.918686155,3.62044838471171,1.949404529,0.934024125
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O=C(O)CCCC[C@H]1CC[C@@H]([C@H]12)C[C@H](CC2)[C@H](C)C(C)C,"hydrindane,Custom_47,Custom_14",10688,"hydrindane,Custom_47,Custom_14",0,1,0.59,0.757,1,1,0.353,0.523,1,1,0.342,0.582,1,1,0.569,0.556,0,1,0.529,0.619,1,1,0.421,0.562,0,1,3,5,3634,[2000:6500],1,0.425,0.462,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,594.808,486.744,108.065,0,0,1069.584,1,2,0,0.0033624,0.8503505,32.156,9.157,13.276,3.776,4.916,-5.237,-4.316,-2.146,236.987,-0.855,132.721,-2.839,0,0,1,0.691,3,100,0,0,50.879,2,0,0,9,0,9,9,21,0.00247435608570492,0.06,[0.01:0.13],1,0.342,0.681,16.28,[3:36.19],1,0.223,0.461,-4.92,[-5.28:-4.56],1,0.216,0.487,-10.82,[-10.96:-10.64],0,0.257,0.638,1.82,[1.57:2.07],1,0.439,0.675,1.06,[0.52:1.6],0,0.21,0.42,1,1,0.461977954446399,0.576480480035726,0.44,[0.04:0.85],1,0.316,0.53,3.36,[2.17:4.55],1,0.43,0.34,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,78.7304,0.574,1.609420652,0.919710667,3.56038492297202,1.931218512,0.932527188
O=C(O)CCCC[C@H]1CC[C@@H]([C@H]12)C[C@H](CC2)CC(C)(C)C,"hydrindane,Custom_47,Custom_15",10689,"hydrindane,Custom_47,Custom_15",0,1,0.497,0.749,1,1,0.364,0.496,1,1,0.261,0.526,1,1,0.571,0.613,0,1,0.808,0.814,1,1,0.569,0.618,0,1,3,5,3573,[2000:6400],1,0.608,0.741,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,573.617,465.461,108.156,0,0,1049.524,1,2,0,0.0034866,0.8707048,31.353,9.028,13.187,3.726,4.79,-4.847,-4.316,-1.817,236.514,-0.809,132.434,-2.841,0,0,1,0.638,3,100,0,0,50.946,2,0,0,9,0,9,9,21,0.00603854797666901,0.06,[0.01:0.13],1,0.312,0.664,16.28,[3:36.19],1,0.221,0.46,-4.93,[-5.29:-4.57],1,0.215,0.486,-10.82,[-10.96:-10.64],0,0.248,0.635,1.95,[1.77:2.13],1,0.495,0.717,0.86,[0.38:1.34],0,0.213,0.481,1,1,0.463379853449028,0.57718142953704,0.44,[0.04:0.85],1,0.338,0.537,3.28,[2.18:4.38],1,0.418,0.35,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,79.8087,0.573,1.609420652,0.919710667,3.55303301620244,1.931218512,0.932527188
O=C(O)CCCC[C@H]1CC[C@@H]([C@H]12)C[C@H](CC2)C(C)(C)CC,"hydrindane,Custom_47,Custom_16",10690,"hydrindane,Custom_47,Custom_16",1,1,0.262,0.438,1,1,0.404,0.516,1,1,0.262,0.527,0,1,0.779,0.798,1,1,0.439,0.612,1,1,0.418,0.57,0,1,3,5,3573,[2000:6400],1,0.511,0.734,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,587.064,478.908,108.156,0,0,1058.789,1,2,0,0.0034068,0.8557609,31.724,9.07,13.169,3.758,4.847,-5.094,-4.316,-2.058,236.512,-0.843,132.433,-2.841,0,0,1,0.661,3,100,0,0,50.947,2,0,0,9,0,9,9,21,0.00342050841027345,0.06,[0.01:0.13],1,0.331,0.674,16.18,[3:36.09],1,0.218,0.459,-4.92,[-5.28:-4.56],1,0.212,0.486,-10.82,[-10.96:-10.64],0,0.248,0.635,1.82,[1.57:2.07],1,0.463,0.684,1.06,[0.52:1.6],0,0.207,0.419,1,1,0.453273615796212,0.532923864536709,0.45,[0.04:0.86],1,0.308,0.527,3.37,[2.18:4.56],1,0.425,0.34,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,79.9025,0.573,1.609420652,0.919710667,3.55303301620244,1.931218512,0.932527188
O=C(O)CCCC[C@H]1CC[C@@H]([C@H]12)C[C@H](CC2)CCCCCC,"hydrindane,Custom_47,Custom_17",10691,"hydrindane,Custom_47,Custom_17",0,1,0.303,0.641,1,1,0.429,0.561,1,1,0.341,0.587,0,1,0.542,0.611,0,1,0.57,0.626,1,1,0.434,0.524,0,1,3,5,4111,[2300:7300],1,0.401,0.501,2,0.40909091,1,0,0,1,0,10,0,-2,308.503,0,648.118,540.054,108.065,0,0,1157.466,1,2,0,0.0030859,0.8225894,33.747,9.954,13.48,3.243,5.477,-5.731,-4.606,-2.595,236.987,-1.104,132.721,-2.551,0,0,1,0.806,3,88.56,0,0,50.879,2,1,1,9,0,9,9,22,0.00161260515437595,0.03,[0.01:0.04],1,0.371,0.761,16.38,[3:36.22],1,0.218,0.46,-4.94,[-5.3:-4.58],1,0.203,0.483,-10.82,[-10.96:-10.65],0,0.266,0.642,1.82,[1.56:2.08],1,0.322,0.632,1.09,[0.57:1.61],0,0.21,0.43,1,1,0.446994708450876,0.568988857037964,0.09,[-0.33:0.51],1,0.308,0.534,4.11,[3.03:5],1,0.408,0.356,308.271530392001,58,22,20,2,0,0,2,0,0.95,10,2,1,1,37.3,77.9242,0.652,1.609420652,0.919710667,3.61394747678035,1.931218512,0.932527188
O=C(O)CCCC[C@H]1CC[C@@H]([C@H]12)C[C@H](CC2)[C@H](C)CCCC,"hydrindane,Custom_47,Custom_18",10692,"hydrindane,Custom_47,Custom_18",0,1,0.295,0.638,1,1,0.429,0.56,1,1,0.378,0.636,1,1,0.883,0.712,1,1,0.57,0.646,1,1,0.432,0.565,0,1,4,5,5291,[3000:9400],1,0.351,0.441,2,0.40909091,1,0,0,1,0,9,0,-2,308.503,0,633.432,526.111,107.321,0,0,1140.644,1,2,0,0.0031574,0.8334864,33.716,9.795,13.621,3.423,5.376,-5.622,-4.606,-2.419,240.868,-1.009,135.072,-2.633,0,0,1,0.803,3,88.093,0,0,50.54,2,1,0,9,0,9,9,22,0.0017123181471289,0.03,[0.01:0.04],1,0.352,0.754,16.24,[3:36.09],1,0.216,0.459,-4.94,[-5.3:-4.58],1,0.206,0.484,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.357,0.645,1.08,[0.56:1.6],0,0.206,0.429,1,1,0.453636159565691,0.572309582595372,0.33,[-0.22:0.88],1,0.301,0.492,4.1,[2.97:5],1,0.416,0.355,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,80.6363,0.613,1.609420652,0.919710667,3.72353776153206,1.931218512,0.932527188
O=C(O)CCCC[C@H]1CC[C@@H]([C@H]12)C[C@H](CC2)C[C@@H](C)CCC,"hydrindane,Custom_47,Custom_19",10693,"hydrindane,Custom_47,Custom_19",0,1,0.264,0.586,1,1,0.429,0.56,1,1,0.334,0.583,1,1,0.882,0.732,0,1,0.567,0.642,1,1,0.422,0.524,0,1,4,5,5292,[3000:9400],1,0.415,0.46,2,0.40909091,1,0,0,1,0,9,0,-2,308.503,0,631.594,524.274,107.32,0,0,1138.51,1,2,0,0.0031666,0.8348696,33.63,9.776,13.604,3.418,5.362,-5.588,-4.606,-2.396,240.872,-1.005,135.074,-2.633,0,0,1,0.797,3,88.014,0,0,50.539,2,1,0,9,0,9,9,22,0.00185146121745403,0.06,[0.01:0.12],1,0.345,0.684,16.29,[3:36.14],1,0.216,0.459,-4.94,[-5.3:-4.58],1,0.206,0.483,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.372,0.651,1.06,[0.52:1.6],0,0.208,0.419,1,1,0.457415149485548,0.5741990775553,0.32,[-0.23:0.87],1,0.307,0.494,4.04,[2.93:5],1,0.414,0.35,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,82.5901,0.613,1.609420652,0.919710667,3.72361983551546,1.931218512,0.932527188
O=C(O)CCCC[C@H]1CC[C@@H]([C@H]12)C[C@H](CC2)CC[C@@H](C)CC,"hydrindane,Custom_47,Custom_20",10694,"hydrindane,Custom_47,Custom_20",0,1,0.3,0.64,1,1,0.429,0.56,1,1,0.34,0.588,1,1,0.536,0.582,0,1,0.524,0.606,1,1,0.434,0.515,0,1,4,5,5292,[3000:9400],1,0.359,0.443,2,0.40909091,1,0,0,1,0,9,0,-2,308.503,0,634.124,526.803,107.321,0,0,1141.294,1,2,0,0.003154,0.8328931,33.742,9.8,13.624,3.425,5.38,-5.635,-4.606,-2.428,240.868,-1.01,135.072,-2.633,0,0,1,0.805,3,88.117,0,0,50.54,2,1,0,9,0,9,9,22,0.00166269386105889,0.06,[0.01:0.12],1,0.339,0.681,16.29,[3:36.14],1,0.216,0.459,-4.93,[-5.29:-4.57],1,0.204,0.483,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.38,0.654,1.08,[0.56:1.6],0,0.208,0.43,1,1,0.461789725524796,0.576386365574924,0.32,[-0.23:0.87],1,0.306,0.494,4.05,[2.95:5],1,0.415,0.351,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,82.1765,0.613,1.609420652,0.919710667,3.72361983551546,1.931218512,0.932527188
O=C(O)CCCC[C@H]1CC[C@@H]([C@H]12)C[C@H](CC2)CCCC(C)C,"hydrindane,Custom_47,Custom_21",10695,"hydrindane,Custom_47,Custom_21",0,1,0.568,0.736,1,1,0.429,0.56,1,1,0.339,0.587,1,1,0.586,0.589,0,1,0.567,0.629,1,1,0.507,0.587,0,1,4,5,5292,[3000:9400],1,0.376,0.445,2,0.40909091,1,0,0,1,0,9,0,-2,308.503,0,642.705,534.549,108.156,0,0,1152.169,1,2,0,0.0031118,0.8269847,34.177,9.906,13.734,3.451,5.443,-5.794,-4.606,-2.524,236.512,-1.033,132.433,-2.649,0,0,1,0.835,3,88.345,0,0,50.947,2,1,1,9,0,9,9,22,0.00111430320040868,0.06,[0.01:0.13],1,0.329,0.676,16.32,[3:36.17],1,0.217,0.46,-4.93,[-5.29:-4.57],1,0.204,0.483,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.397,0.66,1.08,[0.56:1.6],0,0.207,0.43,1,1,0.4632479149235,0.577115460274276,0.09,[-0.33:0.51],1,0.312,0.535,4.05,[2.95:5],1,0.413,0.35,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,82.0103,0.613,1.609420652,0.919710667,3.72361983551546,1.931218512,0.932527188
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O=C(O)[C@H](C)[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)[C@@H](C)CCC,"hydrindane,,Custom_11",10935,"hydrindane,,Custom_11",0,1,0.356,0.595,1,1,0.364,0.531,1,1,0.339,0.563,1,1,0.49,0.618,1,1,0.439,0.614,1,1,0.415,0.602,0,1,3,5,3449,[1900:6100],1,0.512,0.611,2,0.47368421,1,0,0,1,0,5,0,-1,266.423,0,515.001,449.055,65.946,0,0,941.622,1,2,0,0.0038835,0.9021407,28.319,7.872,11.667,3.739,4.396,-4.102,-3.738,-1.308,594.471,-0.278,358.633,-2.255,0,0,1,0.427,3,100,0,0,41.705,2,0,0,9,0,9,9,19,0.117182226062229,0.03,[0.02:0.04],1,0.369,0.75,19.37,[10.12:38.58],1,0.243,0.509,-4.62,[-4.9:-4.34],1,0.251,0.553,-10.82,[-10.97:-10.65],1,0.288,0.66,1.82,[1.56:2.08],1,0.482,0.679,0.81,[0.3:1.34],0,0.238,0.462,1,1,0.473962744380066,0.58247287500256,0.44,[0.04:0.86],1,0.365,0.544,3.22,[2.51:3.93],1,0.449,0.522,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,5,2,1,1,37.3,72.2546,0.574,1.624709484,0.918686155,3.53769319436739,1.949404529,0.934024125
O=C(O)[C@H](C)[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)C[C@H](C)CC,"hydrindane,,Custom_12",10936,"hydrindane,,Custom_12",0,1,0.326,0.613,1,1,0.404,0.551,1,1,0.342,0.567,1,1,0.489,0.61,0,1,0.444,0.629,1,1,0.413,0.507,0,1,3,5,3450,[1900:6100],1,0.452,0.602,2,0.47368421,1,0,0,1,0,5,0,-1,266.423,0,522.557,446.443,76.115,0,0,945.654,1,2,0,0.0038273,0.8916329,28.481,7.925,11.797,3.826,4.349,-4.239,-3.738,-1.478,476.107,-0.376,282.114,-2.442,0,0,1,0.436,3,100,0,0,41.705,2,0,0,9,0,9,9,19,0.0554482110473433,0.03,[0.02:0.04],1,0.365,0.749,19.39,[10.12:38.61],1,0.244,0.509,-4.62,[-4.9:-4.34],1,0.252,0.554,-10.82,[-10.97:-10.65],1,0.288,0.66,1.81,[1.54:2.08],1,0.464,0.673,0.81,[0.3:1.34],0,0.241,0.464,1,1,0.480006293458302,0.585494649541677,0.43,[0.04:0.85],1,0.374,0.546,3.23,[2.52:3.94],1,0.444,0.52,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,5,2,1,1,37.3,72.6682,0.574,1.624709484,0.918686155,3.53781909507327,1.949404529,0.934024125
O=C(O)[C@H](C)[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)CCC(C)C,"hydrindane,,Custom_13",10937,"hydrindane,,Custom_13",0,1,0.293,0.632,1,1,0.444,0.571,1,1,0.346,0.569,0,1,0.529,0.646,0,1,0.44,0.631,1,1,0.407,0.523,0,1,3,5,3450,[1900:6100],1,0.445,0.606,2,0.47368421,1,0,0,1,0,5,0,-1,266.423,0,519.005,456.237,62.768,0,0,950.035,1,2,0,0.0038535,0.9005055,28.656,7.919,11.733,3.727,4.471,-4.175,-3.738,-1.334,637.19,-0.254,386.568,-2.196,0,0,1,0.45,3,100,0,0,41.705,2,0,0,9,0,9,9,19,0.113384164795529,0.02,[0.01:0.03],1,0.347,0.741,19.4,[10.12:38.62],1,0.245,0.509,-4.63,[-4.91:-4.35],1,0.254,0.554,-10.82,[-10.97:-10.65],1,0.288,0.66,1.82,[1.56:2.08],1,0.573,0.713,0.81,[0.3:1.34],0,0.241,0.463,1,1,0.485030783292133,0.588006894458593,0.44,[0.04:0.86],1,0.384,0.55,3.24,[2.53:3.95],1,0.439,0.518,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,5,2,1,1,37.3,73.6286,0.574,1.624709484,0.918686155,3.53781909507327,1.949404529,0.934024125
O=C(O)[C@H](C)[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)[C@@H](C)C(C)C,"hydrindane,,Custom_14",10938,"hydrindane,,Custom_14",0,1,0.339,0.583,1,1,0.363,0.53,1,1,0.345,0.56,1,1,0.826,0.759,1,1,0.438,0.615,1,1,0.413,0.603,0,1,4,5,5665,[3200:10000],1,0.438,0.568,2,0.47368421,1,0,0,1,0,4,0,-1,266.423,0,510.77,438.05,72.72,0,0,928.069,1,2,0,0.0039157,0.9008644,28.419,7.787,11.831,3.995,4.262,-4.188,-3.738,-1.329,512.737,-0.275,305.646,-2.476,0,0,1,0.431,3,100,0,0,41.705,2,0,0,9,0,9,9,19,0.0578325372865697,0.03,[0.01:0.05],1,0.368,0.743,19.43,[10.12:38.64],1,0.239,0.507,-4.62,[-4.9:-4.34],1,0.253,0.555,-10.82,[-10.96:-10.65],1,0.285,0.649,1.82,[1.56:2.08],1,0.54,0.701,0.81,[0.3:1.34],0,0.24,0.463,1,1,0.471260834584174,0.581121920104613,0.71,[0.07:1.35],1,0.35,0.46,3.04,[2.47:3.61],1,0.451,0.558,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,4,2,1,1,37.3,73.2603,0.535,1.624709484,0.918686155,3.75319991419942,1.949404529,0.934024125
O=C(O)[C@H](C)[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)CC(C)(C)C,"hydrindane,,Custom_15",10939,"hydrindane,,Custom_15",0,1,0.251,0.575,1,1,0.419,0.517,1,1,0.278,0.557,1,1,0.573,0.638,0,1,0.434,0.633,1,1,0.406,0.615,0,1,3,5,3108,[1700:5500],1,0.432,0.569,2,0.47368421,1,0,0,1,0,4,0,-1,266.423,0,496.223,420.109,76.115,0,0,917.55,1,2,0,0.0040304,0.9202544,27.998,7.831,11.895,3.983,4.175,-3.924,-3.738,-1.015,476.107,-0.277,282.114,-2.538,0,0,1,0.406,3,100,0,0,41.705,2,0,0,9,0,9,9,19,0.0920035424537656,0.03,[0.01:0.05],1,0.337,0.73,19.51,[10.12:38.71],1,0.236,0.506,-4.79,[-5.13:-4.45],1,0.26,0.517,-10.82,[-10.96:-10.65],1,0.272,0.644,1.83,[1.58:2.08],1,0.623,0.734,0.81,[0.3:1.34],0,0.243,0.464,1,1,0.47259849714967,0.581790751387361,0.43,[0.04:0.85],1,0.376,0.546,3.27,[2.56:3.98],1,0.436,0.517,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,4,2,1,1,37.3,74.3386,0.534,1.624709484,0.918686155,3.49248101012888,1.949404529,0.934024125
O=C(O)[C@H](C)[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)C(C)(C)CC,"hydrindane,,Custom_16",10940,"hydrindane,,Custom_16",1,1,0.285,0.449,1,1,0.419,0.517,1,1,0.275,0.555,1,1,0.825,0.809,1,1,0.428,0.61,1,1,0.404,0.581,0,1,3,5,3108,[1700:5500],1,0.432,0.572,2,0.47368421,1,0,0,1,0,4,0,-1,266.423,0,493.503,428.398,65.105,0,0,909.558,1,2,0,0.0040527,0.9199451,27.678,7.678,11.586,3.902,4.2,-3.874,-3.738,-1.02,605.487,-0.19,365.821,-2.335,0,0,1,0.383,3,100,0,0,41.705,2,0,0,9,0,9,9,19,0.164447658177779,0.03,[0.01:0.05],1,0.362,0.739,19.49,[10.12:38.67],1,0.233,0.506,-4.62,[-4.9:-4.34],1,0.249,0.554,-10.82,[-10.96:-10.65],1,0.272,0.644,1.83,[1.58:2.08],1,0.593,0.722,1.08,[0.44:1.72],0,0.236,0.394,1,1,0.458972789393487,0.535773451335347,0.73,[0.08:1.38],1,0.339,0.455,3.04,[2.47:3.61],1,0.45,0.558,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,4,2,1,1,37.3,74.4324,0.534,1.624709484,0.918686155,3.49248101012888,1.949404529,0.934024125
O=C(O)[C@H](C)[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)CCCCCC,"hydrindane,,Custom_17",10941,"hydrindane,,Custom_17",0,1,0.322,0.65,1,1,0.439,0.567,1,1,0.287,0.548,1,1,0.533,0.618,0,1,0.447,0.632,1,1,0.419,0.512,0,1,3,5,3563,[2000:6300],1,0.507,0.483,2,0.45,1,0,0,1,0,7,0,-1,280.45,0,573.708,500.075,73.633,0,0,1025.141,1,2,0,0.0034861,0.8570315,30.377,8.512,12.092,3.491,4.87,-4.849,-4.026,-2.038,502.623,-0.527,299.134,-2.204,0,0,1,0.567,3,100,0,0,40.78,2,0,0,9,0,9,9,20,0.0247938611713789,0.02,[0:0.04],1,0.368,0.758,19.46,[10.12:38.51],1,0.238,0.508,-4.74,[-5.13:-4.35],1,0.233,0.479,-10.82,[-10.96:-10.65],1,0.283,0.648,1.81,[1.55:2.07],1,0.395,0.657,1.33,[0.79:1.87],0,0.237,0.42,1,1,0.467667432592706,0.579325219108879,0.43,[0.04:0.84],1,0.373,0.548,2.87,[2.07:3.67],1,0.442,0.443,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,7,2,1,1,37.3,72.4541,0.613,1.609420652,0.919710667,3.55181582235102,1.931218512,0.932527188
O=C(O)[C@H](C)[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)[C@H](C)CCCC,"hydrindane,,Custom_18",10942,"hydrindane,,Custom_18",0,1,0.309,0.605,1,1,0.398,0.547,1,1,0.323,0.552,1,1,0.492,0.618,1,1,0.442,0.618,1,1,0.421,0.565,0,1,4,5,6394,[3600:11000],1,0.43,0.697,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,550.272,482.402,67.871,0,0,999.057,1,2,0,0.0036346,0.8783099,29.976,8.304,12.093,3.616,4.746,-4.583,-4.026,-1.694,570.012,-0.385,342.71,-2.194,0,0,1,0.54,3,100,0,0,40.78,2,0,0,9,0,9,9,20,0.0468806916065772,0.03,[0.02:0.04],1,0.363,0.752,19.47,[10.12:38.5],1,0.233,0.507,-4.74,[-5.13:-4.35],1,0.237,0.48,-10.82,[-10.96:-10.65],1,0.273,0.644,1.81,[1.56:2.06],1,0.453,0.678,1.08,[0.44:1.72],0,0.232,0.393,1,1,0.464917942842404,0.577950474233729,0.44,[0.04:0.85],1,0.355,0.542,2.64,[2.13:3.15],1,0.438,0.538,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,75.1662,0.574,1.609420652,0.919710667,3.80577263193567,1.931218512,0.932527188
O=C(O)[C@H](C)[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)C[C@@H](C)CCC,"hydrindane,,Custom_19",10943,"hydrindane,,Custom_19",0,1,0.282,0.628,1,1,0.438,0.567,1,1,0.321,0.551,1,1,0.493,0.595,0,1,0.446,0.627,1,1,0.42,0.63,0,1,4,5,6394,[3600:11000],1,0.432,0.694,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,555.934,479.819,76.115,0,0,1005.034,1,2,0,0.0035975,0.8728287,30.215,8.396,12.265,3.686,4.727,-4.686,-4.026,-1.782,476.107,-0.464,282.114,-2.346,0,0,1,0.556,3,100,0,0,41.705,2,0,0,9,0,9,9,20,0.0260292032677615,0.03,[0.02:0.04],1,0.356,0.749,19.48,[10.12:38.53],1,0.235,0.507,-4.74,[-5.13:-4.35],1,0.24,0.481,-10.82,[-10.96:-10.65],1,0.273,0.644,1.82,[1.56:2.08],1,0.484,0.682,0.81,[0.3:1.34],0,0.236,0.462,1,1,0.469176521863985,0.580079763744519,0.44,[0.04:0.85],1,0.366,0.546,2.94,[2:3.91],1,0.436,0.409,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,77.12,0.574,1.609420652,0.919710667,3.80577263193567,1.931218512,0.932527188
O=C(O)[C@H](C)[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)CC[C@H](C)CC,"hydrindane,,Custom_20",10944,"hydrindane,,Custom_20",0,1,0.317,0.607,1,1,0.398,0.547,1,1,0.283,0.551,1,1,0.491,0.62,0,1,0.44,0.622,1,1,0.408,0.506,0,1,4,5,6393,[3600:11000],1,0.433,0.696,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,541.92,480.432,61.488,0,0,999.425,1,2,0,0.0036906,0.892065,29.99,8.323,12.133,3.553,4.795,-4.43,-4.026,-1.471,655.248,-0.313,398.423,-2.077,0,0,1,0.544,3,100,0,0,41.705,2,0,0,9,0,9,9,20,0.0873551168699493,0.03,[0.02:0.04],1,0.349,0.744,19.51,[10.12:38.56],1,0.235,0.507,-4.74,[-5.13:-4.35],1,0.235,0.481,-10.82,[-10.96:-10.65],1,0.273,0.644,1.82,[1.56:2.08],1,0.503,0.689,0.81,[0.3:1.34],0,0.235,0.462,1,1,0.475106975378417,0.583044990501735,0.44,[0.04:0.85],1,0.368,0.547,2.83,[2.06:3.6],1,0.439,0.455,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,76.7064,0.574,1.609420652,0.919710667,3.80570470443386,1.931218512,0.932527188
O=C(O)[C@H](C)[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)CCCC(C)C,"hydrindane,,Custom_21",10945,"hydrindane,,Custom_21",0,1,0.288,0.63,1,1,0.438,0.567,1,1,0.283,0.549,1,1,0.534,0.596,0,1,0.445,0.632,1,1,0.425,0.551,0,1,4,5,6393,[3600:11000],1,0.443,0.699,2,0.45,1,0,0,1,0,6,0,-1,280.45,0,543.26,487.21,56.05,0,0,996.965,1,2,0,0.0036815,0.8884036,29.892,8.245,11.969,3.519,4.816,-4.454,-4.026,-1.53,737.86,-0.272,452.985,-1.976,0,0,1,0.536,3,100,0,0,40.78,2,0,0,9,0,9,9,20,0.103997951573365,0.03,[0.02:0.04],1,0.339,0.741,19.51,[10.12:38.56],1,0.235,0.507,-4.81,[-5.15:-4.47],1,0.237,0.508,-10.82,[-10.96:-10.65],1,0.273,0.644,1.83,[1.58:2.08],1,0.542,0.705,1.33,[0.79:1.87],0,0.233,0.419,1,1,0.477298532808676,0.584140769216864,0.44,[0.04:0.85],1,0.378,0.55,2.83,[2.05:3.61],1,0.437,0.452,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,6,2,1,1,37.3,76.5402,0.574,1.609420652,0.919710667,3.80570470443386,1.931218512,0.932527188
O=C(O)[C@H](C)[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)[C@H](C)[C@@H](C)CC,"hydrindane,,Custom_22",10946,"hydrindane,,Custom_22",0,1,0.615,0.762,1,1,0.397,0.546,1,1,0.322,0.547,1,1,0.526,0.61,1,1,0.441,0.617,1,1,0.414,0.604,0,1,3,5,3412,[1900:6100],1,0.436,0.592,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,519.786,460.203,59.583,0,0,966.561,1,2,0,0.0038477,0.90955,29.317,8.098,12.027,3.707,4.601,-4.189,-4.026,-1.188,683.085,-0.218,416.749,-2.138,0,0,1,0.498,3,100,0,0,41.705,2,0,0,9,0,9,9,20,0.132227714537697,0.03,[0.02:0.04],1,0.368,0.75,19.52,[10.12:38.56],1,0.23,0.505,-4.73,[-5.12:-4.34],1,0.237,0.481,-10.82,[-10.96:-10.65],1,0.269,0.642,1.81,[1.56:2.06],1,0.472,0.685,0.81,[0.3:1.34],0,0.235,0.462,1,1,0.460551214009546,0.536562663643377,0.71,[0.07:1.35],1,0.326,0.453,2.72,[2.11:3.33],1,0.441,0.521,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,76.3381,0.535,1.609420652,0.919710667,3.53300902249549,1.931218512,0.932527188
O=C(O)[C@H](C)[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)C[C@@H](C)C(C)C,"hydrindane,,Custom_23",10947,"hydrindane,,Custom_23",0,1,0.312,0.606,1,1,0.397,0.546,1,1,0.288,0.55,1,1,0.526,0.649,1,1,0.441,0.617,1,1,0.408,0.507,0,1,3,5,3413,[1900:6100],1,0.444,0.605,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,542.316,466.201,76.115,0,0,990.168,1,2,0,0.0036879,0.8859009,30.262,8.312,12.443,3.874,4.634,-4.6,-4.026,-1.571,476.107,-0.384,282.114,-2.442,0,0,1,0.559,3,100,0,0,41.705,2,0,0,9,0,9,9,20,0.0254496948980701,0.03,[0.02:0.04],1,0.351,0.744,19.55,[10.12:38.6],1,0.231,0.506,-4.62,[-4.9:-4.34],1,0.239,0.549,-10.82,[-10.96:-10.65],1,0.269,0.642,1.83,[1.58:2.08],1,0.549,0.707,0.81,[0.3:1.34],0,0.238,0.463,1,1,0.472504621939421,0.581743813782237,0.43,[0.04:0.84],1,0.354,0.541,2.71,[2.09:3.33],1,0.436,0.515,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,78.1257,0.535,1.609420652,0.919710667,3.53313628827864,1.931218512,0.932527188
O=C(O)[C@H](C)[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)C(C)(C)CCC,"hydrindane,,Custom_24",10948,"hydrindane,,Custom_24",1,1,0.308,0.497,1,1,0.411,0.513,1,1,0.272,0.539,1,1,0.532,0.716,0,1,0.439,0.671,1,1,0.406,0.638,0,1,3,5,3420,[1900:6100],1,0.436,0.592,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,529.215,463.791,65.424,0,0,969.896,1,2,0,0.0037792,0.895398,29.451,8.094,12.041,3.769,4.579,-4.361,-4.026,-1.417,601.29,-0.282,363.081,-2.245,0,0,1,0.504,3,100,0,0,40.78,2,0,0,9,0,9,9,20,0.0694770019403806,0.03,[0.02:0.04],1,0.358,0.747,19.56,[10.09:38.59],1,0.224,0.505,-4.74,[-5.13:-4.35],1,0.237,0.48,-10.82,[-10.96:-10.64],0,0.258,0.638,1.83,[1.58:2.08],1,0.542,0.705,1.08,[0.44:1.72],0,0.232,0.393,1,1,0.449699293847479,0.531136703562343,0.72,[0.08:1.36],1,0.328,0.453,2.74,[2.12:3.36],1,0.434,0.519,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,77.7576,0.534,1.609420652,0.919710667,3.53402610605613,1.931218512,0.932527188
O=C(O)[C@H](C)[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)CC(C)(C)CC,"hydrindane,,Custom_25",10949,"hydrindane,,Custom_25",1,1,0.259,0.533,1,1,0.411,0.513,1,1,0.235,0.514,1,1,0.527,0.686,1,1,0.445,0.622,1,1,0.427,0.553,0,1,3,5,3421,[1900:6100],1,0.436,0.593,2,0.45,1,0,0,1,0,5,0,-1,280.45,0,509.29,451.431,57.858,0,0,947.918,1,2,0,0.003927,0.9163204,28.571,7.955,11.765,3.67,4.495,-3.998,-4.026,-1.079,709.298,-0.197,434.061,-2.106,0,0,1,0.447,3,100,0,0,37.765,2,0,0,9,0,9,9,20,0.220843419947319,0.06,[0.01:0.13],1,0.337,0.669,19.62,[10.12:38.66],1,0.226,0.504,-4.8,[-5.14:-4.46],1,0.241,0.509,-10.82,[-10.96:-10.64],0,0.258,0.638,1.84,[1.6:2.08],1,0.619,0.738,0.81,[0.3:1.34],0,0.239,0.463,1,1,0.464415920419734,0.53849501684847,0.43,[0.04:0.84],1,0.353,0.54,2.72,[2.09:3.35],1,0.43,0.513,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,5,2,1,1,37.3,79.187,0.534,1.609420652,0.919710667,3.53415307418506,1.931218512,0.932527188
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O=C(O)CCC[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)CC(C)C,"hydrindane,Custom_43,Custom_8",10957,"hydrindane,Custom_43,Custom_8",0,1,0.277,0.625,1,1,0.445,0.571,1,1,0.319,0.536,0,1,0.494,0.619,0,1,0.483,0.648,1,1,0.392,0.535,0,1,4,5,6232,[3500:11000],1,0.507,0.714,2,0.47368421,1,0,0,1,0,6,0,-1,266.423,0,547.099,438.944,108.155,0,0,975.56,1,2,0,0.0036556,0.8694975,29.035,8.33,12.291,3.883,4.315,-4.525,-3.738,-1.836,236.517,-0.752,132.436,-2.937,0,0,1,0.473,3,94.699,0,0,50.946,2,0,0,9,0,9,9,19,0.00921041267692288,0.02,[0.01:0.03],1,0.34,0.742,19.58,[10.12:38.71],1,0.246,0.51,-4.81,[-5.15:-4.47],1,0.236,0.506,-10.82,[-10.97:-10.65],1,0.293,0.663,1.82,[1.56:2.08],1,0.488,0.682,0.86,[0.38:1.34],0,0.22,0.483,1,1,0.487495098025043,0.589239051825048,0.19,[-0.12:0.5],1,0.346,0.568,2.98,[2.12:3.84],1,0.421,0.44,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,6,2,1,1,37.3,72.1489,0.613,1.624709484,0.918686155,3.79462744466451,1.949404529,0.934024125
O=C(O)CCC[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)C(C)(C)C,"hydrindane,Custom_43,Custom_9",10958,"hydrindane,Custom_43,Custom_9",1,1,0.262,0.494,1,1,0.419,0.517,1,1,0.237,0.516,0,1,0.524,0.647,0,1,0.422,0.627,0,1,0.398,0.628,0,1,3,5,3681,[2100:6500],1,0.454,0.598,2,0.47368421,0,0,0,1,0,5,0,-1,266.423,0,539.145,430.922,108.223,0,0,962.517,1,2,0,0.0037096,0.8744433,29.155,8.228,12.417,4.084,4.232,-4.542,-3.738,-1.756,236.17,-0.681,132.226,-3.034,0,0,1,0.48,3,94.2,0,0,50.879,2,0,0,9,0,9,9,19,0.00707247439690622,0.02,[0.01:0.03],1,0.331,0.735,19.65,[10.12:38.73],1,0.237,0.507,-4.81,[-5.14:-4.48],1,0.232,0.507,-10.82,[-10.96:-10.65],1,0.274,0.645,1.83,[1.58:2.08],1,0.576,0.717,0.86,[0.38:1.34],0,0.213,0.481,1,1,0.473769374951676,0.582376190288365,0.43,[0.04:0.85],1,0.353,0.539,3.24,[2.53:3.95],1,0.431,0.515,266.2245802,49,19,17,2,0,0,2,0,0.941176470588235,5,2,1,1,37.3,72.1425,0.573,1.624709484,0.918686155,3.56596581744667,1.949404529,0.934024125
O=C(O)CCC[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)CCCCC,"hydrindane,Custom_43,Custom_10",10959,"hydrindane,Custom_43,Custom_10",0,1,0.32,0.649,1,1,0.439,0.568,1,1,0.317,0.549,0,1,0.541,0.613,0,1,0.45,0.651,1,1,0.413,0.53,0,1,3,5,4417,[2500:7900],1,0.518,0.471,2,0.45,1,0,0,1,0,8,0,-1,280.45,0,592.572,484.2,108.372,0,0,1050.297,1,2,0,0.0033751,0.8432677,30.742,8.96,12.619,3.552,4.789,-5.033,-4.026,-2.261,235.402,-0.935,131.761,-2.749,0,0,1,0.593,3,100,0,0,50.856,2,0,0,9,0,9,9,20,0.00464009051172383,0.02,[0:0.04],1,0.365,0.758,19.68,[10.12:38.64],1,0.238,0.509,-4.92,[-5.28:-4.56],1,0.224,0.489,-10.82,[-10.97:-10.65],1,0.292,0.662,1.82,[1.56:2.08],1,0.385,0.654,1.08,[0.56:1.6],0,0.215,0.433,1,1,0.465550715406777,0.578266860515915,0.15,[-0.24:0.54],1,0.347,0.543,3.14,[2.24:4.04],1,0.437,0.408,280.240230264001,52,20,18,2,0,0,2,0,0.944444444444444,8,2,1,1,37.3,72.101,0.652,1.609420652,0.919710667,3.64512739925839,1.931218512,0.932527188
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O=C(O)CCC[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)CCCCCC,"hydrindane,Custom_43,Custom_17",10966,"hydrindane,Custom_43,Custom_17",0,1,0.313,0.645,1,1,0.434,0.564,1,1,0.35,0.588,0,1,0.54,0.625,0,1,0.491,0.639,1,1,0.416,0.52,0,1,3,5,3666,[2100:6500],1,0.427,0.454,2,0.42857143,1,0,0,1,0,9,0,-2,294.476,0,623.274,514.901,108.373,0,0,1107.426,1,2,0,0.0032089,0.8305435,32.386,9.485,13.082,3.406,5.154,-5.435,-4.316,-2.466,235.394,-1.026,131.757,-2.653,0,0,1,0.709,3,86.616,0,0,50.857,2,1,0,9,0,9,9,21,0.00240609072224559,0.02,[0:0.04],1,0.373,0.761,30.24,[10.5:77.77],1,0.228,0.441,-4.93,[-5.29:-4.57],1,0.214,0.485,-10.82,[-10.96:-10.65],1,0.278,0.646,1.82,[1.56:2.08],1,0.354,0.643,1.08,[0.56:1.6],0,0.214,0.432,1,1,0.457715977134278,0.574349491379665,0.15,[-0.24:0.54],1,0.328,0.537,3.53,[2.33:4.73],1,0.42,0.333,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,9,2,1,1,37.3,75.0126,0.652,1.609420652,0.919710667,3.5641924606262,1.931218512,0.932527188
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O=C(O)CCC[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)C[C@@H](C)CCC,"hydrindane,Custom_43,Custom_19",10968,"hydrindane,Custom_43,Custom_19",0,1,0.312,0.644,1,1,0.433,0.564,1,1,0.342,0.598,1,1,0.88,0.732,1,1,0.487,0.639,1,1,0.407,0.576,0,1,3,5,4394,[2500:7800],1,0.494,0.473,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,602.322,494.167,108.155,0,0,1083.075,1,2,0,0.0033205,0.8467887,32.054,9.277,13.169,3.574,5.002,-5.212,-4.316,-2.204,236.517,-0.924,132.436,-2.745,0,0,1,0.686,3,85.76,0,0,50.946,2,1,0,9,0,9,9,21,0.00325389449660703,0.03,[0.02:0.04],1,0.345,0.754,30.24,[10.5:77.79],1,0.226,0.44,-4.93,[-5.29:-4.57],1,0.216,0.486,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.419,0.667,0.86,[0.38:1.34],0,0.212,0.48,1,1,0.468636285581536,0.579809645603294,0.31,[-0.23:0.85],1,0.329,0.502,3.43,[2.23:4.63],1,0.428,0.336,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,79.6785,0.613,1.609420652,0.919710667,3.64286005258449,1.931218512,0.932527188
O=C(O)CCC[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)CC[C@H](C)CC,"hydrindane,Custom_43,Custom_20",10969,"hydrindane,Custom_43,Custom_20",0,1,0.309,0.644,1,1,0.433,0.564,1,1,0.347,0.615,1,1,0.535,0.581,0,1,0.444,0.638,1,1,0.42,0.556,0,1,3,5,4394,[2500:7800],1,0.439,0.459,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,593.897,500.492,93.405,0,0,1077.015,1,2,0,0.0033676,0.8555951,31.811,9.136,12.934,3.454,5.066,-5.057,-4.316,-2.061,326.394,-0.769,187.586,-2.473,0,0,1,0.67,3,88.642,0,0,48.065,2,1,0,9,0,9,9,21,0.00869367457145595,0.03,[0.02:0.04],1,0.337,0.752,30.32,[10.5:77.9],1,0.225,0.44,-4.93,[-5.29:-4.57],1,0.215,0.486,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.43,0.671,1.08,[0.56:1.6],0,0.212,0.432,1,1,0.472984220843596,0.581983613234325,0.31,[-0.23:0.85],1,0.329,0.502,3.43,[2.23:4.63],1,0.429,0.336,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,79.2649,0.613,1.609420652,0.919710667,3.64286005258449,1.931218512,0.932527188
O=C(O)CCC[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)CCCC(C)C,"hydrindane,Custom_43,Custom_21",10970,"hydrindane,Custom_43,Custom_21",0,1,0.276,0.626,1,1,0.433,0.564,1,1,0.346,0.587,1,1,0.584,0.589,0,1,0.485,0.636,1,1,0.412,0.579,0,1,3,5,4395,[2500:7800],1,0.446,0.461,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,612.206,503.984,108.223,0,0,1094.872,1,2,0,0.0032669,0.8391561,32.526,9.376,13.266,3.598,5.076,-5.394,-4.316,-2.327,236.17,-0.943,132.226,-2.746,0,0,1,0.717,3,86.183,0,0,50.879,2,1,0,9,0,9,9,21,0.00213413544145042,0.06,[0.01:0.13],1,0.326,0.675,30.28,[10.5:77.81],1,0.226,0.44,-4.93,[-5.29:-4.57],1,0.215,0.486,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.452,0.68,1.08,[0.56:1.6],0,0.211,0.431,1,1,0.474441811214012,0.582712408419532,0.15,[-0.24:0.54],1,0.334,0.539,3.44,[2.24:4.64],1,0.427,0.334,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,79.0987,0.613,1.609420652,0.919710667,3.64295887940979,1.931218512,0.932527188
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O=C(O)CCC[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)C[C@@H](C)C(C)C,"hydrindane,Custom_43,Custom_23",10972,"hydrindane,Custom_43,Custom_23",0,1,0.307,0.643,1,1,0.433,0.563,1,1,0.347,0.588,1,1,0.567,0.572,0,1,0.442,0.638,1,1,0.421,0.557,0,1,3,5,3632,[2000:6500],1,0.501,0.481,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,590.345,482.189,108.155,0,0,1069.749,1,2,0,0.0033879,0.8568684,32.163,9.175,13.354,3.766,4.918,-5.154,-4.316,-2.041,236.517,-0.84,132.436,-2.841,0,0,1,0.692,3,100,0,0,50.946,2,0,0,9,0,9,9,21,0.00297740712437782,0.06,[0.01:0.13],1,0.332,0.676,16.31,[3:36.23],1,0.223,0.461,-4.92,[-5.28:-4.56],1,0.217,0.487,-10.82,[-10.96:-10.64],0,0.257,0.638,1.82,[1.57:2.07],1,0.461,0.683,0.86,[0.38:1.34],0,0.214,0.481,1,1,0.47487668015929,0.582929842892171,0.43,[0.04:0.84],1,0.322,0.531,3.26,[2.17:4.35],1,0.428,0.355,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,80.6842,0.574,1.609420652,0.919710667,3.56014583984905,1.931218512,0.932527188
O=C(O)CCC[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)C(C)(C)CCC,"hydrindane,Custom_43,Custom_24",10973,"hydrindane,Custom_43,Custom_24",1,1,0.295,0.539,1,1,0.444,0.53,1,1,0.264,0.528,1,1,0.442,0.681,1,1,0.477,0.644,1,1,0.407,0.626,0,1,3,5,3576,[2000:6400],1,0.493,0.716,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,587.701,479.329,108.372,0,0,1059.41,1,2,0,0.0034031,0.8551678,31.749,9.075,13.176,3.761,4.849,-5.106,-4.316,-2.068,235.402,-0.846,131.761,-2.845,0,0,1,0.663,3,100,0,0,50.856,2,0,0,9,0,9,9,21,0.0032992964210716,0.06,[0.01:0.13],1,0.338,0.676,16.16,[3:36.08],1,0.217,0.459,-4.93,[-5.29:-4.57],1,0.214,0.485,-10.82,[-10.96:-10.64],0,0.249,0.635,1.82,[1.57:2.07],1,0.452,0.68,1.06,[0.52:1.6],0,0.209,0.419,1,1,0.450948140297572,0.531761126787389,0.44,[0.04:0.85],1,0.308,0.526,3.27,[2.18:4.36],1,0.419,0.355,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,80.3161,0.573,1.609420652,0.919710667,3.55339751012388,1.931218512,0.932527188
O=C(O)CCC[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)CC(C)(C)CC,"hydrindane,Custom_43,Custom_25",10974,"hydrindane,Custom_43,Custom_25",1,1,0.25,0.559,1,1,0.444,0.536,1,1,0.263,0.527,1,1,0.527,0.579,0,1,0.441,0.637,1,1,0.412,0.588,0,1,3,5,3575,[2000:6400],1,0.491,0.717,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,561.006,452.851,108.155,0,0,1040.903,1,2,0,0.003565,0.8853963,31.008,9.003,13.205,3.695,4.737,-4.616,-4.316,-1.579,236.517,-0.778,132.436,-2.841,0,0,1,0.616,3,100,0,0,50.946,2,0,0,9,0,9,9,21,0.0102823271918119,0.12,[0.01:0.25],1,0.319,0.571,16.25,[3:36.17],1,0.219,0.46,-4.93,[-5.29:-4.57],1,0.215,0.486,-10.82,[-10.96:-10.64],0,0.249,0.635,1.95,[1.77:2.13],1,0.492,0.716,0.86,[0.38:1.34],0,0.215,0.481,1,1,0.466608212051804,0.578795608838428,0.43,[0.04:0.84],1,0.322,0.531,3.27,[2.18:4.36],1,0.421,0.354,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,81.7455,0.573,1.609420652,0.919710667,3.5532760461371,1.931218512,0.932527188
O=C(O)CCC[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)CCC(C)(C)C,"hydrindane,Custom_43,Custom_26",10975,"hydrindane,Custom_43,Custom_26",0,1,0.206,0.54,1,1,0.404,0.51,1,1,0.267,0.528,1,1,0.534,0.581,1,1,0.468,0.63,1,1,0.42,0.522,0,1,3,5,3575,[2000:6400],1,0.608,0.743,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,597.827,489.771,108.056,0,0,1079.249,1,2,0,0.0033455,0.8511458,32.543,9.25,13.437,3.783,4.978,-5.292,-4.316,-2.133,237.031,-0.853,132.747,-2.839,0,0,1,0.718,3,100,0,0,50.938,2,0,0,9,0,9,9,21,0.00217829674804377,0.12,[0.01:0.25],1,0.304,0.565,16.28,[3:36.2],1,0.22,0.46,-4.93,[-5.29:-4.57],1,0.215,0.486,-10.82,[-10.96:-10.64],0,0.249,0.635,1.83,[1.58:2.08],1,0.503,0.693,1.08,[0.56:1.6],0,0.214,0.432,1,1,0.475288199211434,0.583135602418243,0.15,[-0.24:0.54],1,0.338,0.541,3.28,[2.18:4.38],1,0.417,0.351,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,81.4597,0.573,1.609420652,0.919710667,3.5532760461371,1.931218512,0.932527188
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O=C(O)CCCC[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)[C@@H](C)CCC,"hydrindane,Custom_47,Custom_11",11060,"hydrindane,Custom_47,Custom_11",0,1,0.303,0.642,1,1,0.433,0.564,1,1,0.345,0.586,1,1,0.58,0.561,0,1,0.572,0.635,1,1,0.423,0.558,0,1,3,5,4400,[2500:7800],1,0.437,0.458,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,602.828,495.506,107.322,0,0,1083.658,1,2,0,0.0033177,0.8463829,32.077,9.276,13.16,3.57,5.011,-5.221,-4.316,-2.21,240.861,-0.917,135.067,-2.729,0,0,1,0.687,3,85.957,0,0,50.539,2,1,0,9,0,9,9,21,0.00329965684489723,0.03,[0.01:0.04],1,0.354,0.754,30.21,[10.5:77.78],1,0.225,0.44,-4.93,[-5.29:-4.57],1,0.216,0.487,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.398,0.659,1.08,[0.56:1.6],0,0.209,0.43,1,1,0.46201298557862,0.576497995601836,0.45,[0.04:0.86],1,0.325,0.533,3.44,[2.24:4.64],1,0.431,0.337,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,77.7247,0.613,1.609420652,0.919710667,3.64345267648619,1.931218512,0.932527188
O=C(O)CCCC[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)C[C@H](C)CC,"hydrindane,Custom_47,Custom_12",11061,"hydrindane,Custom_47,Custom_12",0,1,0.311,0.644,1,1,0.433,0.564,1,1,0.344,0.585,1,1,0.575,0.6,0,1,0.448,0.62,1,1,0.434,0.524,0,1,3,5,4400,[2500:7800],1,0.445,0.46,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,602.012,493.944,108.067,0,0,1083.537,1,2,0,0.0033222,0.8474669,32.072,9.282,13.183,3.573,5.005,-5.206,-4.316,-2.193,236.972,-0.922,132.712,-2.743,0,0,1,0.687,3,85.797,0,0,50.879,2,1,0,9,0,9,9,21,0.00330933825958648,0.03,[0.01:0.04],1,0.358,0.756,30.24,[10.5:77.78],1,0.226,0.44,-4.92,[-5.28:-4.56],1,0.216,0.487,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.387,0.655,0.86,[0.38:1.34],0,0.212,0.48,1,1,0.467208999761858,0.579096002693455,0.44,[0.04:0.85],1,0.33,0.535,3.44,[2.24:4.64],1,0.43,0.336,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,78.1383,0.613,1.609420652,0.919710667,3.64345267648619,1.931218512,0.932527188
O=C(O)CCCC[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)CCC(C)C,"hydrindane,Custom_47,Custom_13",11062,"hydrindane,Custom_47,Custom_13",0,1,0.274,0.593,1,1,0.433,0.564,1,1,0.349,0.59,1,1,0.538,0.583,0,1,0.441,0.617,1,1,0.436,0.515,0,1,3,5,4401,[2500:7800],1,0.451,0.461,2,0.42857143,1,0,0,1,0,8,0,-1,294.476,0,613.058,505.736,107.322,0,0,1094.189,1,2,0,0.0032623,0.8376423,32.499,9.36,13.222,3.594,5.077,-5.41,-4.316,-2.352,240.862,-0.938,135.068,-2.729,0,0,1,0.715,3,86.345,0,0,50.54,2,1,0,9,0,9,9,21,0.00213867305399965,0.06,[0.01:0.13],1,0.326,0.675,30.25,[10.5:77.77],1,0.226,0.44,-4.92,[-5.28:-4.56],1,0.215,0.487,-10.82,[-10.96:-10.65],0,0.265,0.641,1.82,[1.57:2.07],1,0.452,0.68,1.08,[0.56:1.6],0,0.212,0.432,1,1,0.470776476502413,0.580879741063733,0.16,[-0.24:0.56],1,0.337,0.539,3.44,[2.24:4.64],1,0.427,0.334,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,8,2,1,1,37.3,79.0987,0.613,1.609420652,0.919710667,3.64355136856294,1.931218512,0.932527188
O=C(O)CCCC[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)[C@@H](C)C(C)C,"hydrindane,Custom_47,Custom_14",11063,"hydrindane,Custom_47,Custom_14",0,1,0.59,0.757,1,1,0.353,0.523,1,1,0.342,0.582,1,1,0.569,0.556,0,1,0.529,0.619,1,1,0.421,0.562,0,1,3,5,3634,[2000:6500],1,0.425,0.462,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,597.318,489.161,108.158,0,0,1071.444,1,2,0,0.0033483,0.8477586,32.23,9.17,13.277,3.783,4.927,-5.283,-4.316,-2.188,236.504,-0.862,132.429,-2.841,0,0,1,0.695,3,100,0,0,50.947,2,0,0,9,0,9,9,21,0.00221611477712121,0.06,[0.01:0.13],1,0.342,0.681,16.28,[3:36.19],1,0.223,0.461,-4.92,[-5.28:-4.56],1,0.216,0.487,-10.82,[-10.96:-10.64],0,0.257,0.638,1.82,[1.57:2.07],1,0.439,0.675,1.06,[0.52:1.6],0,0.21,0.42,1,1,0.461977954446399,0.576480480035726,0.44,[0.04:0.85],1,0.316,0.53,3.36,[2.17:4.55],1,0.43,0.34,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,78.7304,0.574,1.609420652,0.919710667,3.56038492297202,1.931218512,0.932527188
O=C(O)CCCC[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)CC(C)(C)C,"hydrindane,Custom_47,Custom_15",11064,"hydrindane,Custom_47,Custom_15",0,1,0.497,0.749,1,1,0.364,0.496,1,1,0.261,0.526,1,1,0.571,0.613,0,1,0.808,0.814,1,1,0.569,0.618,0,1,3,5,3573,[2000:6400],1,0.608,0.741,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,568.484,460.328,108.157,0,0,1048.192,1,2,0,0.0035181,0.8778237,31.3,9.041,13.242,3.713,4.783,-4.753,-4.316,-1.701,236.511,-0.794,132.432,-2.841,0,0,1,0.635,3,100,0,0,50.947,2,0,0,9,0,9,9,21,0.00749974214362653,0.06,[0.01:0.13],1,0.312,0.664,16.28,[3:36.19],1,0.221,0.46,-4.93,[-5.29:-4.57],1,0.215,0.486,-10.82,[-10.96:-10.64],0,0.248,0.635,1.95,[1.77:2.13],1,0.495,0.717,0.86,[0.38:1.34],0,0.213,0.481,1,1,0.463379853449028,0.57718142953704,0.44,[0.04:0.85],1,0.338,0.537,3.28,[2.18:4.38],1,0.418,0.35,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,79.8087,0.573,1.609420652,0.919710667,3.55303301620244,1.931218512,0.932527188
O=C(O)CCCC[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)C(C)(C)CC,"hydrindane,Custom_47,Custom_16",11065,"hydrindane,Custom_47,Custom_16",1,1,0.262,0.438,1,1,0.404,0.516,1,1,0.262,0.527,0,1,0.779,0.798,1,1,0.439,0.612,1,1,0.418,0.57,0,1,3,5,3573,[2000:6400],1,0.511,0.734,2,0.42857143,1,0,0,1,0,7,0,-1,294.476,0,588.038,479.88,108.158,0,0,1060.035,1,2,0,0.0034011,0.855014,31.774,9.079,13.18,3.76,4.855,-5.112,-4.316,-2.071,236.504,-0.845,132.429,-2.841,0,0,1,0.665,3,100,0,0,50.947,2,0,0,9,0,9,9,21,0.00328228901975034,0.06,[0.01:0.13],1,0.331,0.674,16.18,[3:36.09],1,0.218,0.459,-4.92,[-5.28:-4.56],1,0.212,0.486,-10.82,[-10.96:-10.64],0,0.248,0.635,1.82,[1.57:2.07],1,0.463,0.684,1.06,[0.52:1.6],0,0.207,0.419,1,1,0.453273615796212,0.532923864536709,0.45,[0.04:0.86],1,0.308,0.527,3.37,[2.18:4.56],1,0.425,0.34,294.255880328001,55,21,19,2,0,0,2,0,0.947368421052632,7,2,1,1,37.3,79.9025,0.573,1.609420652,0.919710667,3.55303301620244,1.931218512,0.932527188
O=C(O)CCCC[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)CCCCCC,"hydrindane,Custom_47,Custom_17",11066,"hydrindane,Custom_47,Custom_17",0,1,0.303,0.641,1,1,0.429,0.561,1,1,0.341,0.587,0,1,0.542,0.611,0,1,0.57,0.626,1,1,0.434,0.524,0,1,3,5,4111,[2300:7300],1,0.401,0.501,2,0.40909091,1,0,0,1,0,10,0,-2,308.503,0,649.148,541.081,108.067,0,0,1158.688,1,2,0,0.003081,0.821862,33.796,9.966,13.49,3.245,5.485,-5.75,-4.606,-2.607,236.972,-1.106,132.712,-2.551,0,0,1,0.81,3,88.605,0,0,50.879,2,1,1,9,0,9,9,22,0.00154327210554155,0.03,[0.01:0.04],1,0.371,0.761,16.38,[3:36.22],1,0.218,0.46,-4.94,[-5.3:-4.58],1,0.203,0.483,-10.82,[-10.96:-10.65],0,0.266,0.642,1.82,[1.56:2.08],1,0.322,0.632,1.09,[0.57:1.61],0,0.21,0.43,1,1,0.446994708450876,0.568988857037964,0.09,[-0.33:0.51],1,0.308,0.534,4.11,[3.03:5],1,0.408,0.356,308.271530392001,58,22,20,2,0,0,2,0,0.95,10,2,1,1,37.3,77.9242,0.652,1.609420652,0.919710667,3.61394747678035,1.931218512,0.932527188
O=C(O)CCCC[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)[C@H](C)CCCC,"hydrindane,Custom_47,Custom_18",11067,"hydrindane,Custom_47,Custom_18",0,1,0.295,0.638,1,1,0.429,0.56,1,1,0.378,0.636,1,1,0.883,0.712,1,1,0.57,0.646,1,1,0.432,0.565,0,1,4,5,5291,[3000:9400],1,0.351,0.441,2,0.40909091,1,0,0,1,0,9,0,-2,308.503,0,634.486,527.164,107.322,0,0,1142.091,1,2,0,0.0031522,0.8328052,33.774,9.808,13.635,3.425,5.385,-5.642,-4.606,-2.43,240.861,-1.011,135.067,-2.633,0,0,1,0.807,3,88.146,0,0,50.539,2,1,0,9,0,9,9,22,0.00163721370094595,0.03,[0.01:0.04],1,0.352,0.754,16.24,[3:36.09],1,0.216,0.459,-4.94,[-5.3:-4.58],1,0.206,0.484,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.357,0.645,1.08,[0.56:1.6],0,0.206,0.429,1,1,0.453636159565691,0.572309582595372,0.33,[-0.22:0.88],1,0.301,0.492,4.1,[2.97:5],1,0.416,0.355,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,80.6363,0.613,1.609420652,0.919710667,3.72353776153206,1.931218512,0.932527188
O=C(O)CCCC[C@H]1CC[C@@H]([C@H]12)CC[C@@H](C2)C[C@@H](C)CCC,"hydrindane,Custom_47,Custom_19",11068,"hydrindane,Custom_47,Custom_19",0,1,0.264,0.586,1,1,0.429,0.56,1,1,0.334,0.583,1,1,0.882,0.732,0,1,0.567,0.642,1,1,0.422,0.524,0,1,4,5,5292,[3000:9400],1,0.415,0.46,2,0.40909091,1,0,0,1,0,9,0,-2,308.503,0,632.842,525.52,107.322,0,0,1139.729,1,2,0,0.0031603,0.8338176,33.679,9.786,13.611,3.421,5.37,-5.611,-4.606,-2.413,240.862,-1.008,135.068,-2.633,0,0,1,0.801,3,88.058,0,0,50.54,2,1,0,9,0,9,9,22,0.00175570368809474,0.06,[0.01:0.12],1,0.345,0.684,16.29,[3:36.14],1,0.216,0.459,-4.94,[-5.3:-4.58],1,0.206,0.483,-10.82,[-10.96:-10.64],0,0.253,0.636,1.82,[1.57:2.07],1,0.372,0.651,1.06,[0.52:1.6],0,0.208,0.419,1,1,0.457415149485548,0.5741990775553,0.32,[-0.23:0.87],1,0.307,0.494,4.04,[2.93:5],1,0.414,0.35,308.271530392001,58,22,20,2,0,0,2,0,0.95,9,2,1,1,37.3,82.5901,0.613,1.609420652,0.919710667,3.72361983551546,1.931218512,0.932527188
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O=C(O)CCC[C@H](C1)C[C@H]2CCC[C@H]3CC[C@@H]([C@@H]1[C@H]23)C[C@@H](C)CCC,"phenalene,Custom_43,Custom_19",11343,"phenalene,Custom_43,Custom_19",1,0,0.208,0.499,1,1,0.275,0.561,1,0,0.193,0.501,1,1,0.45,0.615,1,1,0.487,0.628,1,1,0.75,0.792,0,1,4,5,5265,[3000:9400],1,0.29,0.432,3,0.52,2,0,0,1,0,8,0,-1,348.568,0,687.723,579.738,107.985,0,0,1256.522,1,2,0,0.0029081,0.8188389,38.995,10.884,15.544,3.779,6.116,-6.789,-5.419,-2.656,237.398,-0.992,132.97,-2.742,0,0,1,1.171,1,92.315,0,0,50.881,2,1,1,13,0,13,13,25,0.000102721134557526,0.13,[0.01:0.26],1,0.329,0.566,10.44,[3:24.22],0,0.181,0.478,-5.04,[-5.28:-4.8],1,0.182,0.526,-10.82,[-10.96:-10.64],0,0.221,0.624,1.82,[1.56:2.08],0,0.289,0.622,2.18,[1.75:2.55],0,0.158,0.465,1,1,0.419930251014228,0.516252182145717,0.48,[0.03:1.09],1,0.225,0.465,4.86,[4.27:5.35],1,0.351,0.481,348.302830520001,65,25,23,2,0,0,3,0,0.956521739130435,8,2,1,1,37.3,94.6584,0.685,1.592825814,0.9138387,3.72139837552151,1.936060082,0.923418272
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[C@@H]12[C@@H]3C[C@@H]([C@@H](C)C(=O)O)C[C@H]1CCC[C@H]2C[C@H](C3)C[C@H](C)CCC,"phenalene,,Custom_19",11693,"phenalene,,Custom_19",1,0,0.172,0.498,1,1,0.235,0.542,1,0,0.248,0.529,1,1,0.452,0.617,1,1,0.444,0.594,1,1,0.417,0.58,0,1,3,5,3427,[1900:6100],1,0.407,0.695,3,0.54166667,1,0,0,1,0,6,0,-1,334.541,0,650.816,563.316,87.5,0,0,1192.219,1,2,0,0.0030731,0.8354958,37.706,10.137,14.972,3.992,5.846,-6.432,-5.127,-2.386,371.314,-0.634,215.64,-2.556,0,0,1,1.077,1,94.208,0,0,45.556,2,1,1,13,0,13,13,24,0.000344070127798341,0.13,[0.01:0.26],1,0.34,0.576,15.95,[3:35.32],0,0.187,0.453,-4.94,[-5.3:-4.57],1,0.203,0.477,-10.82,[-10.96:-10.64],0,0.227,0.626,1.82,[1.57:2.07],1,0.333,0.637,2.13,[1.73:2.53],0,0.172,0.483,0,1,0.428019956435201,0.520297034856204,0.52,[0.03:1.13],0,0.236,0.458,4.8,[4.26:5.34],1,0.312,0.488,334.287180456001,62,24,22,2,0,0,3,0,0.954545454545455,6,2,1,1,37.3,92.0999,0.646,1.607726188,0.913633002,3.53491410442987,1.934944134,0.921314832
[C@@H]12[C@@H]3C[C@@H]([C@@H](C)C(=O)O)C[C@H]1CCC[C@H]2C[C@H](C3)CC[C@@H](C)CC,"phenalene,,Custom_20",11694,"phenalene,,Custom_20",1,0,0.214,0.529,1,1,0.275,0.562,1,0,0.248,0.529,1,1,0.458,0.673,0,1,0.454,0.688,1,1,0.474,0.652,0,1,3,5,3427,[1900:6100],1,0.347,0.689,3,0.54166667,1,0,0,1,0,6,0,-1,334.541,0,653.604,566.104,87.5,0,0,1194.297,1,2,0,0.00306,0.8328981,37.789,10.155,14.972,3.998,5.859,-6.483,-5.127,-2.428,371.314,-0.639,215.64,-2.556,0,0,1,1.082,1,94.284,0,0,45.556,2,1,1,13,0,13,13,24,0.000305579685982155,0.13,[0.01:0.26],1,0.341,0.576,15.94,[3:35.31],0,0.187,0.454,-4.94,[-5.3:-4.57],1,0.203,0.477,-10.82,[-10.96:-10.64],0,0.227,0.626,1.82,[1.57:2.07],1,0.34,0.639,2.19,[1.76:2.55],0,0.174,0.47,0,1,0.432257156792663,0.522415635034935,0.29,[0.03:0.56],0,0.235,0.562,4.8,[4.26:5.34],1,0.318,0.49,334.287180456001,62,24,22,2,0,0,3,0,0.954545454545455,6,2,1,1,37.3,91.6863,0.646,1.607726188,0.913633002,3.53491410442987,1.934944134,0.921314832
[C@@H]12[C@@H]3C[C@@H]([C@@H](C)C(=O)O)C[C@H]1CCC[C@H]2C[C@H](C3)CCCC(C)C,"phenalene,,Custom_21",11695,"phenalene,,Custom_21",1,0,0.172,0.499,1,1,0.235,0.542,1,0,0.25,0.529,1,1,0.453,0.674,0,1,0.449,0.641,1,1,0.467,0.65,0,1,3,5,3427,[1900:6100],1,0.341,0.69,3,0.54166667,1,0,0,1,0,6,0,-1,334.541,0,659.473,572.521,86.952,0,0,1201.785,1,2,0,0.0030327,0.8289331,38.089,10.221,15.03,4.009,5.91,-6.592,-5.127,-2.493,375.781,-0.642,218.445,-2.546,0,0,1,1.103,1,94.678,0,0,45.343,2,1,1,13,0,13,13,24,0.000243628469098275,0.13,[0.01:0.27],1,0.342,0.565,15.94,[3:35.29],0,0.187,0.454,-4.94,[-5.3:-4.57],1,0.202,0.477,-10.82,[-10.96:-10.64],0,0.227,0.626,1.82,[1.57:2.07],1,0.353,0.644,2.19,[1.76:2.55],0,0.173,0.47,0,1,0.434503763060235,0.523538938168721,0.29,[0.03:0.56],1,0.241,0.564,4.8,[4.26:5.34],1,0.321,0.491,334.287180456001,62,24,22,2,0,0,3,0,0.954545454545455,6,2,1,1,37.3,91.5201,0.646,1.607726188,0.913633002,3.53491410442987,1.934944134,0.921314832
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[C@@H]12[C@@H]3C[C@@H]([C@@H](C)C(=O)O)C[C@H]1CCC[C@H]2C[C@H](C3)C[C@H](C)C(C)C,"phenalene,,Custom_23",11697,"phenalene,,Custom_23",1,0,0.213,0.528,1,1,0.275,0.562,1,0,0.252,0.53,1,1,0.457,0.674,0,1,0.455,0.689,1,1,0.474,0.654,0,1,3,5,3575,[2000:6400],1,0.35,0.677,3,0.54166667,0,0,0,1,0,5,0,-1,334.541,0,639.345,551.845,87.5,0,0,1178.803,1,2,0,0.0031282,0.8440942,37.811,10.018,15.147,4.185,5.761,-6.383,-5.127,-2.247,371.314,-0.557,215.64,-2.652,0,0,1,1.082,1,93.71,0,0,45.556,2,1,1,13,0,13,13,24,0.000308819623456336,0.12,[0.01:0.26],1,0.347,0.565,15.98,[3:35.43],0,0.185,0.452,-4.94,[-5.3:-4.57],1,0.204,0.477,-10.82,[-10.96:-10.64],0,0.223,0.625,1.82,[1.57:2.07],1,0.357,0.646,2.13,[1.73:2.53],0,0.174,0.483,0,1,0.423981038864737,0.493744682880514,0.83,[0.03:1.78],0,0.232,0.361,4.8,[4.26:5.34],1,0.294,0.483,334.287180456001,62,24,22,2,0,0,3,0,0.954545454545455,5,2,1,1,37.3,93.1056,0.607,1.607726188,0.913633002,3.5532760461371,1.934944134,0.921314832
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O=C(O)CCC[C@H](C1)C[C@H]2CCC[C@H]3C[C@@H]([C@@H](C)C(C)C)C[C@@H]1[C@H]23,"phenalene,Custom_43,Custom_14",11713,"phenalene,Custom_43,Custom_14",1,0,0.213,0.528,1,1,0.275,0.562,1,0,0.243,0.529,1,1,0.454,0.661,1,1,0.494,0.64,1,1,0.46,0.64,0,1,3,5,3413,[1900:6100],1,0.325,0.675,3,0.54166667,0,0,0,1,0,6,0,-1,334.541,0,651.378,543.155,108.223,0,0,1188.299,1,2,0,0.0030704,0.832944,37.549,10.246,15.216,4.134,5.677,-6.442,-5.127,-2.428,236.167,-0.838,132.225,-2.938,0,0,1,1.065,1,89.701,0,0,50.88,2,1,1,13,0,13,13,24,0.000139419572954097,0.13,[0.01:0.26],1,0.338,0.569,10.41,[3:24.11],0,0.186,0.48,-5.03,[-5.27:-4.79],1,0.19,0.529,-10.82,[-10.96:-10.64],0,0.225,0.626,1.82,[1.57:2.07],1,0.334,0.638,2.18,[1.75:2.55],0,0.16,0.465,0,1,0.425599781163674,0.494554054029983,0.86,[0.03:1.82],0,0.231,0.36,4.8,[4.26:5.34],1,0.321,0.491,334.287180456001,62,24,22,2,0,0,3,0,0.954545454545455,6,2,1,1,37.3,90.7987,0.646,1.607726188,0.913633002,3.53313628827864,1.934944134,0.921314832
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