Compound no,Tambjamine substituent,Compound classification group,Initial Training set,R-substituent,Ring-substituent,Enamine Substituent,R-type,grouping - enamine/ring,Hammet constant (p),EC50 (%),Log(1/EC50),n,n-sq,Kini,Kini/n,1/Kini,Log(1/Kini),n*Log (1/Kini),Log (1/Kini)/n,Retention time,Retention time-sq,TorchLiteSlogP,TorchLiteSlogP-sq,ALOGPs,ALOGPs-sq,miLOGP,miLOGP 2,AC LogP,AC LogP-sq,ALOGP,ALOGP-sq,MLOGP,MLOGP-sq,KOWWIN,KOWWIN-sq,XLOGP2,XLOGP2-sq,XLOGP3,XLOGP3-sq,Average LogP,Average LogP-sq,Polarizability,Isoelectric point,Log P,Polar surface area,Molecular surface area,pKa (NH pirrol 1),pKa (NH azafulveno),Dreiding energy (Kcal/mol),Volume (A3),Minimal projection area,Min z length,Maximal projection area,Max z length,Molar refractivity (cm3),Molec Volume (cm3),Parachor (cm3),Index refractation,Surface tension (dyne/cm),Density (g/cm3),Polarizability (cm3),No. of Hydrogen Bond Acceptors,TPSA,No. Of Rotatable Bonds,Boiling Point (ºC),Vapor Pressure (mmHg),Enthalpy of Vaporization deltavapH(Tboiling point) (KJ/mol),LogP (AB/LogP v2.0),LogP (ACD/Labs),LogD (pH 1.7) stomach,LogD (pH 4.6) duodenum,LogD (pH 6.5) Jejunum & Ileum,LogD (pH 7.2) blood,LogD (pH 7.4) blood,LogD (pH 8) colon,pKa (azafulveno NH),Log Sw (AB/logSw 2.0),logS (pH 1.7),logS (pH 4.6),logS (pH 6.5),logS (pH 7.2),logS (pH 7.4),logS (pH 8),Vx,Log PS,Fraction unbound in plasma,Log BB,%PPB,Log Ka (HSA),Volumen of distribution (Vd) (L/Kg),MW,AMW,Sv,Se,Sp,Ss,Mv,Me,Mp,Ms,nAT,nSK,nBT,nBO,nBM,SCBO,ARR,nCIC,nCIR,RBN,RBF,nAB,nH,nC,nO,nR06,nBnz,ZM1,ZM1V,ZM2,ZM2V,Qindex,SNar,HNar,GNar,Xt,Dz,Ram,Pol,LPRS,VDA,MSD,SMTI,SMTIV,GMTI,GMTIV,Xu,SPI,W,WA,Har,Har2,QW,TI1,TI2,STN,HyDp,RHyDp,w,ww,Rww,D/D,Wap,WhetZ,Whetm,Whetv,Whete,Whetp,J,JhetZ,Jhetm,Jhetv,Jhete,Jhetp,MAXDN,MAXDP,DELS,TIE,S0K,S1K,S2K,S3K,PHI,BLI,PW2,PW3,PW4,PW5,PJI2,CSI,ECC,AECC,DECC,MDDD,UNIP,CENT,VAR,BAC,Lop,ICR,D/Dr05,GGI1,GGI2,GGI3,GGI4,GGI5,GGI6,GGI7,GGI8,GGI9,GGI10,JGI1,JGI2,JGI3,JGI4,JGI5,JGI6,JGI7,JGI8,JGI9,JGI10,JGT,W3D,J3D,H3D,AGDD,DDI,ADDD,G1,G2,RGyr,SPAN,SPAM,SPH,ASP,FDI,PJI3,L/Bw,SEig,AROM,HOMT,DISPm,QXXm,QYYm,QZZm,DISPv,QXXv,QYYv,QZZv,DISPe,QXXe,QYYe,QZZe,DISPp,QXXp,QYYp,QZZp,L1u,L2u,L3u,P1u,P2u,G1u,G2u,G3u,E1u,E2u,E3u,L1m,L2m,L3m,P1m,P2m,G1m,G2m,G3m,E1m,E2m,E3m,L1v,L2v,L3v,P1v,P2v,G1v,G2v,G3v,E1v,E2v,E3v,L1e,L2e,L3e,P1e,P2e,G1e,G2e,G3e,E1e,E2e,E3e,L1p,L2p,L3p,P1p,P2p,G1p,G2p,G3p,E1p,E2p,E3p,L1s,L2s,L3s,P1s,P2s,G1s,G2s,G3s,E1s,E2s,E3s,Tu,Tm,Tv,Te,Tp,Ts,Au,Am,Av,Ae,Ap,As,Gu,Gm,Gs,Ku,Km,Kv,Ke,Kp,Ks,Du,Dm,Dv,De,Dp,Ds,Vu,Vm,Vv,Ve,Vp,Vs,Ui,Hy,AMR,TPSA(NO),TPSA(Tot)
1,Me,OMe.NH-Ph.Alkyl,Yes,Me,OMe,NH-Ph,alkyl,OMe.NH-Ph,-0.17,0.00719,2.14327111,1.19331,1.423988756,0.95201,0.797789342,1.050409134,0.02135849,0.025487299,0.017898526,10.4,108.16,3.5,12.25,3.08,9.4864,2.47,6.1009,3.35,11.2225,2.6,6.76,2.14,4.5796,4.07,16.5649,3.15,9.9225,2.88,8.2944,5.851888889,34.24460357,31.79,12.13,2.17,49.41,388.05,15.45,8.84,65.14,252.87,39.47,16.51,94.96,6.54,83.42,239.6,609.7,1.613,41.9,1.16,33.07,4,49.41,4,438.45,7e-8,69.52,3.54,2.41,3.53,3.54,3.54,3.54,3.54,3.54,10.53,-3.52,-2.35,-2.35,-2.63,-3.07,-3.23,-3.71,2.19,-1.3,0.04,0.67,82.65,4.29,2.53,279.37,7.35,24.68,37.82,25.8,43.5,0.65,1,0.68,2.07,38,21,40,23,14,31.5,0.478,3,3,4,0.1,11,17,17,1,1,1,108,272,125,294,15,15.603,2,2.102,0.253,44.5,6,27,95.714,97.333,0.274,4463,7029,4627,11091,21.031,8.217,1022,4.867,37.651,68.931,822.4,64.984,4.029,5.011,3827,44.363,1643,8842,17.682,132.377,5681,750.286,750.365,1020.58,752.18,1090.313,1.449,1.973,1.973,1.457,1.968,1.364,0.917,1.884,10.247,22.472,88.239,13.711,6.019,3.086,3.93,0.884,0.571,0.334,0.176,0.09,1,427,198,9.429,1.401,16.857,69,595,73,6,0.741,2.684,121.334,4,2.222,0.819,1.092,0.479,0.262,0.266,0.147,0.085,0.048,0.174,0.072,0.03,0.046,0.022,0.012,0.014,0.01,0.007,0.006,0.392,4279.952,1.872,169.051,225.261,714.669,37.614,27.993,14.092,4.24,7.706,0.45,0.968,0.579,0.995,0.846,5.12,79.421,0.971,13.366,4.149,70.75,351.495,418.027,3.987,86.301,421.615,500.805,0.172,167.281,697.205,846.737,0.23,94.841,452.28,538.791,18.572,4.242,0.243,0.805,0.184,0.174,0.2,0.348,0.567,0.389,0.243,15.033,2.938,0.09,0.832,0.163,0.16,0.214,0.246,0.369,0.182,0.032,16.949,3.345,0.144,0.829,0.164,0.16,0.174,0.237,0.47,0.237,0.083,18.201,4.189,0.235,0.804,0.185,0.16,0.16,0.264,0.544,0.379,0.225,17.374,3.509,0.161,0.826,0.167,0.16,0.16,0.237,0.494,0.262,0.105,14.596,2.764,0.066,0.838,0.159,0.185,0.185,0.244,0.348,0.159,0.017,23.057,18.062,20.438,22.625,21.044,17.426,84.333,45.787,59.613,81.493,64.327,41.494,0.23,0.204,0.203,0.708,0.749,0.744,0.707,0.738,0.756,0.399,0.194,0.264,0.383,0.287,0.175,126.565,67.827,88.206,122.007,95.197,61.595,3.907,0.284,88.376,49.94,49.94
2,Et,OMe.NH-Ph.Alkyl,Yes,Et,OMe,NH-Ph,alkyl,OMe.NH-Ph,-0.15,0.00613,2.212539525,1.23492,1.525027406,1.41056,1.142227837,0.708938294,-0.149391564,-0.18448663,-0.120972666,11,121,3.7,13.69,3.74,13.9876,2.83,8.0089,3.81,14.5161,3.05,9.3025,2.38,5.6644,4.56,20.7936,3.62,13.1044,3.31,10.9561,7.309433333,53.42781565,33.63,12.14,2.61,49.41,417.96,15.45,8.87,160.6,274.94,45.41,17.86,100.06,5.43,88.03,255.7,648.3,1.604,41.3,1.14,34.89,4,49.41,5,447.7,3e-8,70.61,3.99,2.94,3.99,3.99,3.99,3.99,3.99,3.99,10.49,-3.73,-2.68,-2.68,-2.97,-3.43,-3.59,-4.06,2.33,-1.2,0.02,0.85,85.16,4.35,2.76,293.4,7.16,26.28,40.7,27.56,45,0.64,0.99,0.67,2.05,41,22,43,24,14,32.5,0.458,3,3,5,0.116,11,19,18,1,1,1,112,276,130,300,15,16.296,2,2.097,0.248,46.5,6,29,102.489,107.727,0.277,5132,7915,5300,12172,21.995,8.589,1185,5.13,39.449,73.256,952.833,72.012,4.266,5.011,4688,46.585,1845,10118,19.481,149.591,6534,878.464,878.55,1175.065,880.561,1251.813,1.427,1.931,1.931,1.445,1.927,1.356,0.915,1.901,10.885,24.924,94.107,14.668,6.668,3.336,4.446,0.918,0.565,0.34,0.179,0.088,0.857,481,224,10.182,1.488,18.975,77,676,86,9,0.832,2.738,129.802,4,2.222,0.819,1.132,0.542,0.262,0.266,0.147,0.085,0.085,0.167,0.069,0.028,0.044,0.024,0.011,0.013,0.009,0.006,0.008,0.379,5236.628,1.904,190.656,255.445,825.13,40.25,29.417,14.661,4.47,8.553,0.457,0.949,0.617,0.987,0.969,6.12,85.332,0.971,13.366,6.752,73.645,424.724,489.094,6.567,90.825,513.653,589.621,0.208,177.28,864.899,1007.79,0.385,100.023,552.741,635.613,21.205,3.974,0.437,0.828,0.155,0.182,0.157,0.182,0.6,0.369,0.308,17.212,2.812,0.186,0.852,0.139,0.164,0.17,0.176,0.393,0.179,0.051,19.275,3.165,0.282,0.848,0.139,0.164,0.17,0.157,0.493,0.229,0.125,20.827,3.933,0.422,0.827,0.156,0.157,0.157,0.17,0.579,0.361,0.286,19.749,3.312,0.311,0.845,0.142,0.164,0.17,0.176,0.518,0.251,0.153,16.591,2.658,0.148,0.855,0.137,0.183,0.183,0.198,0.365,0.158,0.032,25.617,20.21,22.723,25.183,23.372,19.397,95.283,52.135,67.342,92.377,72.572,46.943,0.173,0.17,0.188,0.742,0.777,0.772,0.741,0.768,0.783,0.425,0.208,0.282,0.409,0.308,0.185,157.745,81.359,107.285,152.163,116.279,72.858,3.907,0.259,92.977,49.94,49.94
3,Pr,OMe.NH-Ph.Alkyl,Yes,Pr,OMe,NH-Ph,alkyl,OMe.NH-Ph,-0.13,0.00699,2.155522824,1.2497,1.56175009,1.24179,0.993670481,0.805289139,-0.094048158,-0.117531983,-0.075256588,11.6,134.56,4.1,16.81,4.17,17.3889,3.3,10.89,4.2,17.64,3.51,12.3201,2.61,6.8121,5.05,25.5025,4.18,17.4724,3.85,14.8225,9.034122222,81.61536433,35.48,12.08,3.06,49.41,447.96,15.45,8.75,163.04,291.73,46.32,18.06,106.25,7.7,92.64,271.7,686.9,1.597,40.8,1.13,36.72,4,49.41,6,459.21,1e-8,71.97,4.28,3.47,4.27,4.28,4.28,4.28,4.28,4.28,10.51,-3.92,-3.01,-3.02,-3.17,-3.52,-3.66,-4.14,2.47,-1.2,0.01,0.98,85.87,4.38,3.08,307.43,6.99,27.87,43.59,29.32,46.5,0.63,0.99,0.67,2.02,44,23,46,25,14,33.5,0.44,3,3,6,0.13,11,21,19,1,1,1,116,280,134,304,15,16.989,2,2.093,0.243,48.5,6,30,109.438,119.13,0.281,5893,8919,6069,13401,22.975,8.941,1370,5.415,41.172,77.472,1105.267,80.048,4.525,5.011,5734,48.7,2069,11618,21.345,168.18,7466,1028.643,1028.735,1351.55,1030.942,1435.314,1.403,1.88,1.88,1.427,1.876,1.343,0.912,1.916,11.275,27.49,100.042,15.629,7.337,3.743,4.985,0.941,0.559,0.332,0.182,0.091,1,537,251,10.913,1.664,21.289,86,762,99,10,1.006,2.914,138.377,4,2.222,0.819,1.132,0.569,0.302,0.266,0.147,0.085,0.085,0.16,0.067,0.027,0.04,0.023,0.013,0.013,0.009,0.005,0.007,0.364,6391.324,1.916,212.219,290.515,951.089,43.231,30.708,15.229,4.763,9.138,0.456,0.95,0.665,0.987,0.956,7.5,91.583,0.971,13.366,9.148,75.221,523.099,586.434,8.731,93.171,636.109,710.902,0.248,182.27,1087.178,1228.248,0.513,102.682,686.173,767.804,24.865,3.741,0.487,0.855,0.129,0.166,0.166,0.205,0.598,0.35,0.33,20.218,2.696,0.228,0.874,0.116,0.155,0.155,0.166,0.393,0.177,0.068,22.501,3.004,0.329,0.871,0.116,0.155,0.166,0.172,0.487,0.221,0.148,24.471,3.709,0.473,0.854,0.129,0.155,0.155,0.182,0.579,0.345,0.309,23.047,3.136,0.359,0.868,0.118,0.155,0.155,0.161,0.511,0.242,0.177,19.451,2.558,0.184,0.876,0.115,0.181,0.181,0.181,0.364,0.157,0.044,29.094,23.142,25.834,28.653,26.542,22.193,106.972,59.731,75.993,104.089,81.679,53.811,0.178,0.159,0.181,0.782,0.81,0.806,0.781,0.802,0.815,0.426,0.213,0.285,0.411,0.31,0.188,181.414,95.318,124.082,175.639,134.154,85.163,3.907,0.235,97.578,49.94,49.94
4,Bu,OMe.NH-Ph.Alkyl,Yes,Bu,OMe,NH-Ph,alkyl,OMe.NH-Ph,-0.16,0.00779,2.108462542,1.32175,1.747023063,1.16909,0.884501608,0.855366139,-0.067847946,-0.089678022,-0.051331905,12.2,148.84,4.5,20.25,4.63,21.4369,3.76,14.1376,4.76,22.6576,3.96,15.6816,2.84,8.0656,5.54,30.6916,4.75,22.5625,4.39,19.2721,10.94236667,119.7353883,37.32,12.08,3.5,49.41,477.94,15.45,8.75,165.46,308.52,50.42,19.98,109.66,8.15,97.25,287.8,725.5,1.59,40.3,1.11,38.55,4,49.41,7,470.74,5e-9,73.34,4.44,4,4.43,4.44,4.44,4.44,4.44,4.44,10.5,-4.08,-3.34,-3.35,-3.63,-4.08,-4.24,-4.72,2.61,-1.1,0.01,1.01,87.16,4.4,3.4,321.46,6.84,29.47,46.47,31.09,48,0.63,0.99,0.66,2,47,24,49,26,14,34.5,0.423,3,3,7,0.143,11,23,20,1,1,1,120,284,138,308,15,17.682,2,2.089,0.238,50.5,6,31,116.543,131.5,0.285,6750,10045,6938,14782,23.963,9.28,1578,5.717,42.857,81.629,1280.7,89.04,4.816,5.011,6988,50.759,2316,13365,23.24,188.07,8478,1201.822,1201.921,1551.035,1204.323,1641.815,1.377,1.824,1.824,1.406,1.82,1.327,0.91,1.928,11.545,30.11,106.039,16.593,8.022,4.192,5.546,0.962,0.556,0.326,0.176,0.092,0.875,597,280,11.667,1.861,24.25,96,852,112,11,1.171,2.98,147.043,4,2.222,0.819,1.132,0.569,0.323,0.293,0.147,0.085,0.085,0.154,0.065,0.026,0.039,0.021,0.012,0.013,0.008,0.005,0.006,0.351,7650.977,1.938,234.774,325.573,1082.88,46.08,31.976,15.798,5.044,10.026,0.462,0.926,0.689,0.985,0.822,8.94,97.555,0.971,13.366,11.377,81.097,630.031,687.878,10.773,101.526,765.011,832.477,0.281,198.857,1312.682,1440.195,0.635,112.029,825.455,899.017,27.855,3.536,0.789,0.866,0.11,0.153,0.153,0.199,0.61,0.334,0.343,23.122,2.587,0.425,0.885,0.099,0.153,0.153,0.183,0.42,0.174,0.09,25.39,2.859,0.576,0.881,0.099,0.153,0.153,0.173,0.506,0.213,0.176,27.481,3.512,0.768,0.865,0.111,0.153,0.153,0.163,0.594,0.33,0.323,25.942,2.979,0.618,0.878,0.101,0.153,0.153,0.163,0.528,0.233,0.205,22.273,2.464,0.368,0.887,0.098,0.179,0.179,0.204,0.389,0.156,0.066,32.181,26.134,28.825,31.76,29.539,25.105,123.284,70.747,88.859,120.296,95.156,63.98,0.167,0.162,0.187,0.798,0.827,0.821,0.798,0.817,0.831,0.429,0.228,0.298,0.416,0.322,0.204,233.21,122.329,159.505,226.133,172.45,109.286,3.907,0.214,102.179,49.94,49.94
5,tBu,OMe.NH-Ph.Alkyl,Yes,tBu,OMe,NH-Ph,alkyl,OMe.NH-Ph,-0.2,0.01036,1.98464,1.29244,1.670401154,1.01572,0.785893349,0.984523294,-0.006774004,-0.008754994,-0.005241252,11.9,141.61,4.5,20.25,4.72,22.2784,3.67,13.4689,4.6,21.16,3.51,12.3201,2.84,8.0656,5.43,29.4849,4.53,20.5209,4.18,17.4724,10.09794444,101.968482,37.32,12.16,3.2,49.41,484.32,15.45,8.92,84.1,304.81,46.28,18.1,104.56,7.66,97.41,291.4,725.4,1.583,38.3,1.1,38.61,4,49.41,5,458.1,1e-8,71.84,4.46,3.64,4.45,4.46,4.46,4.46,4.46,4.46,10.53,-4.2,-3.14,-3.15,-3.42,-3.86,-4.02,-4.5,2.61,-1.1,0.01,1.03,87.39,4.54,3.14,321.46,6.84,29.47,46.47,31.09,48.75,0.63,0.99,0.66,2.03,47,24,49,26,14,34.5,0.423,3,3,5,0.102,11,23,20,1,1,1,126,290,146,318,18,16.989,1.882,2.03,0.243,50.5,8,33,115.691,126.417,0.273,6494,9711,6658,14346,23.721,12.7,1517,5.496,43.795,83.408,1219.7,84.799,4.653,5.011,6419,52.028,2255,12679,24.078,187.018,8246,1140.822,1140.921,1490.035,1143.323,1580.815,1.425,1.907,1.906,1.457,1.902,1.372,1.094,1.929,12.197,32.242,101.284,16.593,6.697,3.817,4.63,0.927,0.589,0.334,0.166,0.081,0.857,531,250,10.417,1.618,21.819,93,802,74,21,0.921,2.721,146.739,6,3.111,1.319,1.212,0.778,0.344,0.297,0.221,0.176,0.174,0.231,0.084,0.04,0.04,0.031,0.014,0.013,0.012,0.009,0.01,0.485,7241.528,2.041,242.278,308.15,1069.792,45.523,32.878,15.798,4.777,8.032,0.413,0.938,0.662,0.973,0.959,7.43,98.042,0.971,13.366,9.096,80.2,551.393,618.531,8.279,102.289,664.221,743.945,0.257,203.191,1130.607,1280.762,0.48,113.343,715.248,802.287,24.059,3.837,0.591,0.845,0.135,0.193,0.163,0.3,0.653,0.381,0.248,20.369,2.741,0.243,0.872,0.117,0.163,0.173,0.281,0.464,0.189,0.042,22.165,3.078,0.383,0.865,0.12,0.153,0.153,0.199,0.551,0.239,0.104,23.76,3.802,0.571,0.845,0.135,0.183,0.173,0.228,0.637,0.375,0.231,22.593,3.216,0.423,0.861,0.123,0.153,0.153,0.188,0.573,0.262,0.127,19.769,2.59,0.191,0.877,0.115,0.179,0.179,0.24,0.437,0.166,0.026,28.487,23.353,25.626,28.132,26.232,22.55,108.8,61.448,77.892,106.062,83.58,55.468,0.212,0.2,0.198,0.767,0.808,0.797,0.767,0.792,0.815,0.427,0.232,0.298,0.414,0.321,0.21,191.86,98.392,129.63,185.743,140.544,87.802,3.907,0.214,102.001,49.94,49.94
6,Pentyl,OMe.NH-Ph.Alkyl,No,Pen,OMe,NH-Ph,alkyl,OMe.NH-Ph,-0.15,0.00951,2.021819483,1.2484,1.55850256,1.12591,0.901882409,0.888170458,-0.051503676,-0.06429719,-0.041255748,12.7,161.29,4.9,24.01,5.02,25.2004,4.22,17.8084,5.27,27.7729,4.42,19.5364,3.06,9.3636,6.03,36.3609,5.32,28.3024,4.93,24.3049,13.03592222,169.9352682,39.17,12.08,3.95,49.41,507.93,15.45,8.75,167.91,325.32,50.16,20.81,113.67,8.35,101.86,303.9,764.1,1.585,39.9,1.1,40.38,4,49.41,8,482.27,2e-9,74.71,5.42,4.53,5.41,5.42,5.42,5.42,5.42,5.42,10.49,-4.65,-3.67,-3.67,-3.96,-4.41,-4.57,-5.05,2.76,-1.2,0.01,0.87,95.48,4.68,4.45,335.49,6.71,31.07,49.35,32.85,49.5,0.62,0.99,0.66,1.98,50,25,52,27,14,35.5,0.407,3,3,8,0.154,11,25,21,1,1,1,124,288,142,312,15,18.375,2,2.085,0.233,52.5,6,32,123.784,144.8,0.29,7707,11297,7911,16319,24.95,9.608,1810,6.033,44.522,85.757,1480.133,98.943,5.143,5.011,8474,52.785,2587,15383,25.151,209.208,9571,1399,1399.106,1774.52,1401.704,1872.315,1.35,1.767,1.767,1.383,1.763,1.309,0.909,1.939,11.747,32.812,112.096,17.56,8.724,4.638,6.128,0.982,0.554,0.322,0.172,0.088,1,659,310,12.4,2.064,27.52,106,970,126,12,1.326,3.103,155.79,4,2.222,0.819,1.132,0.569,0.323,0.309,0.167,0.085,0.085,0.148,0.063,0.026,0.038,0.02,0.012,0.013,0.009,0.005,0.006,0.339,9124.913,1.947,257.469,364.997,1228.829,49.153,33.205,16.367,5.371,10.657,0.462,0.929,0.725,0.987,0.904,10.81,103.887,0.971,13.366,13.298,83.94,764.182,819.473,12.443,105.296,926.48,991.138,0.309,205.891,1595.553,1719.016,0.733,116.18,999.913,1070.542,31.858,3.356,0.856,0.883,0.093,0.16,0.156,0.209,0.6,0.32,0.38,26.859,2.485,0.505,0.9,0.083,0.16,0.16,0.188,0.426,0.171,0.126,29.175,2.727,0.653,0.896,0.084,0.16,0.151,0.174,0.502,0.206,0.218,31.495,3.337,0.835,0.883,0.094,0.16,0.156,0.188,0.587,0.317,0.361,29.754,2.838,0.693,0.894,0.085,0.16,0.151,0.198,0.523,0.224,0.247,25.963,2.374,0.442,0.902,0.083,0.177,0.177,0.177,0.398,0.154,0.096,36.07,29.849,32.555,35.667,33.285,28.78,137.047,81.565,100.393,134.176,107.021,74.177,0.173,0.169,0.177,0.825,0.85,0.844,0.825,0.841,0.853,0.434,0.241,0.309,0.422,0.331,0.216,264.606,145.112,184.885,257.598,198.806,130.211,3.907,0.194,106.78,49.94,49.94
7,Decyl,OMe.NH-Ph.Alkyl,Yes,Dec,OMe,NH-Ph,alkyl,OMe.NH-Ph,,0.28839,0.54,0.96494,0.931109204,0.02308,0.023918586,43.32755633,1.636764196,1.579379243,1.696234165,14.5,210.25,6.8,46.24,7.11,50.5521,6.54,42.7716,7.79,60.6841,6.7,44.89,5.03,25.3009,8.49,72.0801,7.11,50.5521,7.64,58.3696,25.31034444,640.6135359,48.4,12.08,6.17,49.41,665.1,15.45,8.75,103.66,406.84,71.18,22.76,126.24,13.01,124.9,384.2,957.2,1.563,38.5,1.05,49.51,4,49.41,13,539.01,0e+0,81.63,8.05,7.19,8.04,8.05,8.05,8.05,8.05,8.05,10.5,-7.5,-5.21,-5.22,-5.5,-5.95,-6.11,-6.59,3.46,-2.5,0,-0.27,99.73,5.18,6.47,405.64,6.24,39.06,63.77,41.65,57,0.6,0.98,0.64,1.9,65,30,67,32,14,40.5,0.344,3,3,13,0.194,11,35,26,1,1,1,144,308,162,332,15,21.841,2,2.071,0.214,62.5,6,37,161.616,224.333,0.314,14132,19587,14476,26484,29.78,11.144,3365,7.736,52.719,106.369,2872.3,161.014,7.262,5.011,20294,62.705,4337,30448,34.801,332.525,16286,2779.893,2780.032,3286.944,2783.608,3419.819,1.224,1.503,1.503,1.261,1.5,1.21,0.904,1.975,12.309,47.844,143.207,22.426,12.439,7.192,9.298,1.063,0.545,0.31,0.164,0.082,0.909,1030,488,16.267,2.849,43.778,165,1780,202,17,1.993,3.423,200.459,4,2.222,0.819,1.132,0.569,0.323,0.309,0.18,0.111,0.105,0.125,0.056,0.022,0.032,0.017,0.01,0.01,0.007,0.004,0.005,0.289,19323.289,1.981,377.614,594.563,2110.028,64.924,39.202,19.211,7.119,14.48,0.472,0.902,0.815,1,0.837,23.96,136.192,0.971,13.366,20.469,117.669,1729.745,1751.809,18.488,150.821,2063.056,2086.556,0.403,291.824,3524.321,3577.325,1.087,166.5,2219.938,2246.069,53.553,2.709,1.901,0.921,0.047,0.163,0.211,0.183,0.587,0.267,0.414,49.817,2.079,1.386,0.935,0.039,0.156,0.142,0.163,0.508,0.158,0.215,51.198,2.23,1.624,0.93,0.04,0.15,0.146,0.169,0.536,0.178,0.302,53.394,2.704,1.872,0.921,0.047,0.15,0.194,0.15,0.584,0.267,0.402,51.615,2.31,1.682,0.928,0.042,0.15,0.15,0.142,0.545,0.191,0.325,49.208,2.008,1.29,0.937,0.038,0.169,0.169,0.169,0.496,0.148,0.185,58.162,53.282,55.052,57.97,55.607,52.506,252.004,175.493,200.916,249.392,209.932,164.861,0.184,0.153,0.169,0.881,0.902,0.895,0.882,0.892,0.906,0.423,0.294,0.339,0.417,0.353,0.276,585.907,372.312,441.346,577.648,466.082,344.809,3.907,0.111,129.785,49.94,49.94
8,OH,OMe.NH-Ph.O-R',No,OH,OMe,NH-Ph,O-R',OMe.NH-Ph,-0.37,0.06884,1.162159138,1.41974,2.015661668,0.22875,0.16112105,4.371584699,0.640638897,0.909540668,0.451236774,8.8,77.44,2.9,8.41,2.58,6.6564,1.86,3.4596,2.42,5.8564,1.84,3.3856,1.11,1.2321,2.69,7.2361,1.89,3.5721,2.16,4.6656,2.790655556,7.78775843,30.62,9.49,1.35,69.64,367.08,15.45,8.49,156.71,249.72,40.49,15.83,95.35,5.9,79.85,221.6,584.3,1.639,48.2,1.26,31.65,5,69.64,4,481.36,7e-10,77.45,2.79,1.2,2.79,2.79,2.79,2.79,2.79,2.79,11.15,-2.76,-1.58,-1.58,-1.84,-2.28,-2.44,-2.92,2.11,-1.7,0.1,0.38,77.07,4.11,1.77,281.34,7.81,23.59,36.26,24.49,47.5,0.66,1.01,0.68,2.26,36,21,38,23,14,31.5,0.478,3,3,4,0.105,11,15,16,2,1,1,108,296,125,310,15,15.603,2,2.102,0.253,45.5,6,27,95.714,97.333,0.274,4463,7621,4627,13107,21.031,8.217,1022,4.867,37.651,68.931,822.4,64.984,4.029,5.011,3827,44.363,1643,8842,17.682,132.377,5681,745.286,745.378,1039.658,747.249,1114.317,1.449,1.982,1.982,1.438,1.977,1.344,1.432,3.259,15.773,25.322,88.239,13.674,5.994,3.07,3.903,0.848,0.571,0.334,0.176,0.09,1,427,198,9.429,1.401,16.857,69,595,73,6,0.741,2.684,121.334,4,2.222,0.819,1.092,0.479,0.262,0.266,0.147,0.085,0.048,0.174,0.072,0.03,0.046,0.022,0.012,0.014,0.01,0.007,0.006,0.392,3680.394,1.862,155.461,204.466,641.203,35.622,28.359,14.271,4.247,7.372,0.453,0.967,0.582,0.995,0.815,5.16,75.204,0.971,13.381,3.426,70.569,354.986,421.303,2.793,85.307,360.68,439.342,0.154,164.593,601.557,750.27,0.186,93.598,379.287,465.201,16.346,4.424,0.229,0.778,0.211,0.162,0.177,0.429,0.551,0.402,0.232,15.068,2.92,0.087,0.834,0.162,0.177,0.177,0.276,0.467,0.173,0.031,15.156,3.469,0.139,0.808,0.185,0.162,0.177,0.237,0.472,0.243,0.082,16.37,4.32,0.219,0.783,0.207,0.162,0.162,0.298,0.553,0.383,0.211,15.334,3.659,0.156,0.801,0.191,0.162,0.162,0.276,0.483,0.271,0.103,15.665,2.707,0.066,0.85,0.147,0.185,0.185,0.215,0.505,0.149,0.017,20.999,18.076,18.763,20.909,19.149,18.437,77.07,45.571,55.161,75.251,59.063,43.61,0.231,0.205,0.195,0.668,0.75,0.712,0.674,0.701,0.774,0.395,0.224,0.266,0.383,0.286,0.224,114.628,67.492,81.242,111.644,86.942,64.843,3.907,1.062,85.029,70.17,70.17
9,OMe,OMe.NH-Ph.O-R',Yes,OMe,OMe,NH-Ph,O-R',OMe.NH-Ph,-0.27,0.01967,1.7062,1.28872,1.660799238,0.63812,0.495157986,1.567103366,0.195097643,0.251426235,0.151388698,9.8,96.04,3.2,10.24,2.86,8.1796,2.05,4.2025,2.95,8.7025,2.09,4.3681,1.35,1.8225,3.6,12.96,2.63,6.9169,2.48,6.1504,4.246388889,18.0318186,32.53,11.99,1.5,58.64,398.53,15.45,8.54,236.42,267.17,44.36,16.79,101,6.22,84.81,246.1,628.9,1.605,42.6,1.2,33.62,5,58.64,5,460.4,1e-8,72.11,3.19,1.9,3.18,3.19,3.19,3.19,3.19,3.19,10.56,-3.49,-2.14,-2.15,-2.42,-2.87,-3.03,-3.51,2.25,-1.4,0.06,0.33,87.59,4.31,2.08,295.37,7.57,25.19,39.15,26.26,47,0.65,1,0.67,2.14,39,22,41,24,14,32.5,0.458,3,3,5,0.122,11,17,17,2,1,1,112,308,130,320,15,16.296,2,2.097,0.248,47.5,6,29,102.489,107.727,0.277,5132,8519,5300,14192,21.995,8.589,1185,5.13,39.449,73.256,952.833,72.012,4.266,5.011,4688,46.585,1845,10118,19.481,149.591,6534,863.214,863.339,1233.252,865.519,1325.027,1.427,1.956,1.956,1.394,1.951,1.3,0.939,1.881,12.889,24.24,94.107,14.631,6.642,3.32,4.417,0.862,0.565,0.34,0.179,0.088,0.857,481,224,10.182,1.488,18.975,77,676,86,9,0.832,2.738,129.802,4,2.222,0.819,1.132,0.542,0.262,0.266,0.147,0.085,0.085,0.167,0.069,0.028,0.044,0.024,0.011,0.013,0.009,0.006,0.008,0.379,4576.159,1.885,176.46,234.675,740.66,37.983,30.111,15.018,4.445,8.212,0.459,0.97,0.622,0.98,0.984,5.97,81.447,0.971,13.379,2.994,71.747,416.975,484.492,5.724,86.54,450.936,530.373,0.051,167.671,763.239,913.199,0.382,94.982,479.032,565.697,19.421,4.136,0.237,0.816,0.174,0.159,0.173,0.664,0.562,0.375,0.233,16.873,2.828,0.085,0.853,0.143,0.173,0.185,0.234,0.427,0.179,0.029,17.761,3.294,0.141,0.838,0.155,0.159,0.159,0.242,0.469,0.237,0.081,19.272,4.057,0.226,0.818,0.172,0.173,0.159,0.269,0.554,0.363,0.212,18.087,3.459,0.158,0.833,0.159,0.159,0.159,0.242,0.486,0.26,0.103,16.557,2.671,0.063,0.858,0.138,0.183,0.183,0.253,0.411,0.159,0.016,23.794,19.786,21.196,23.555,21.704,19.291,85.906,49.39,61.473,83.457,65.963,45.426,0.263,0.195,0.204,0.724,0.779,0.757,0.727,0.75,0.787,0.39,0.212,0.262,0.376,0.283,0.195,128.703,73.242,90.9,124.695,97.558,67.494,3.907,0.304,89.798,59.17,59.17
10,OEt,OMe.NH-Ph.O-R',Yes,OEt,OMe,NH-Ph,O-R',OMe.NH-Ph,-0.24,0.01356,1.86774031,1.2827,1.64531929,0.7859,0.612691978,1.272426517,0.104632711,0.134212379,0.081572239,10.5,110.25,3.6,12.96,3.37,11.3569,2.49,6.2001,3.33,11.0889,2.44,5.9536,1.59,2.5281,4.09,16.7281,3.05,9.3025,2.85,8.1225,5.392477778,29.07881658,34.37,11.94,1.85,58.64,429.96,15.45,8.44,237.17,283.96,41.69,18.9,105.55,5,89.42,262.1,667.5,1.597,42,1.17,35.45,5,58.64,6,470.92,5e-9,73.36,3.58,2.43,3.57,3.58,3.58,3.58,3.58,3.58,10.59,-3.69,-2.48,-2.48,-2.74,-3.18,-3.34,-3.82,2.39,-1.3,0.04,0.55,87.49,4.35,2.27,309.4,7.37,26.79,42.03,28.02,48.5,0.64,1,0.67,2.11,42,23,44,25,14,33.5,0.44,3,3,6,0.136,11,19,18,2,1,1,116,312,134,328,15,16.989,2,2.093,0.243,49.5,6,30,109.438,119.13,0.281,5893,9531,6069,15433,22.975,8.941,1370,5.415,41.172,77.472,1105.267,80.048,4.525,5.011,5734,48.7,2069,11618,21.345,168.18,7466,1003.143,1003.3,1448.847,1005.79,1557.736,1.403,1.918,1.917,1.351,1.912,1.259,0.937,1.931,13.575,26.671,100.042,15.591,7.31,3.726,4.955,0.898,0.559,0.332,0.182,0.091,1,537,251,10.913,1.664,21.289,86,762,99,10,1.006,2.914,138.377,4,2.222,0.819,1.132,0.569,0.302,0.266,0.147,0.085,0.085,0.16,0.067,0.027,0.04,0.023,0.013,0.013,0.009,0.005,0.007,0.364,5679.398,1.886,196.549,270.448,858.452,40.879,31.489,15.585,4.711,8.734,0.456,0.972,0.669,0.979,0.961,7.18,87.912,0.971,13.381,6.012,72.299,505.229,573.008,8.192,87.645,572.914,652.477,0.047,170.858,983.891,1133.972,0.521,96.332,613.329,700.101,23.474,3.881,0.258,0.85,0.141,0.156,0.18,0.435,0.557,0.353,0.261,19.526,2.718,0.087,0.874,0.122,0.169,0.156,0.281,0.387,0.176,0.029,21.238,3.12,0.151,0.867,0.127,0.156,0.156,0.272,0.455,0.226,0.088,23.163,3.818,0.247,0.851,0.14,0.156,0.156,0.272,0.543,0.344,0.238,21.722,3.267,0.17,0.863,0.13,0.156,0.156,0.254,0.476,0.247,0.112,18.952,2.58,0.061,0.878,0.119,0.181,0.181,0.246,0.365,0.159,0.014,27.614,22.33,24.508,27.228,25.159,21.593,98.181,54.998,69.932,95.1,75.213,50.206,0.23,0.195,0.201,0.775,0.812,0.8,0.776,0.795,0.817,0.39,0.197,0.256,0.375,0.279,0.179,149.337,81.941,104.421,144.184,112.462,74.763,3.907,0.278,94.546,59.17,59.17
11,OCF3,OMe.NH-Ph.O-R',Yes,OCF3,OMe,NH-Ph,O-R',OMe.NH-Ph,0.35,0.02313,1.635824367,1.31434,1.727489636,0.47032,0.357837394,2.126211941,0.327606553,0.430586397,0.24925556,11,121,4.1,16.81,3.76,14.1376,2.99,8.9401,3.87,14.9769,4.23,17.8929,1.71,2.9241,4.57,20.8849,3.88,15.0544,3.69,13.6161,8.315144444,69.14162713,31.8,11.54,3.09,58.64,414.64,15.42,7.64,306.65,282.54,42.91,17.65,103.6,5.22,85.14,261,651.8,1.566,38.9,1.33,33.75,5,58.64,6,427.43,2e-7,68.24,4.15,2.93,4.14,4.15,4.15,4.15,4.15,4.15,9.96,-4.23,-3.46,3.46,-3.52,-3.7,-3.79,-4.2,2.3,-1.2,0.02,0.57,93.58,4.49,2.53,349.34,8.96,25.52,40.68,26.07,70.25,0.65,1.04,0.67,2.81,39,25,41,27,14,35.5,0.407,3,3,5,0.122,11,14,17,2,1,1,130,470,148,422,18,17.682,1.887,2.028,0.238,58,8,32,122.979,139.68,0.278,7439,15125,7619,30131,24.72,13.23,1746,5.82,45.368,87.402,1416.133,94.665,4.982,5.011,7835,53.93,2523,14627,26.074,208.357,9336,1265,1262.735,1989.73,1269.833,2183.428,1.392,1.919,1.921,1.264,1.912,1.16,5.956,4.145,34.081,43.168,107.342,17.333,7.174,4.529,4.974,0.806,0.583,0.311,0.168,0.085,1,591,279,11.16,1.779,24.976,103,917,86,22,1.086,2.889,155.525,6.5,2.444,1.319,1.452,0.625,0.464,0.328,0.172,0.145,0.16,0.241,0.064,0.041,0.045,0.022,0.018,0.014,0.009,0.008,0.009,0.472,4587.533,1.882,175.031,235.258,743.996,38.154,37.862,17.229,4.898,8.584,0.469,0.967,0.71,0.984,0.966,9.02,82.778,0.971,13.381,13.233,78.601,656.438,722.827,3.543,87.534,469.694,548.934,0.848,171.404,848.322,997.417,0.493,95.324,470.382,556.936,19.483,4.15,0.263,0.815,0.174,0.159,0.173,0.519,0.555,0.377,0.234,22.371,2.48,0.209,0.893,0.099,0.159,0.166,0.226,0.726,0.13,0.145,18.242,3.266,0.162,0.842,0.151,0.159,0.159,0.226,0.485,0.231,0.088,20.578,3.938,0.274,0.83,0.159,0.159,0.159,0.242,0.618,0.337,0.254,17.876,3.488,0.168,0.83,0.162,0.159,0.159,0.226,0.467,0.265,0.094,24.019,2.244,0.255,0.906,0.085,0.177,0.177,0.261,0.834,0.104,0.214,23.895,25.06,21.671,24.791,21.533,26.518,87.055,60.682,63.075,87.766,65.948,60.596,0.242,0.181,0.202,0.723,0.839,0.763,0.745,0.745,0.859,0.389,0.334,0.268,0.403,0.276,0.384,132.196,97.356,94.408,134.777,97.953,100.839,3.907,0.352,90.909,59.17,59.17
12,SMe,OMe.NH-Ph.S-R',Yes,SMe,OMe,NH-Ph,S-R',OMe.NH-Ph,0,0.02603,1.58453,1.2931,1.67210761,0.49405,0.382066352,2.024086631,0.306229096,0.395984845,0.236817799,10.4,108.16,3.9,15.21,3.2,10.24,2.66,7.0756,3.33,11.0889,2.65,7.0225,2.14,4.5796,4.12,16.9744,3.46,11.9716,3.02,9.1204,6.215344444,38.63050656,34.9,12.01,2.28,49.41,408.2,15.39,8.62,180.13,277.01,41.77,16.91,104.72,6.22,91.23,254.1,659.2,1.637,45.2,1.22,36.16,4,74.71,5,480.74,2e-9,74.53,3.92,2.33,3.92,3.92,3.92,3.92,3.92,3.92,10.38,-3.64,-2.87,-2.88,-2.94,-3.12,-3.21,-3.62,2.36,-1.2,0.02,0.66,89.58,4.36,2.36,311.44,7.99,25.77,38.89,27.45,45.33,0.66,1,0.7,2.06,39,22,41,24,14,32.5,0.458,3,3,5,0.122,11,17,17,1,1,1,112,272.444,130,293.333,15,16.296,2,2.097,0.248,46.5,6,29,102.489,107.727,0.277,5132,7720,5300,11498.667,21.995,8.589,1185,5.13,39.449,73.256,952.833,72.012,4.266,5.011,4688,46.585,1845,10118,19.481,149.591,6534,840.339,840.394,1170.121,876.232,1227.835,1.427,1.996,1.995,1.449,1.934,1.376,0.919,1.898,10.448,24.465,94.107,15.005,6.9,3.48,4.706,1.015,0.565,0.34,0.179,0.088,0.857,481,224,10.182,1.488,18.975,77,676,86,9,0.832,2.738,129.802,4,2.222,0.819,1.132,0.542,0.262,0.266,0.147,0.085,0.085,0.167,0.069,0.028,0.044,0.024,0.011,0.013,0.009,0.006,0.008,0.379,4634.88,1.865,174.113,237.686,750.4,38.482,30.918,15.313,4.659,8.184,0.458,0.971,0.658,0.993,0.977,6.85,82.638,0.97,13.376,6.14,75.042,493.197,563.982,4.933,88.59,489.819,571.294,0.104,169.489,775.086,926.87,0.67,98.065,547.847,637.572,20.008,4.192,0.237,0.819,0.172,0.173,0.159,0.422,0.545,0.38,0.233,18.979,2.771,0.081,0.869,0.127,0.173,0.159,0.242,0.501,0.175,0.026,18.875,3.298,0.138,0.846,0.148,0.173,0.159,0.211,0.487,0.239,0.078,19.701,4.13,0.228,0.819,0.172,0.173,0.159,0.25,0.529,0.37,0.215,19.814,3.414,0.151,0.847,0.146,0.173,0.159,0.198,0.538,0.258,0.094,16.643,2.726,0.063,0.856,0.14,0.183,0.183,0.238,0.38,0.165,0.016,24.436,21.831,22.31,24.058,23.379,19.433,89.59,54.348,65.302,86.786,71.165,46.606,0.226,0.188,0.2,0.728,0.804,0.769,0.728,0.771,0.785,0.386,0.234,0.268,0.371,0.297,0.187,133.864,80.439,96.182,129.362,104.787,68.917,3.907,0.304,96.242,49.94,75.24
13,F,OMe.NH-Ph.Halogen,Yes,F,OMe,NH-Ph,Halogen,OMe.NH-Ph,0.06,0.02077,1.682563503,1.17885,1.389687323,0.47403,0.402112228,2.109571124,0.324194172,0.3821763,0.275008841,9.6,92.16,3.6,12.96,2.92,8.5264,2.22,4.9284,3.06,9.3636,2.31,5.3361,2.02,4.0804,3.72,13.8384,2.88,8.2944,2.61,6.8121,5.009922222,25.09932067,29.67,11.77,1.8,49.41,363.06,15.41,8.16,155.34,246.38,40.45,15.76,95.08,5.83,78.87,227.3,578.8,1.61,42,1.24,31.26,4,49.41,4,424.54,2e-7,67.9,3.22,2.4,3.22,3.22,3.22,3.22,3.22,3.22,10.25,-3.55,-1.9,-1.9,-2.16,-2.6,-2.76,-3.24,2.07,-1.3,0.06,0.37,86.97,4.27,2.25,283.33,8.1,23.19,35.45,23.98,49.5,0.66,1.01,0.69,2.36,35,21,37,23,14,31.5,0.478,3,3,4,0.108,11,14,16,1,1,1,108,320,125,318,15,15.603,2,2.102,0.253,46,6,27,95.714,97.333,0.274,4463,7929,4627,14115,21.031,8.217,1022,4.867,37.651,68.931,822.4,64.984,4.029,5.011,3827,44.363,1643,8842,17.682,132.377,5681,743.619,743.007,1049.385,745.931,1133.166,1.449,1.985,1.986,1.429,1.979,1.329,1.932,4.855,18.736,27.765,88.239,13.649,5.977,3.06,3.885,0.844,0.571,0.334,0.176,0.09,1,427,198,9.429,1.401,16.857,69,595,73,6,0.741,2.684,121.334,4,2.222,0.819,1.092,0.479,0.262,0.266,0.147,0.085,0.048,0.174,0.072,0.03,0.046,0.022,0.012,0.014,0.01,0.007,0.006,0.392,3396.687,1.859,148.908,194.096,608.013,34.744,28.522,14.303,4.27,7.156,0.452,0.967,0.59,0.998,0.812,5.31,73.392,0.971,13.375,6.583,70.508,366.117,432.658,4.868,84.856,338.469,417.17,0.255,163.691,554.351,703.32,0.282,93.054,350.257,436.201,15.168,4.538,0.218,0.761,0.228,0.179,0.179,0.403,0.55,0.411,0.206,15.435,2.905,0.083,0.838,0.158,0.163,0.163,0.25,0.57,0.169,0.029,14.466,3.523,0.132,0.798,0.194,0.163,0.193,0.224,0.499,0.244,0.074,15.432,4.41,0.208,0.77,0.22,0.163,0.193,0.232,0.57,0.389,0.186,14.464,3.729,0.148,0.789,0.203,0.163,0.193,0.224,0.498,0.274,0.093,16.472,2.679,0.064,0.857,0.139,0.185,0.185,0.276,0.649,0.144,0.017,19.924,18.424,18.121,20.049,18.34,19.215,73.137,46.371,53.34,72.172,56.624,45.349,0.234,0.188,0.212,0.642,0.757,0.697,0.655,0.683,0.786,0.389,0.256,0.272,0.381,0.288,0.27,108.085,68.526,78.205,106.352,82.943,67.391,3.907,0.331,83.551,49.94,49.94
14,Cl,OMe.NH-Ph.Halogen,Yes,Cl,OMe,NH-Ph,Halogen,OMe.NH-Ph,0.23,0.0155,1.809668302,1.26522,1.600781648,0.6611,0.522517823,1.512630464,0.179732843,0.227401587,0.142056593,10.3,106.09,3.8,14.44,3.49,12.1801,2.77,7.6729,3.58,12.8164,2.77,7.6729,2.14,4.5796,4.17,17.3889,3.34,11.1556,3.14,9.8596,6.261888889,39.21125246,31.87,11.73,2.26,49.41,372.52,15.37,8.15,155.34,255.43,40.98,16.34,98.01,6.16,83.6,233.7,607.5,1.634,45.6,1.28,33.14,4,49.41,4,450.8,3e-8,70.97,3.8,2.94,3.8,3.8,3.8,3.8,3.8,3.8,10.07,-4.03,-2.41,-2.41,-2.46,-2.61,-2.69,-3.06,2.17,-1.2,0.03,0.32,94.46,4.59,2.5,299.78,8.57,23.78,35.26,24.9,45.61,0.68,1.01,0.71,2.17,35,21,37,23,14,31.5,0.478,3,3,4,0.108,11,14,16,1,1,1,108,271.605,125,293.111,15,15.603,2,2.102,0.253,44.833,6,27,95.714,97.333,0.274,4463,6997.049,4627,10979,21.031,8.217,1022,4.867,37.651,68.931,822.4,64.984,4.029,5.011,3827,44.363,1643,8842,17.682,132.377,5681,737.345,737.141,1020.58,747.985,1086.46,1.449,1.997,1.997,1.457,1.976,1.367,0.96,1.863,12.974,23.47,88.239,13.984,6.202,3.202,4.13,0.893,0.571,0.334,0.176,0.09,1,427,198,9.429,1.401,16.857,69,595,73,6,0.741,2.684,121.334,4,2.222,0.819,1.092,0.479,0.262,0.266,0.147,0.085,0.048,0.174,0.072,0.03,0.046,0.022,0.012,0.014,0.01,0.007,0.006,0.392,3408.89,1.855,148.369,194.794,610.378,34.879,29.318,14.416,4.513,7.558,0.465,0.967,0.649,1,0.816,6.61,73.891,0.971,13.371,11.836,71.078,457.465,524.547,9.268,85.107,376.279,455.219,0.166,163.615,551.348,700.242,0.8,93.44,407.42,493.733,15.333,4.538,0.218,0.763,0.226,0.193,0.179,0.447,0.538,0.411,0.206,18.253,2.763,0.079,0.865,0.131,0.179,0.179,0.25,0.766,0.154,0.026,15.694,3.449,0.129,0.814,0.179,0.163,0.163,0.282,0.564,0.236,0.071,15.429,4.432,0.209,0.769,0.221,0.163,0.193,0.232,0.545,0.392,0.188,16.221,3.61,0.143,0.812,0.181,0.163,0.163,0.224,0.603,0.26,0.086,15.582,2.742,0.066,0.847,0.149,0.185,0.185,0.294,0.556,0.15,0.018,20.09,21.095,19.272,20.069,19.973,18.39,73.925,52.085,56.595,72.521,61.382,43.923,0.249,0.2,0.216,0.645,0.798,0.722,0.653,0.718,0.771,0.385,0.315,0.29,0.375,0.316,0.241,109.205,77.154,82.857,106.863,89.705,65.112,3.907,0.331,88.14,49.94,49.94
15,Br,OMe.NH-Ph.Halogen,Yes,Br,OMe,NH-Ph,Halogen,OMe.NH-Ph,0.23,0.02362,1.626720107,1.37262,1.884085664,0.44363,0.323199429,2.254130694,0.352979093,0.484506162,0.257157183,10.5,110.25,4,16,3.62,13.1044,2.86,8.1796,3.71,13.7641,2.86,8.1796,2.26,5.1076,4.41,19.4481,3.51,12.3201,3.2,10.24,6.8106,46.38427236,32.73,11.71,2.42,49.41,376.54,15.39,8.08,154.45,259.69,41.05,16.5,99.31,6.27,86.55,236.9,622.2,1.651,47.5,1.45,34.31,4,49.41,4,464.89,8e-9,72.64,3.96,3.12,3.96,3.96,3.96,3.96,3.96,3.96,10.07,-4.28,-2.29,-2.29,-2.33,-2.48,-2.56,-2.94,2.33,-1.2,0.02,0.74,87.93,4.53,2.57,344.23,9.84,24.16,35.16,25.39,44.25,0.69,1,0.73,2.11,35,21,37,23,14,31.5,0.478,3,3,4,0.108,11,14,16,1,1,1,108,271.067,125,291.037,15,15.603,2,2.102,0.253,44.25,6,27,95.714,97.333,0.274,4463,6922.882,4627,10717.667,21.031,8.217,1022,4.867,37.651,68.931,822.4,64.984,4.029,5.011,3827,44.363,1643,8842,17.682,132.377,5681,733.714,733.371,1015.036,749.261,1081.853,1.449,2.004,2.004,1.462,1.973,1.372,0.927,1.876,10.957,22.62,88.239,14.17,6.328,3.282,4.27,0.947,0.571,0.334,0.176,0.09,1,427,198,9.429,1.401,16.857,69,595,73,6,0.741,2.684,121.334,4,2.222,0.819,1.092,0.479,0.262,0.266,0.147,0.085,0.048,0.174,0.072,0.03,0.046,0.022,0.012,0.014,0.01,0.007,0.006,0.392,3413.848,1.853,148.184,195.077,611.342,34.934,32.34,15.297,4.856,8.44,0.491,0.968,0.746,1,0.836,10,74.118,0.971,13.373,23.267,72.593,695.821,764.354,12.066,85.263,402.62,481.71,0.116,163.571,548.492,697.343,1.069,93.641,441.261,527.766,15.402,4.538,0.218,0.764,0.225,0.179,0.179,0.447,0.533,0.411,0.206,24.245,2.425,0.069,0.907,0.091,0.163,0.163,0.241,1.335,0.119,0.019,16.534,3.401,0.127,0.824,0.17,0.163,0.163,0.241,0.615,0.231,0.068,15.389,4.442,0.209,0.768,0.222,0.163,0.179,0.232,0.533,0.394,0.189,17.238,3.547,0.14,0.824,0.169,0.163,0.163,0.216,0.669,0.252,0.083,15.186,2.764,0.066,0.843,0.153,0.185,0.185,0.276,0.518,0.152,0.018,20.159,26.739,20.062,20.041,20.925,18.016,74.253,60.62,58.764,72.515,64.047,43.155,0.242,0.186,0.212,0.646,0.86,0.736,0.652,0.736,0.764,0.383,0.491,0.305,0.372,0.334,0.229,109.671,91.403,85.975,106.865,93.523,63.941,3.907,0.331,90.958,49.94,49.94
16,I,OMe.NH-Ph.Halogen,No,I,OMe,NH-Ph,Halogen,OMe.NH-Ph,0.18,0.02212,1.655214877,1.28762,1.657965264,0.5099,0.396001926,1.961168857,0.292514988,0.376648149,0.227174934,10.8,116.64,4,16,3.76,14.1376,3.09,9.5481,3.98,15.8404,2.69,7.2361,2.38,5.6644,4.69,21.9961,3.78,14.2884,3.16,9.9856,7.320555556,53.59053364,35.05,11.69,2.58,49.41,382.09,15.39,8.03,154.43,265.98,41.23,16.79,100.96,6.42,91.65,242,641.3,1.681,49.3,1.61,36.33,4,49.41,4,479.18,2e-9,74.34,3.78,3.38,3.77,3.78,3.78,3.78,3.78,3.78,10.1,-4.3,-2.34,-2.35,-2.39,-2.53,-2.61,-2.97,2.31,-1.2,0.03,0.76,84.2,4.59,2.69,391.23,11.18,24.51,35,26.7,43.62,0.7,1,0.76,2.08,35,21,37,23,14,31.5,0.478,3,3,4,0.108,11,14,16,1,1,1,108,271.024,125,290.622,15,15.603,2,2.102,0.253,43.9,6,27,95.714,97.333,0.274,4463,6908.113,4627,10665.4,21.031,8.217,1022,4.867,37.651,68.931,822.4,64.984,4.029,5.011,3827,44.363,1643,8842,17.682,132.377,5681,732.55,732.258,1012.156,751.965,1076.892,1.449,2.006,2.007,1.465,1.969,1.376,0.919,1.883,10.342,22.475,88.239,14.407,6.489,3.384,4.452,0.984,0.571,0.334,0.176,0.09,1,427,198,9.429,1.401,16.857,69,595,73,6,0.741,2.684,121.334,4,2.222,0.819,1.092,0.479,0.262,0.266,0.147,0.085,0.048,0.174,0.072,0.03,0.046,0.022,0.012,0.014,0.01,0.007,0.006,0.392,3420.388,1.85,147.964,195.451,612.619,35.007,34.729,15.846,5.047,9.212,0.513,0.968,0.808,1,0.862,13.98,74.44,0.971,13.369,32.992,74.185,974.011,1044.054,14.635,85.409,429.626,508.85,0.072,163.514,541.775,690.562,1.751,94.179,532.605,619.619,15.495,4.538,0.218,0.765,0.224,0.163,0.179,0.447,0.526,0.411,0.206,29.913,2.14,0.061,0.931,0.067,0.163,0.163,0.232,1.986,0.093,0.015,17.404,3.358,0.125,0.833,0.161,0.163,0.163,0.224,0.665,0.226,0.066,15.267,4.461,0.21,0.766,0.224,0.163,0.163,0.241,0.511,0.397,0.19,19.822,3.386,0.133,0.849,0.145,0.163,0.179,0.216,0.865,0.231,0.075,15.081,2.774,0.066,0.842,0.155,0.185,0.185,0.259,0.498,0.153,0.018,20.252,32.114,20.888,19.939,23.342,17.921,74.698,65.959,61.053,72.258,70.218,43.02,0.235,0.184,0.207,0.648,0.897,0.75,0.649,0.774,0.762,0.381,0.698,0.319,0.366,0.39,0.223,110.312,101.957,89.275,106.524,102.5,63.715,3.907,0.331,95.743,49.94,49.94
17,CN,OMe.NH-Ph.CN,Yes,CN,OMe,NH-Ph,Cyanide,OMe.NH-Ph,0.66,0.01674,1.776244546,1.47844,2.185784834,0.82985,0.561301101,1.205037055,0.081000402,0.119754234,0.05478775,9,81,3,9,2.68,7.1824,1.97,3.8809,2.65,7.0225,1.99,3.9601,1.28,1.6384,3.62,13.1044,2.44,5.9536,2.23,4.9729,4.024055556,16.19302311,31.84,11.71,1.51,73.2,374.26,15.29,8.19,163.78,258.75,41.02,16.98,99.41,6.12,85.52,237.2,624.4,1.64,47.9,1.22,33.9,5,73.2,5,489.22,1e-9,75.55,3,1.88,3,3,3,3,3,3,9.65,-3.03,-2.73,-2.73,-2.83,-3.1,-3.23,-3.68,2.21,-1.5,0.07,0.52,75.44,3.9,2.16,290.35,8.07,24.48,36.15,25.28,50,0.68,1,0.7,2.27,36,22,38,24,15,34.5,0.458,3,3,4,0.105,11,14,17,1,1,1,112,312,130,326,15,16.296,2,2.097,0.248,47,6,29,102.489,107.727,0.277,5132,8889,5300,15498,21.995,8.589,1185,5.13,39.449,73.256,952.833,72.012,4.266,5.011,4688,46.585,1845,10118,19.481,149.591,6534,863.464,863.551,1164.138,865.596,1242.013,1.427,1.954,1.954,1.454,1.949,1.363,1.038,2.79,14.948,26.601,94.107,14.183,6.337,3.132,4.085,0.844,0.565,0.34,0.179,0.088,0.857,481,224,10.182,1.488,18.975,77,676,86,9,0.832,2.738,129.802,4,2.222,0.819,1.132,0.542,0.262,0.266,0.147,0.085,0.085,0.167,0.069,0.028,0.044,0.024,0.011,0.013,0.009,0.006,0.008,0.379,3709.242,1.852,154.426,206.069,645.666,35.87,29.239,14.814,4.454,7.962,0.47,0.97,0.624,1,0.922,6.01,75.846,0.966,13.242,6.359,70.721,415.276,482.027,9.064,85.414,418.098,497.341,0.111,164.117,613.313,762.687,0.597,93.64,430.146,516.661,16.755,4.427,0.213,0.783,0.207,0.177,0.191,0.429,0.524,0.402,0.2,17.096,2.844,0.081,0.854,0.142,0.162,0.191,0.246,0.546,0.166,0.028,16.957,3.363,0.126,0.829,0.164,0.162,0.205,0.228,0.536,0.231,0.068,16.761,4.336,0.204,0.787,0.204,0.162,0.177,0.246,0.525,0.386,0.183,16.873,3.561,0.141,0.82,0.173,0.162,0.205,0.213,0.531,0.259,0.086,18.675,2.602,0.062,0.875,0.122,0.183,0.183,0.253,0.652,0.139,0.016,21.395,20.021,20.446,21.3,20.575,21.339,78.685,50.237,59.572,76.97,62.964,49.916,0.244,0.197,0.204,0.675,0.781,0.744,0.68,0.73,0.813,0.375,0.247,0.278,0.365,0.292,0.269,115.847,74.21,87.181,113.086,91.984,74.264,4,0.304,89.073,73.73,73.73
18,SO2Me,OMe.NH-Ph.S-R',Yes,SO2Me,OMe,NH-Ph,S-R',OMe.NH-Ph,0.72,0.0494,1.306273051,1.59143,2.532649445,0.31384,0.197206286,3.186336987,0.503291705,0.800953518,0.316251236,8.2,67.24,2.6,6.76,2.11,4.4521,1.22,1.4884,1.77,3.1329,1.63,2.6569,1.24,1.5376,2.09,4.3681,2.24,5.0176,1.75,3.0625,2.503355556,6.266789038,36,11.34,0.49,83.55,449.82,15.7,8.01,102.3,288.82,44.67,17.46,103.26,7.2,93.18,259.8,690.8,1.636,49.9,1.32,36.93,6,91.93,5,557.45,0e+0,83.93,2.12,0.93,2.12,2.12,2.12,2.12,2.12,2.12,9.59,-3.69,-2.31,-2.32,-2.44,-2.73,-2.86,-3.33,2.47,-1.9,0.21,0.07,75.29,4.57,1.58,343.44,8.38,26.79,41.55,28.36,58.42,0.65,1.01,0.69,2.43,41,24,43,26,16,36.5,0.423,3,3,5,0.116,11,17,17,3,1,1,126,344.444,146,301.333,18,16.989,1.882,2.03,0.243,52.5,8,33,115.691,126.417,0.273,6494,10952.111,6658,18502.667,23.721,12.7,1517,5.496,43.795,83.408,1219.7,84.799,4.653,5.011,6419,52.028,2255,12679,24.078,187.018,8246,1036.915,1036.959,1476.984,1106.111,1525.039,1.425,2.055,2.055,1.467,1.948,1.413,4.11,4.465,27.014,42.342,104.039,16.555,6.673,3.801,4.603,1.052,0.589,0.334,0.166,0.081,0.857,531,250,10.417,1.618,21.819,93,802,74,21,0.921,2.721,146.739,6,3.111,1.319,1.212,0.778,0.344,0.297,0.221,0.176,0.174,0.231,0.084,0.04,0.04,0.031,0.014,0.013,0.012,0.009,0.01,0.485,5295.215,1.886,187.585,258.303,836.585,40.809,36.945,18.847,4.911,8.446,0.454,0.943,0.689,1,0.958,8.43,87.072,0.971,13.366,9.863,83.115,626.617,690.236,3.971,94.186,548.819,624.124,0.312,183.8,925.521,1067.871,0.366,103.075,599.85,681.846,21.646,4.02,0.498,0.827,0.154,0.17,0.17,0.25,0.59,0.375,0.334,21.637,2.567,0.274,0.884,0.105,0.157,0.157,0.17,0.596,0.153,0.055,20.148,3.156,0.346,0.852,0.133,0.157,0.157,0.194,0.511,0.227,0.137,21.778,3.925,0.498,0.831,0.15,0.157,0.157,0.157,0.599,0.358,0.314,20.791,3.259,0.366,0.852,0.133,0.157,0.157,0.187,0.544,0.243,0.159,21.279,2.589,0.27,0.882,0.107,0.179,0.179,0.179,0.58,0.155,0.041,26.164,24.478,23.65,26.2,24.416,24.138,99.805,62.182,71.638,98.264,76.562,61.535,0.193,0.161,0.179,0.741,0.826,0.778,0.747,0.777,0.822,0.433,0.268,0.292,0.424,0.315,0.258,169.342,101.899,117.265,166.992,125.806,100.526,4.087,0.337,97.09,84.08,92.46
19,CH2py,OMe.NH-CH2-Py.H,No - added,2-picoline,OMe,NH-CH2-Py,H,OMe.NH-CH2-Ph,,0.19654,0.706549048,0.85324,0.728018498,0.09194,0.107753973,10.87665869,1.036495501,0.884379421,1.214776031,,,2.2,4.84,1.88,3.5344,0.97,0.9409,1.43,2.0449,1.12,1.2544,1.11,1.2321,1.89,3.5721,1.7,2.89,1.41,1.9881,1.797622222,3.231445654,30.95,11.49,0.6,62.3,380.1,15.45,7.52,63.64,248.81,43.07,15.68,89.32,6.38,107.16,297,775.2,1641,46.4,1.19,42.48,5,62.3,6,533.23,0e+0,80.92,4.1,2.45,0.8,3.48,4.09,4.1,4.1,4.1,10.43,-3.92,-1.07,-1.83,-2.68,-3.02,-3.15,-3.63,2.76,-1.2,0.02,0.21,97.04,4.7,2.71,280.36,7.58,24.07,37.04,25.05,44.33,0.65,1,0.68,2.11,37,21,39,23,14,31.5,0.478,3,3,5,0.128,11,16,16,1,1,0,106,284,122,298,14,15.89,2.066,2.131,0.251,45,5,26,96.286,100,0.282,4609,7533,4819,12483,21.192,5.687,1050,5,37.246,68.071,871.4,68.855,4.439,5.011,4039,43.796,1671,9276,17.948,133.979,5545,784.095,784.181,1077.801,786.272,1153.113,1.404,1.874,1.874,1.374,1.869,1.285,0.923,1.864,12.063,22.391,92.239,13.649,6.417,3.229,4.171,0.872,0.558,0.33,0.182,0.087,1,433,200,9.524,1.451,17.905,71,609,69,3,0.627,2.701,122.222,3,1.778,0.882,0.821,0.393,0.253,0.167,0.131,0.071,0.023,0.13,0.059,0.034,0.034,0.019,0.013,0.009,0.008,0.005,0.002,0.314,3892.021,1.895,162.215,210.38,670.046,36.219,28.112,14.265,4.121,6.936,0.433,0.89,0.417,0.984,0.585,3.25,76.857,0.946,13.343,1.286,100.869,304.923,387.276,3.964,117.764,345.548,437.916,0.129,215.8,562.46,723.949,0.287,127.646,366.912,466.054,14.691,5.163,0.757,0.713,0.25,0.175,0.21,0.27,0.646,0.45,0.274,12.691,3.905,0.391,0.747,0.23,0.161,0.175,0.202,0.49,0.26,0.073,13.841,4.351,0.526,0.739,0.232,0.175,0.175,0.202,0.58,0.323,0.133,14.454,5.094,0.733,0.713,0.251,0.161,0.169,0.202,0.625,0.437,0.258,14.091,4.518,0.568,0.735,0.236,0.161,0.175,0.25,0.6,0.348,0.155,12.522,3.745,0.347,0.754,0.225,0.185,0.185,0.185,0.478,0.24,0.058,20.611,16.987,18.718,20.28,19.177,16.614,90.884,56.042,69.788,87.951,74.238,52.541,0.215,0.179,0.185,0.569,0.621,0.609,0.569,0.602,0.631,0.457,0.275,0.345,0.44,0.368,0.258,168.927,92.402,120.184,162.207,129.589,85.439,3.907,0.331,83.86,62.83,62.83
20,Me,OMe.NH.Alkyl,Yes,Me,OMe,NH,alkyl,OMe.NH,,0.34586,0.461099663,1.29565,1.678708923,0.03698,0.028541659,27.04164413,1.432033093,1.855413677,1.105262296,7,49,1.3,1.69,1.03,1.0609,0.58,0.3364,1.2,1.44,0.25,0.0625,0.82,0.6724,1.73,2.9929,1.15,1.3225,0.95,0.9025,1.105588889,1.222326791,22.26,11.68,0.02,49.41,283.98,15.45,7.91,96.62,187.64,36.16,12.76,71,5.98,58.32,171.5,432.8,1.595,40.5,1.18,23.12,4,49.41,3,345.46,6e-5,58.95,1.58,0.6,-1.52,-1.52,-1.48,-1.35,-1.27,-0.91,11.7,-2.24,-0.95,-0.97,-0.97,-0.98,-0.99,-1.03,1.58,-2.7,0.42,0.09,48.32,3.29,3.78,203.27,7.26,17.48,28.05,18.28,32.17,0.62,1,0.65,2.14,28,15,29,16,8,21.5,0.313,2,2,3,0.103,5,13,11,1,0,0,74,204,86,212,10,10.633,1.915,2.032,0.307,32.5,4,18,58.213,49.6,0.276,1582,2657,1514,4007,15.089,6.369,372,3.543,25.366,42.574,300.8,16.862,2.316,3.219,1027,29.479,615,2463,13.134,65.856,1476,275.214,275.253,387.671,275.895,415.309,1.88,2.536,2.536,1.857,2.53,1.742,0.894,1.729,8.431,14.164,58.603,10.051,4.36,1.97,2.922,0.883,0.55,0.338,0.197,0.095,1,194,94,6.267,1.084,9.227,36,204,35,10,1.296,2.206,81.254,2.5,1.556,0.819,0.83,0.358,0.111,0.082,0.031,0,0,0.156,0.074,0.046,0.046,0.026,0.011,0.014,0.016,0,0,0.388,1828.335,2.281,107.167,130.595,385.717,27.551,19.18,10.179,3.145,5.552,0.445,0.93,0.364,0.99,0.836,2.47,57.045,0.963,7.405,2.439,51.43,118.596,165.901,5.6,64.207,141.725,198.957,0.074,131.447,256.511,370.533,0.394,71.208,153.333,216.364,9.029,4.464,0.324,0.653,0.323,0.193,0.172,0.193,0.508,0.424,0.325,6.98,2.823,0.121,0.703,0.284,0.172,0.202,0.244,0.318,0.169,0.044,7.944,3.436,0.199,0.686,0.297,0.172,0.193,0.202,0.402,0.253,0.122,8.834,4.375,0.311,0.653,0.324,0.172,0.172,0.193,0.487,0.408,0.297,8.191,3.646,0.223,0.679,0.302,0.172,0.183,0.202,0.426,0.286,0.154,6.753,2.569,0.09,0.718,0.273,0.204,0.204,0.228,0.302,0.138,0.024,13.817,9.924,11.58,13.52,12.061,9.411,44.682,20.89,29.569,42.753,32.51,18.182,0.186,0.204,0.212,0.48,0.555,0.529,0.48,0.519,0.576,0.419,0.177,0.259,0.397,0.288,0.155,71.572,33.198,46.591,68.277,51.244,29.147,3.17,0.496,61.777,49.94,49.94
21,Et,OMe.NH.Alkyl,No,Et,OMe,NH,alkyl,OMe.NH,,0.09208,1.035834689,1.07582,1.157388672,0.21498,0.199828968,4.651595497,0.667601941,0.718219521,0.620551711,7.7,59.29,1.7,2.89,1.55,2.4025,1.01,1.0201,1.58,2.4964,0.6,0.36,1.1,1.21,2.22,4.9284,1.57,2.4649,1.32,1.7424,1.752588889,3.071567813,24.1,11.71,0.37,49.41,314.72,15.45,7.96,97.83,204.43,40.33,13.71,75.87,6.74,62.93,187.6,471.4,1.585,39.8,1.15,24.94,4,49.41,4,358.23,3e-5,60.37,1.96,1.13,-1.14,-1.14,-1.1,-0.97,-0.89,-0.52,11.49,-2.42,-1.31,-1.34,-1.35,-1.39,-1.41,-1.58,1.73,-2.6,0.3,0.2,52.87,3.32,4.33,217.3,7.01,19.08,30.93,20.04,33.67,0.62,1,0.65,2.1,31,16,32,17,8,22.5,0.294,2,2,4,0.125,5,15,12,1,0,0,78,208,90,218,10,11.326,1.92,2.03,0.297,34.5,4,19,64.362,57.25,0.28,1930,3121,1855,4560,16.178,6.76,458,3.817,27.05,46.315,378.4,19.926,2.633,3.219,1358,31.527,728,3035,14.985,78.032,1745,343.393,343.439,482.156,344.276,516.809,1.843,2.464,2.464,1.796,2.458,1.683,0.884,1.773,9.083,16.342,64,11.018,5.033,2.384,3.466,0.93,0.547,0.329,0.186,0.094,0.8,229,111,6.938,1.195,11,42,244,44,11,1.5,2.311,89.063,2.5,1.556,0.819,0.83,0.358,0.207,0.082,0.031,0.025,0,0.147,0.071,0.043,0.044,0.022,0.016,0.01,0.008,0.012,0,0.373,2391.874,2.34,125.791,154.314,470.797,30.374,20.487,10.748,3.372,6.476,0.457,0.934,0.347,0.986,0.856,2.29,63.303,0.963,7.404,5.278,67.62,142.539,205.707,5.979,81.785,178.641,252.383,0.116,159.992,327.489,466.8,0.413,89.915,194.775,275.168,10.508,4.9,0.349,0.667,0.311,0.186,0.168,0.285,0.55,0.418,0.348,7.915,3.455,0.122,0.689,0.301,0.186,0.168,0.273,0.319,0.19,0.042,9.209,4.019,0.211,0.685,0.299,0.186,0.168,0.23,0.424,0.272,0.126,10.253,4.837,0.334,0.665,0.314,0.168,0.168,0.24,0.523,0.407,0.319,9.519,4.212,0.237,0.681,0.302,0.168,0.186,0.211,0.452,0.302,0.161,7.558,3.224,0.086,0.695,0.297,0.2,0.222,0.242,0.295,0.159,0.021,15.758,11.492,13.438,15.424,13.969,10.867,56.869,28.738,39.795,54.64,43.355,25.29,0.207,0.204,0.221,0.5,0.533,0.528,0.497,0.522,0.543,0.438,0.184,0.274,0.416,0.305,0.158,90.583,43.577,61.025,86.641,66.84,38.25,3.17,0.451,66.525,49.94,49.94
22,Pr,OMe.NH.Alkyl,Yes,Pr,OMe,NH,alkyl,OMe.NH,,0.02736,1.562883907,1.03739,1.076178012,0.51685,0.498221498,1.93479733,0.286635479,0.29735278,0.276304456,8.5,72.25,2,4,2.03,4.1209,1.48,2.1904,2.08,4.3264,1.13,1.2769,1.37,1.8769,2.71,7.3441,1.93,3.7249,1.85,3.4225,2.5792,6.65227264,25.94,11.73,0.89,49.41,344.78,15.45,8.01,100.35,221.22,41.63,14.4,80.74,6.26,67.53,203.7,510.1,1.577,39.2,1.13,26.77,4,49.41,5,371.23,1e-5,61.82,2.34,1.67,-0.76,-0.76,-0.72,-0.59,-0.51,-0.14,11.24,-2.63,-1.65,-1.7,-1.71,-1.76,-1.8,-2,1.87,-2.4,0.2,0.33,57.07,3.37,5.49,231.33,6.8,20.68,33.82,21.8,35.17,0.61,0.99,0.64,2.07,34,17,35,18,8,23.5,0.278,2,2,5,0.143,5,17,13,1,0,0,82,212,94,222,10,12.019,1.925,2.028,0.288,36.5,4,20,70.752,65.882,0.286,2344,3671,2264,5221,17.275,7.136,560,4.118,28.707,50.033,472,23.433,3.083,3.219,1791,33.532,857,3736,16.855,91.482,2049,427.571,427.624,592.641,428.657,634.31,1.795,2.367,2.367,1.734,2.361,1.625,0.877,1.807,9.588,18.952,69.487,11.989,5.731,2.798,4.042,0.961,0.544,0.323,0.18,0.088,1,272,132,7.765,1.308,12.934,47,321,55,12,1.688,2.498,97.086,2.5,1.556,0.819,0.83,0.358,0.207,0.154,0.031,0.025,0.02,0.139,0.068,0.041,0.041,0.021,0.014,0.014,0.005,0.006,0.01,0.359,3091.155,2.37,145.073,181.833,568.099,33.418,21.718,11.316,3.672,7.169,0.459,0.94,0.404,0.989,0.765,2.82,69.637,0.963,7.405,7.554,72.922,194.986,263.151,7.904,87.05,248.645,326.66,0.183,167.516,455.159,598.894,0.517,95.334,271.812,356.366,13.424,4.639,0.366,0.728,0.252,0.164,0.173,0.289,0.57,0.395,0.373,10.09,3.573,0.123,0.732,0.259,0.18,0.18,0.211,0.323,0.221,0.041,11.843,3.955,0.218,0.739,0.247,0.164,0.188,0.255,0.443,0.28,0.132,13.108,4.602,0.352,0.726,0.255,0.164,0.173,0.195,0.543,0.389,0.343,12.244,4.102,0.247,0.738,0.247,0.164,0.164,0.236,0.474,0.304,0.169,9.602,3.413,0.082,0.733,0.261,0.197,0.197,0.236,0.295,0.195,0.018,18.429,13.786,16.016,18.061,16.593,13.097,68.888,37.726,50.284,66.545,54.263,33.841,0.202,0.19,0.209,0.593,0.598,0.609,0.589,0.607,0.6,0.446,0.195,0.285,0.425,0.316,0.169,110.125,55.936,76.524,105.812,83.261,49.623,3.17,0.411,71.049,49.94,49.94
23,Bu,OMe.NH.Alkyl,Yes,Bu,OMe,NH,alkyl,OMe.NH,,0.0116,1.935542011,0.85699,0.73443186,0.74289,0.86685959,1.346094307,0.129075488,0.110616402,0.150614929,9.3,86.49,2.4,5.76,2.46,6.0516,1.94,3.7636,2.64,6.9696,1.58,2.4964,1.63,2.6569,3.2,10.24,2.5,6.25,2.21,4.8841,3.640366667,13.25226947,27.79,11.76,1.34,49.41,373.06,15.45,8.06,53.35,233.16,44.21,13.71,87.5,5.53,72.14,219.8,548.7,1.57,38.7,1.11,28.6,4,49.41,6,348.33,4e-6,63.3,2.56,2.2,-0.54,-0.54,-0.5,-0.36,-0.29,0.08,11.23,-2.92,-2.02,-2.06,-2.07,-2.12,-2.16,-2.36,2.01,-2.3,0.16,0.46,55.3,3.35,6.59,245.36,6.63,22.28,36.7,23.56,36.67,0.6,0.99,0.64,2.04,37,18,38,19,8,24.5,0.263,2,2,6,0.158,5,19,14,1,0,0,86,216,98,226,10,12.712,1.929,2.026,0.28,38.5,4,21,77.343,75.444,0.293,2828,4311,2745,5994,18.37,7.501,679,4.438,30.347,53.747,582.6,27.36,3.597,3.219,2343,35.513,1003,4583,18.737,106.158,2389,528.75,528.809,720.126,530.038,768.811,1.744,2.261,2.261,1.675,2.256,1.571,0.872,1.833,9.907,21.568,75.059,12.963,6.452,3.271,4.646,0.99,0.542,0.319,0.176,0.084,0.833,320,155,8.611,1.389,14.889,53,404,66,13,1.863,2.558,105.285,2.5,1.556,0.819,0.83,0.358,0.207,0.154,0.087,0.025,0.02,0.132,0.065,0.039,0.04,0.02,0.013,0.012,0.01,0.004,0.005,0.338,3893.345,2.406,165.349,210.451,673.425,36.401,22.936,11.886,3.976,8.038,0.466,0.946,0.449,0.989,0.715,3.29,75.902,0.963,7.404,9.374,80.912,254.447,330.311,8.889,96.318,323.301,409.59,0.232,183.15,587.942,744.21,0.562,105.248,353.159,446.366,15.982,4.649,0.381,0.761,0.221,0.189,0.175,0.26,0.61,0.404,0.392,12.402,3.767,0.123,0.761,0.231,0.175,0.169,0.359,0.37,0.255,0.04,14.323,4.065,0.225,0.77,0.218,0.161,0.175,0.26,0.491,0.304,0.137,15.653,4.624,0.366,0.758,0.224,0.189,0.161,0.26,0.585,0.4,0.362,14.755,4.189,0.255,0.769,0.218,0.161,0.175,0.28,0.521,0.325,0.176,11.833,3.664,0.078,0.76,0.235,0.193,0.193,0.247,0.339,0.235,0.016,21.012,16.292,18.612,20.644,19.199,15.576,82.157,48.708,62.356,79.807,66.643,44.573,0.205,0.22,0.21,0.641,0.642,0.654,0.637,0.653,0.64,0.469,0.222,0.311,0.449,0.341,0.197,131.478,70.743,94.065,126.956,101.622,63.543,3.17,0.374,75.65,49.94,49.94
24,Pen,OMe.NH.Alkyl,Yes,Pen,OMe,NH,alkyl,OMe.NH,,0.00648,2.188424994,1.17753,1.386576901,1.45658,1.2369791,0.686539703,-0.163334342,-0.192331088,-0.138709283,10.2,104.04,2.8,7.84,2.99,8.9401,2.41,5.8081,3.14,9.8596,2.04,4.1616,1.89,3.5721,3.69,13.6161,3.07,9.4249,2.75,7.5625,4.912744444,24.13505798,29.63,11.77,1.78,49.41,404.24,15.45,8.09,56.74,250.35,37.72,17.43,92.15,5.63,76.75,235.9,587.3,1.564,38.3,1.04,30.42,4,49.41,7,397.44,2e-6,64.79,3.58,2.73,0.48,0.48,0.52,0.66,0.73,1.1,11.3,-3.4,-2.32,-2.41,-2.42,-2.47,-2.49,-2.67,2.15,-1.9,0.04,0.58,83.3,4,7.56,259.39,6.48,23.87,39.59,25.32,38.17,0.6,0.99,0.63,2.01,40,19,41,20,8,25.5,0.25,2,2,7,0.171,5,21,15,1,0,0,90,220,102,230,10,13.405,1.932,2.025,0.273,40.5,4,22,84.101,85.895,0.3,3386,5045,3302,6883,19.454,7.855,816,4.772,31.977,57.472,711.2,31.686,4.137,3.219,3032,37.477,1167,5594,20.628,122.022,2766,647.929,647.994,865.611,649.419,921.311,1.693,2.157,2.157,1.619,2.152,1.522,0.868,1.855,10.132,24.28,80.711,13.94,7.193,3.739,5.277,1.015,0.54,0.315,0.173,0.082,1,370,179,9.421,1.496,17.047,60,492,77,14,2.025,2.721,113.629,2.5,1.556,0.819,0.83,0.358,0.207,0.154,0.087,0.069,0.02,0.125,0.062,0.037,0.038,0.019,0.012,0.011,0.008,0.008,0.003,0.323,4850.695,2.428,186.132,242.535,790.55,39.528,24.13,12.455,4.325,8.738,0.467,0.951,0.525,0.994,0.834,4.26,82.326,0.963,7.404,10.895,82.759,339.491,416.918,10.41,98.619,427.667,515.292,0.266,187.2,771.06,928.343,0.641,107.737,466.306,560.775,19.439,4.364,0.393,0.803,0.18,0.158,0.171,0.316,0.608,0.381,0.411,15.635,3.669,0.123,0.805,0.189,0.171,0.183,0.255,0.394,0.265,0.04,17.707,3.878,0.23,0.812,0.178,0.158,0.158,0.246,0.505,0.299,0.141,19.101,4.351,0.378,0.802,0.183,0.158,0.171,0.216,0.587,0.379,0.381,18.167,3.977,0.262,0.811,0.177,0.158,0.158,0.283,0.532,0.316,0.182,15.055,3.599,0.075,0.804,0.192,0.191,0.191,0.224,0.367,0.252,0.015,24.196,19.427,21.815,23.83,22.406,18.729,94.183,59.741,73.627,91.972,78.046,55.581,0.205,0.2,0.201,0.705,0.707,0.718,0.702,0.716,0.706,0.467,0.233,0.315,0.449,0.343,0.211,151.693,86.213,111.24,147.204,119.364,78.359,3.17,0.341,80.251,49.94,49.94
25,Hex,OMe.NH.Alkyl,Yes,Hex,OMe,NH,alkyl,OMe.NH,,0.005,2.301029996,1.18867,1.412936369,1.50389,1.265187142,0.66494225,-0.177216072,-0.210651428,-0.149087696,10.9,118.81,3.2,10.24,3.52,12.3904,2.87,8.2369,3.65,13.3225,2.5,6.25,2.14,4.5796,4.18,17.4724,3.64,13.2496,3.29,10.8241,6.366844444,40.53670818,31.47,11.79,2.23,49.41,434.81,15.45,8.13,57.69,267.32,45.56,17.43,98.55,5.94,81.36,252,625.9,1.558,38,1.01,32.25,4,49.41,8,410.5,6e-7,66.28,3.75,3.26,0.65,0.65,0.69,0.83,0.9,1.27,11.28,-3.72,-2.73,-2.76,-2.77,-2.82,-2.85,-3.03,2.29,-1.8,0.04,0.64,84.47,4.04,8.67,273.42,6.36,25.47,42.47,27.09,39.67,0.59,0.99,0.63,1.98,43,20,44,21,8,26.5,0.238,2,2,8,0.182,5,23,16,1,0,0,94,224,106,234,10,14.099,1.935,2.024,0.266,42.5,4,23,91.003,97.2,0.306,4022,5877,3939,7892,20.525,8.201,972,5.116,33.602,61.214,858.8,36.395,4.688,3.219,3877,39.432,1350,6788,22.527,139.045,3181,786.107,786.18,1030.095,787.8,1092.812,1.645,2.059,2.058,1.569,2.054,1.479,0.865,1.872,10.308,27.118,86.439,14.919,7.952,4.263,5.932,1.038,0.538,0.312,0.17,0.081,0.857,424,205,10.25,1.575,19.12,68,584,88,15,2.177,2.771,122.098,2.5,1.556,0.819,0.83,0.358,0.207,0.154,0.087,0.069,0.057,0.119,0.06,0.036,0.036,0.018,0.012,0.01,0.007,0.006,0.006,0.31,5938.429,2.452,207.621,276.206,916.617,42.633,25.318,13.023,4.672,9.562,0.472,0.956,0.578,0.997,0.871,5.11,88.728,0.963,7.404,12.302,88.054,433.274,515.721,11.214,105.531,539.766,633.333,0.295,199.64,965.713,1132.392,0.676,115.284,587.3,688.082,22.671,4.322,0.403,0.828,0.158,0.156,0.201,0.342,0.621,0.383,0.427,18.945,3.708,0.123,0.832,0.163,0.156,0.178,0.385,0.436,0.283,0.039,20.98,3.885,0.235,0.836,0.155,0.156,0.168,0.369,0.534,0.312,0.145,22.351,4.313,0.388,0.826,0.159,0.156,0.276,0.276,0.604,0.381,0.396,21.431,3.973,0.268,0.835,0.155,0.156,0.168,0.369,0.557,0.326,0.188,18.384,3.664,0.071,0.831,0.166,0.188,0.188,0.219,0.412,0.274,0.013,27.396,22.776,25.1,27.052,25.672,22.119,108.853,73.035,87.34,106.744,91.937,68.934,0.22,0.22,0.198,0.741,0.748,0.754,0.739,0.752,0.747,0.477,0.253,0.33,0.46,0.357,0.233,175.724,104.427,131.571,171.203,140.386,95.865,3.17,0.311,84.852,49.94,49.94
26,Hep,OMe.NH.Alkyl,Yes,Hep,OMe,NH,alkyl,OMe.NH,,0.00451,2.345823458,1.51257,2.287868005,1.52398,1.007543453,0.65617659,-0.182979268,-0.276768951,-0.120972429,11.5,132.25,3.6,12.96,4.02,16.1604,3.33,11.0889,4.15,17.2225,2.95,8.7025,2.38,5.6644,4.67,21.8089,4.21,17.7241,3.83,14.6689,7.993322222,63.89320015,33.32,11.72,2.67,49.41,464.71,15.45,7.99,60.54,284.16,39.34,20.08,103.23,6.75,85.97,268.1,664.5,1.554,37.7,1.07,34.08,4,49.41,9,423.47,2e-7,67.78,4.64,3.79,1.54,1.54,1.58,1.72,1.8,2.16,11.27,-4.92,-3.05,-3.11,-3.12,-3.16,-3.19,-3.38,2.43,-1.6,0.01,0.89,90.12,4.39,9.94,287.45,6.25,27.07,45.35,28.85,41.17,0.59,0.99,0.63,1.96,46,21,47,22,8,27.5,0.227,2,2,9,0.191,5,25,17,1,0,0,98,228,110,238,10,14.792,1.938,2.023,0.26,44.5,4,24,98.031,109.333,0.313,4740,6811,4660,9025,21.581,8.539,1148,5.467,35.222,64.979,1026.4,41.474,5.242,3.219,4898,41.38,1553,8185,24.431,157.205,3635,944.286,944.365,1214.58,946.18,1284.313,1.599,1.968,1.968,1.524,1.964,1.44,0.863,1.887,10.446,30.08,92.239,15.9,8.728,4.779,6.608,1.059,0.536,0.309,0.168,0.08,1,480,232,11.048,1.673,21.397,77,679,99,16,2.319,2.915,130.672,2.5,1.556,0.819,0.83,0.358,0.207,0.154,0.087,0.069,0.057,0.114,0.058,0.034,0.035,0.017,0.011,0.01,0.007,0.006,0.005,0.295,7201.489,2.467,229.551,313.108,1054.226,45.836,26.496,13.591,5.047,10.257,0.472,0.96,0.64,1,0.745,6.42,95.257,0.963,7.405,13.517,89.104,552.437,635.659,12.382,107.129,681.916,776.125,0.319,202.897,1211.632,1378.559,0.736,117.083,740.557,841.922,26.621,4.079,0.411,0.856,0.131,0.153,0.174,0.246,0.614,0.362,0.441,22.982,3.577,0.122,0.861,0.134,0.153,0.153,0.329,0.459,0.282,0.039,24.97,3.702,0.239,0.864,0.128,0.153,0.153,0.329,0.541,0.301,0.148,26.319,4.077,0.397,0.855,0.132,0.153,0.164,0.307,0.6,0.361,0.41,25.411,3.774,0.272,0.863,0.128,0.153,0.153,0.353,0.56,0.313,0.193,22.489,3.548,0.068,0.861,0.136,0.185,0.201,0.229,0.44,0.276,0.012,31.112,26.681,28.911,30.793,29.458,26.105,121.224,85.463,99.274,119.364,103.861,81.575,0.187,0.198,0.204,0.783,0.792,0.796,0.782,0.794,0.792,0.472,0.26,0.33,0.457,0.355,0.243,197.005,122.206,150.231,192.711,159.433,113.136,3.17,0.284,89.453,49.94,49.94
27,Oct,OMe.NH.Alkyl,Yes,Oct,OMe,NH,alkyl,OMe.NH,,0.00312,2.505845406,1.0697,1.14425809,2.63126,2.459811162,0.380046062,-0.420163764,-0.449449178,-0.392786542,12.1,146.41,4,16,4.79,22.9441,3.8,14.44,4.66,21.7156,3.41,11.6281,3.53,12.4609,5.16,26.6256,4.77,22.7529,4.37,19.0969,10.52305556,110.7346982,35.16,11.72,3.12,49.41,494.69,15.45,7.99,61.69,301.22,50.98,18.56,109.11,6.42,90.58,284.2,703.1,1.55,37.4,1.06,35.91,4,49.41,10,436.32,8e-8,69.27,5.25,4.32,2.15,2.15,2.19,2.33,2.41,2.77,11.23,-5.18,-3,-3.45,-3.46,-3.51,-3.54,-3.73,2.57,-1.6,0.01,1.01,91.64,4.46,11.4,301.48,6.15,28.67,48.24,30.61,42.67,0.59,0.98,0.62,1.94,49,22,50,23,8,28.5,0.217,2,2,10,0.2,5,27,18,1,0,0,102,232,114,242,10,15.485,1.941,2.022,0.254,46.5,4,25,105.17,122.273,0.319,5544,7851,5469,10286,22.622,8.871,1345,5.823,36.84,68.77,1215,46.912,5.794,3.219,6116,43.325,1777,9806,26.34,176.484,4129,1123.464,1123.55,1420.065,1125.561,1496.813,1.557,1.887,1.887,1.484,1.883,1.406,0.861,1.899,10.557,33.18,98.107,16.883,9.519,5.348,7.305,1.079,0.534,0.306,0.166,0.079,0.875,540,261,11.864,1.798,23.752,87,776,110,17,2.453,2.959,139.338,2.5,1.556,0.819,0.83,0.358,0.207,0.154,0.087,0.069,0.057,0.109,0.056,0.033,0.033,0.016,0.01,0.009,0.006,0.005,0.005,0.282,8620.839,2.482,252.041,351.871,1201.311,49.033,27.673,14.161,5.418,11.046,0.475,0.964,0.682,1,0.821,7.59,101.78,0.963,7.404,14.705,93.346,682.948,770.141,13.012,113.106,835.379,934.604,0.34,214.072,1475.607,1650.685,0.764,123.692,905.612,1012.363,30.452,4.035,0.419,0.872,0.116,0.151,0.18,0.462,0.617,0.359,0.453,27.11,3.571,0.122,0.88,0.116,0.151,0.151,0.393,0.491,0.289,0.038,28.918,3.685,0.242,0.88,0.112,0.161,0.19,0.378,0.558,0.307,0.151,30.187,4.034,0.404,0.872,0.116,0.151,0.151,0.364,0.606,0.359,0.422,29.323,3.751,0.277,0.879,0.112,0.161,0.317,0.408,0.573,0.317,0.197,26.702,3.555,0.066,0.881,0.117,0.183,0.183,0.253,0.477,0.287,0.011,34.905,30.803,32.844,34.625,33.351,30.323,137.316,100.548,114.441,135.601,119.153,96.904,0.233,0.208,0.204,0.809,0.82,0.821,0.808,0.819,0.821,0.477,0.273,0.339,0.462,0.363,0.258,223.692,143.174,173.07,219.443,182.929,133.45,3.17,0.259,94.054,49.94,49.94
28,Non,OMe.NH.Alkyl,Yes,Non,OMe,NH,alkyl,OMe.NH,,0.0038,2.420216403,1.09531,1.199703996,1.63283,1.490746912,0.612433628,-0.212940971,-0.233236375,-0.194411601,12.6,158.76,4.4,19.36,5.1,26.01,4.26,18.1476,5.16,26.6256,3.86,14.8996,3.76,14.1376,5.66,32.0356,5.34,28.5156,4.91,24.1081,12.56871111,157.972499,37.01,11.72,3.56,49.41,526.27,15.45,7.99,64.48,318.11,40.72,22.48,114.56,7.11,95.9,300.3,741.7,1.546,37.2,1.05,37.73,4,49.41,11,449.03,3e-8,70.76,6.3,4.85,3.2,3.2,3.24,3.37,3.45,3.82,11.21,-5.71,-3.74,-3.78,-3.8,-3.84,-3.88,-4.07,2.71,-2.1,0.01,-0.49,99.79,4.54,13.08,315.51,6.07,30.26,51.12,32.37,44.17,0.58,0.98,0.62,1.92,52,23,53,24,8,29.5,0.208,2,2,11,0.208,5,29,19,1,0,0,106,236,118,246,10,16.178,1.944,2.021,0.249,48.5,4,26,112.41,136,0.325,6438,9001,6370,11679,23.648,9.195,1564,6.182,38.457,72.589,1425.6,52.7,6.341,3.219,7553,45.267,2023,11673,28.254,196.868,4664,1324.643,1324.735,1647.55,1326.942,1731.314,1.519,1.815,1.814,1.449,1.811,1.377,0.86,1.91,10.649,36.42,104.042,17.867,10.323,5.906,8.019,1.096,0.533,0.304,0.164,0.079,1,602,291,12.652,1.958,26.087,98,874,121,18,2.58,3.088,148.086,2.5,1.556,0.819,0.83,0.358,0.207,0.154,0.087,0.069,0.057,0.104,0.054,0.032,0.032,0.016,0.01,0.009,0.006,0.005,0.004,0.27,10236.245,2.493,274.926,393.702,1359.78,52.299,28.843,14.729,5.806,11.735,0.475,0.967,0.728,1,0.924,9.26,108.403,0.963,7.405,15.727,94.098,839.724,927.397,13.944,114.42,1020.292,1119.88,0.357,217.005,1793.457,1968.47,0.811,125.209,1104.501,1211.558,34.901,3.831,0.425,0.891,0.098,0.149,0.209,0.419,0.61,0.341,0.465,31.86,3.442,0.122,0.899,0.097,0.149,0.159,0.339,0.509,0.283,0.038,33.482,3.521,0.245,0.899,0.095,0.149,0.167,0.362,0.562,0.295,0.154,34.673,3.834,0.411,0.891,0.099,0.149,0.163,0.339,0.602,0.341,0.433,33.851,3.578,0.28,0.898,0.095,0.149,0.149,0.389,0.574,0.304,0.201,31.578,3.435,0.063,0.9,0.098,0.181,0.181,0.246,0.5,0.283,0.01,39.158,35.424,37.248,38.918,37.709,35.076,150.181,113.976,126.96,148.762,131.598,110.661,0.236,0.2,0.201,0.837,0.849,0.848,0.836,0.847,0.85,0.472,0.277,0.337,0.459,0.36,0.264,246.209,162.766,193.084,242.282,203.246,152.562,3.17,0.235,98.655,49.94,49.94
29,Dec,OMe.NH.Alkyl,Yes,Dec,OMe,NH,alkyl,OMe.NH,,0.0053,2.27572413,1.32819,1.764088676,1.53735,1.157477469,0.650469965,-0.186772752,-0.248069702,-0.140622014,13.1,171.61,4.8,23.04,5.36,28.7296,4.73,22.3729,5.67,32.1489,4.32,18.6624,3.99,15.9201,6.15,37.8225,5.91,34.9281,5.45,29.7025,14.79478889,218.8857783,38.85,11.72,4.01,49.41,557.3,15.45,7.99,65.24,375.26,53.32,21.02,121.23,6.9,99.8,316.3,780.3,1.543,37,1.04,39.56,4,49.41,12,461.6,1e-8,72.25,6.28,5.39,3.18,3.18,3.22,3.36,3.44,3.8,11.21,-5.99,-4.08,-4.11,-4.13,-4.17,-4.21,-4.4,2.85,-2.1,0.01,-0.51,99.8,4.56,15,329.54,5.99,31.86,54,34.13,45.67,0.58,0.98,0.62,1.9,55,24,56,25,8,30.5,0.2,2,2,12,0.214,5,31,20,1,0,0,110,240,122,250,10,16.871,1.946,2.02,0.243,50.5,4,27,119.742,150.5,0.331,7426,10265,7367,13208,24.659,9.514,1806,6.543,40.073,76.436,1659.2,58.831,6.883,3.219,9232,47.208,2292,13809,30.171,218.343,5241,1548.822,1548.921,1898.035,1551.323,1988.815,1.485,1.75,1.75,1.418,1.747,1.351,0.858,1.919,10.727,39.799,110.039,18.852,11.14,6.514,8.751,1.112,0.531,0.302,0.163,0.078,0.889,668,323,13.458,2.087,28.542,110,972,132,19,2.699,3.126,156.904,2.5,1.556,0.819,0.83,0.358,0.207,0.154,0.087,0.069,0.057,0.1,0.052,0.03,0.031,0.015,0.009,0.008,0.005,0.005,0.004,0.259,12032.904,2.503,298.281,437.56,1528.067,55.566,30.014,15.298,6.19,12.498,0.477,0.97,0.759,1,0.866,10.73,115.026,0.963,7.405,16.798,97.801,1010.333,1101.441,14.451,119.881,1219.891,1323.984,0.373,227.452,2135.421,2317.872,0.833,131.293,1318.898,1430.822,39.304,3.792,0.431,0.903,0.087,0.147,0.172,0.551,0.61,0.337,0.475,36.721,3.421,0.122,0.912,0.085,0.147,0.147,0.413,0.533,0.286,0.038,38.055,3.498,0.248,0.91,0.084,0.147,0.156,0.504,0.573,0.297,0.156,39.126,3.795,0.417,0.903,0.088,0.147,0.147,0.429,0.604,0.337,0.443,38.37,3.552,0.284,0.909,0.084,0.147,0.147,0.504,0.582,0.305,0.205,36.576,3.421,0.061,0.913,0.085,0.179,0.179,0.24,0.53,0.287,0.009,43.528,40.264,41.801,43.338,42.205,40.057,167.628,130.501,143.42,166.372,148.166,127.537,0.241,0.208,0.198,0.854,0.868,0.866,0.854,0.864,0.87,0.474,0.286,0.342,0.461,0.364,0.275,275.421,186.042,218.19,271.575,229.019,175.164,3.17,0.214,103.256,49.94,49.94
30,Dodec,OMe.NH.Alkyl,Yes,Dodec,OMe,NH,alkyl,OMe.NH,,0.00731,2.136082623,1.15405,1.331831403,1.08997,0.94447381,0.917456444,-0.037414545,-0.043178255,-0.032420211,13.8,190.44,5.6,31.36,6.14,37.6996,5.66,32.0356,6.68,44.6224,5.23,27.3529,4.43,19.6249,7.13,50.8369,7.05,49.7025,6.54,42.7716,19.76635556,390.7088119,42.54,11.72,4.9,49.41,618.06,15.45,7.99,70.55,369.1,56.96,23.45,131.47,7.38,109.2,348.5,857.5,1.538,36.6,1.02,43.22,4,49.41,14,486.27,1e-9,75.19,7.02,6.45,3.92,3.92,3.96,4.1,4.18,4.54,11.2,-6.81,-4.72,-4.75,-4.77,-4.81,-4.85,-5.04,3.13,-2.6,0.01,-0.57,99.83,4.65,18.59,357.6,5.86,35.06,59.77,37.65,48.67,0.57,0.98,0.62,1.87,61,26,62,27,8,32.5,0.185,2,2,14,0.226,5,35,22,1,0,0,118,248,130,258,10,18.257,1.95,2.018,0.234,54.5,4,29,134.656,181.769,0.34,9700,13151,9665,16690,26.638,10.135,2363,7.271,43.303,84.219,2199.4,72.098,7.949,3.219,13413,51.09,2903,18985,34.016,264.532,6525,2070.179,2070.291,2472.005,2073.085,2576.816,1.425,1.642,1.642,1.365,1.639,1.307,0.856,1.934,10.852,46.981,122.211,20.827,12.805,7.752,10.257,1.141,0.529,0.298,0.16,0.077,0.9,808,391,15.038,2.346,33.811,135,1216,156,21,2.92,3.277,174.726,2.5,1.556,0.819,0.83,0.358,0.207,0.154,0.087,0.069,0.057,0.093,0.049,0.028,0.029,0.014,0.009,0.007,0.005,0.004,0.004,0.24,16266.067,2.516,346.112,533.314,1897.253,62.205,32.351,16.435,6.975,13.921,0.478,0.975,0.813,1,0.881,14.55,128.437,0.963,7.405,18.956,101.773,1422.756,1517.299,15.627,126.147,1703.374,1811.831,0.401,240.134,2963.298,3152.437,0.889,138.371,1838.262,1954.842,49.222,3.586,0.441,0.924,0.067,0.144,0.144,0.523,0.602,0.316,0.492,47.682,3.276,0.121,0.933,0.064,0.144,0.152,0.483,0.566,0.278,0.037,48.35,3.331,0.252,0.931,0.064,0.144,0.152,0.596,0.582,0.285,0.161,49.152,3.591,0.427,0.924,0.068,0.144,0.144,0.502,0.601,0.316,0.461,48.541,3.375,0.289,0.93,0.065,0.144,0.144,0.596,0.586,0.291,0.212,47.883,3.286,0.056,0.935,0.064,0.175,0.175,0.255,0.571,0.282,0.008,53.249,51.08,51.933,53.169,52.205,51.225,199.777,162.398,174.089,199.003,178.851,160.199,0.222,0.22,0.199,0.887,0.9,0.897,0.887,0.895,0.902,0.47,0.294,0.343,0.459,0.363,0.287,330.847,232.4,266.643,327.464,278.444,220.258,3.17,0.175,112.458,49.94,49.94
31,Iso,OMe.NH.Alkyl,Yes,Iso,OMe,NH,alkyl,OMe.NH,,0.01125,1.948847478,1.20205,1.444924203,0.94054,0.782446654,1.063219002,0.02662273,0.032001852,0.022147772,9.2,84.64,2.3,5.29,2.24,5.0176,1.82,3.3124,2.32,5.3824,1.45,2.1025,1.63,2.6569,3.13,9.7969,2.23,4.9729,2.29,5.2441,3.362133333,11.30394055,27.29,11.75,1.26,49.41,372.5,15.45,8.06,55.62,233.44,38.76,15.32,81.96,6.35,71.96,219,541.1,1.571,37.2,1.12,28.52,4,49.41,5,378.32,6e-6,62.62,2.73,2.01,-0.37,-0.37,-0.33,-0.19,-0.12,0.25,11.17,-2.71,-1.92,-1.95,-1.97,2.02,-2.06,-2.28,2.01,-2.2,0.13,0.54,55.83,3.38,6.18,245.36,6.63,22.28,36.7,23.56,37,0.6,0.99,0.64,2.06,37,18,38,19,8,24.5,0.263,2,2,5,0.132,5,19,14,1,0,0,88,218,100,228,11,12.425,1.862,1.994,0.284,38.5,5,21,76.983,73.778,0.285,2766,4229,2677,5886,18.244,9.042,664,4.34,30.613,54.25,567.6,26.656,3.477,3.219,2227,35.871,988,4440,19.058,105.933,2355,513.75,513.809,705.126,515.038,753.811,1.779,2.318,2.318,1.706,2.312,1.598,0.879,1.834,10.224,22.295,73.059,12.963,5.915,3.271,4.26,0.967,0.561,0.313,0.167,0.08,1,291,142,7.889,1.346,14.222,52,392,52,17,1.71,2.489,105.11,3.5,1.778,0.944,0.83,0.413,0.274,0.226,0.081,0.055,0.04,0.184,0.071,0.045,0.04,0.023,0.016,0.016,0.01,0.009,0.01,0.424,3705.615,2.523,169.107,200.304,660.119,35.682,23.326,11.885,3.763,6.887,0.431,0.909,0.4,0.971,0.757,2.9,75.449,0.963,7.405,8.901,80.847,220.645,292.375,8.335,97.28,279.69,360.556,0.204,187.299,508.189,655.469,0.533,106.632,305.331,392.668,13.573,4.582,0.567,0.725,0.245,0.161,0.175,0.21,0.632,0.396,0.346,10.645,3.666,0.223,0.732,0.252,0.161,0.175,0.169,0.383,0.238,0.054,12.219,3.967,0.368,0.738,0.24,0.175,0.161,0.182,0.506,0.288,0.147,13.301,4.558,0.545,0.723,0.248,0.175,0.161,0.161,0.607,0.392,0.319,12.57,4.096,0.409,0.736,0.24,0.189,0.161,0.182,0.537,0.31,0.182,10.2,3.543,0.167,0.733,0.255,0.193,0.193,0.193,0.351,0.216,0.03,18.722,14.534,16.555,18.405,17.074,13.91,72.487,42.222,54.436,70.366,58.296,38.435,0.181,0.168,0.193,0.587,0.599,0.607,0.584,0.604,0.6,0.458,0.225,0.314,0.439,0.343,0.199,126.479,65.464,88.833,121.825,96.428,58.388,3.17,0.374,75.521,49.94,49.94
32,31,OMe.NH.Alkyl,Yes,31,OMe,NH,alkyl,OMe.NH,,0.00668,2.175223538,1.05064,1.10384441,1.01452,0.965620955,0.985687813,-0.006260613,-0.00657765,-0.005958857,10,100,2.7,7.29,2.84,8.0656,2.28,5.1984,2.85,8.1225,1.84,3.3856,1.89,3.5721,3.62,13.1044,3.01,9.0601,2.64,6.9696,4.680244444,21.90468806,29.63,11.77,1.63,49.41,403.25,15.45,8.09,59.85,250.59,38.5,16.65,87.23,6.38,76.57,235,579.8,1.564,36.9,1.1,30.35,4,49.41,6,391.73,2e-6,64.14,2.98,2.54,-0.12,-0.11,-0.07,0.06,0.14,0.5,11.22,-3.17,-2.27,-2.31,-2.32,-2.37,-2.41,-2.61,2.15,-2.1,0.09,0.66,57.39,3.42,7.08,259.39,6.48,23.87,39.59,25.32,38.5,0.6,0.99,0.63,2.03,40,19,41,20,8,25.5,0.25,2,2,6,0.146,5,21,15,1,0,0,92,222,104,232,11,13.118,1.869,1.995,0.276,40.5,5,22,83.766,84.211,0.292,3320,4959,3230,6771,19.338,9.505,800,4.678,32.237,57.962,695.2,30.973,4.032,3.219,2898,37.826,1151,5433,20.953,121.834,2731,631.929,631.994,849.611,633.419,905.311,1.722,2.203,2.203,1.646,2.198,1.546,0.873,1.855,10.573,24.985,78.711,13.94,6.618,3.739,4.855,0.994,0.558,0.31,0.166,0.079,0.833,341,166,8.737,1.435,16.327,59,479,62,18,1.88,2.55,113.483,3.5,1.778,0.944,0.91,0.358,0.248,0.207,0.143,0.065,0.046,0.175,0.068,0.043,0.041,0.019,0.015,0.014,0.012,0.008,0.008,0.403,4665.323,2.518,189.786,233.266,778.612,38.931,24.459,12.455,4.146,7.7,0.439,0.927,0.493,0.979,0.726,3.94,81.917,0.963,7.404,10.529,82.402,306.535,380.142,9.437,100.017,384.365,467.916,0.254,192.733,689.417,841.242,0.581,109.743,418.52,508.79,17.189,4.37,0.537,0.778,0.198,0.171,0.158,0.223,0.661,0.389,0.365,14.036,3.566,0.203,0.788,0.2,0.158,0.158,0.202,0.438,0.248,0.052,15.781,3.819,0.344,0.791,0.192,0.158,0.158,0.177,0.555,0.29,0.148,16.899,4.352,0.517,0.776,0.2,0.158,0.158,0.183,0.639,0.386,0.338,16.16,3.932,0.384,0.789,0.192,0.171,0.158,0.177,0.582,0.309,0.185,13.566,3.474,0.147,0.789,0.202,0.191,0.191,0.241,0.409,0.23,0.027,22.096,17.805,19.945,21.768,20.476,17.187,86.701,53.623,67.019,84.529,71.253,49.622,0.182,0.172,0.206,0.667,0.682,0.687,0.665,0.684,0.684,0.472,0.246,0.331,0.454,0.359,0.222,149.139,81.597,107.7,144.299,116.113,73.715,3.17,0.341,80.198,49.94,49.94
33,(CH2)3OCH3,OMe.NH.alkyl-O-R,No - added,C3H6OMe,OMe,NH,alkyl-O-R,OMe.NH,,0.09767,1.010238812,0.96266,0.926714276,0.22351,0.232184262,4.473982647,0.650694295,0.62639737,0.675933658,,,1.7,2.89,1.5,2.25,0.98,0.9604,1.46,2.1316,0.19,0.0361,0.85,0.7225,1.94,3.7636,1.32,1.7424,1.16,1.3456,1.302733333,1.697114138,28.48,11.68,0.03,58.64,389.65,15.45,7.9,56.84,242.49,37.74,17.29,89.87,5.21,98.64,294.3,744.7,1585,40.9,1.14,39.1,5,58.64,8,492.85,7e-10,75.99,4.09,2.43,4.09,4.09,4.09,4.09,4.09,4.09,10.47,-3.9,-2.48,-2.49,-2.78,-3.24,-3.41,-3.88,2.67,-1.2,0.02,0.88,85.93,4.37,2.53,261.36,6.88,22.79,38.03,24.02,40.17,0.6,1,0.63,2.11,38,19,39,20,8,25.5,0.25,2,2,7,0.179,5,19,14,2,0,0,90,252,102,242,10,13.405,1.932,2.025,0.273,41.5,4,22,84.101,85.895,0.3,3386,5557,3302,8547,19.454,7.855,816,4.772,31.977,57.472,711.2,31.686,4.137,3.219,3032,37.477,1167,5594,20.628,122.022,2766,634.929,635.027,915.213,636.596,983.723,1.693,2.189,2.189,1.553,2.184,1.449,0.899,1.83,12.409,23.451,80.711,13.902,7.164,3.72,5.241,0.939,0.54,0.315,0.173,0.082,1,370,179,9.421,1.496,17.047,60,492,77,14,2.025,2.721,113.629,2.5,1.556,0.819,0.83,0.358,0.207,0.154,0.087,0.069,0.02,0.125,0.062,0.037,0.038,0.019,0.012,0.011,0.008,0.008,0.003,0.323,4294.706,2.367,170.072,226.037,713.221,37.538,24.572,12.763,4.32,8.543,0.474,0.952,0.522,0.993,0.819,4.21,78.154,0.963,7.404,6.872,81.261,333.116,409.301,10.871,94.093,382.683,466.747,0.05,178.727,710.204,862.033,0.716,102.476,414.488,504.925,18.542,4.387,0.371,0.796,0.188,0.174,0.174,0.229,0.568,0.377,0.384,15.198,3.611,0.116,0.803,0.191,0.16,0.16,0.32,0.382,0.255,0.037,16.596,3.887,0.22,0.802,0.188,0.16,0.16,0.264,0.456,0.294,0.134,18.322,4.346,0.354,0.796,0.189,0.16,0.16,0.214,0.554,0.37,0.348,17.025,3.998,0.25,0.8,0.188,0.174,0.174,0.285,0.48,0.311,0.174,14.668,3.565,0.074,0.801,0.195,0.191,0.191,0.367,0.356,0.248,0.015,23.3,18.925,20.703,23.022,21.274,18.307,89.849,57.061,69.009,87.639,73.339,53.64,0.191,0.202,0.237,0.694,0.705,0.702,0.694,0.7,0.702,0.443,0.225,0.295,0.424,0.322,0.206,143.333,82.339,103.897,138.818,111.661,75.803,3.17,0.393,77.686,59.17,59.17
34,H,OBn.NH-Ph.Alkyl,No,H,OBn,NH-Ph,alkyl,OBn.NH-Ph,,0.01565,1.805485658,1.32058,1.743931536,0.74379,0.563229793,1.344465508,0.128549665,0.169760116,0.097343338,11.5,132.25,4.7,22.09,4.4,19.36,3.53,12.4609,4.49,20.1601,3.69,13.6161,3.06,9.3636,5.23,27.3529,4.42,19.5364,4.01,16.0801,10.031,100.620961,39.64,12.06,3.38,49.41,461.99,15.45,8.74,77.38,306.66,50,15.43,117.95,5.3,104.29,293.2,763,1.629,45.8,1.16,41.34,4,49.41,6,532.99,0e+0,80.8,5.05,3.78,5.05,5.05,5.05,5.05,5.05,5.05,11.53,-4.41,-3.28,-3.28,-3.32,-3.43,-3.49,-3.82,2.66,-1.1,0.01,0.23,98.77,4.97,3.2,341.44,7.59,30.28,44.7,31.56,53,0.67,0.99,0.7,2.04,45,26,48,29,20,40.5,0.586,4,4,6,0.125,17,19,22,1,2,2,134,328,154,358,18,20.455,2.167,2.196,0.221,54.5,6,33,127.88,139.923,0.25,8096,12601,8703,20650,25.323,0,1819,5.597,48.067,93.643,1502.533,142.514,3.933,6.802,7489,57.131,3019,19145,21.063,199.747,11948,1368.893,1369.119,1936.008,1371.815,2068.861,1.281,1.697,1.697,1.194,1.693,1.116,0.997,2.543,11.714,28.643,110.211,16.431,7.894,4.152,4.989,0.881,0.562,0.321,0.174,0.088,0.857,573,261,10.038,1.503,25.929,95,1168,96,0,0,2.705,152.265,3.5,2,0.694,0.972,0.569,0.294,0.276,0.176,0.079,0.039,0.121,0.053,0.021,0.032,0.018,0.009,0.008,0.006,0.003,0.002,0.273,6386.764,1.704,219.393,283.856,989.911,43.996,35.648,17.383,4.586,7.685,0.413,0.916,0.234,0.982,0.608,1.22,95.022,0.977,19.311,2.412,275.227,332.545,589.239,1.259,321.165,396.745,689.263,0.081,512.887,617.328,1069.463,0.081,341.852,422.985,732.231,13.387,10.948,0.705,0.535,0.437,0.165,0.154,0.337,0.504,0.415,0.224,11.372,9.355,0.325,0.54,0.444,0.154,0.154,0.257,0.363,0.303,0.048,12.632,10.135,0.473,0.544,0.436,0.165,0.154,0.274,0.449,0.356,0.101,13.13,10.794,0.68,0.534,0.439,0.16,0.165,0.235,0.484,0.403,0.208,12.885,10.314,0.516,0.543,0.435,0.154,0.154,0.257,0.467,0.368,0.12,11.233,9.209,0.275,0.542,0.445,0.175,0.175,0.297,0.355,0.293,0.034,25.04,21.052,23.239,24.604,23.716,20.717,163.716,113.129,138.784,157.989,144.877,109.064,0.205,0.183,0.209,0.458,0.477,0.469,0.459,0.467,0.48,0.381,0.238,0.302,0.365,0.318,0.227,292.096,168.807,222.545,278.902,237.194,158.221,4.392,0.175,107.948,49.94,49.94
35,tBu,OBn.NH-Ph.Alkyl,Yes,tBu,OBn,NH-Ph,alkyl,OBn.NH-Ph,,0.01162,1.934793872,1.19969,1.439256096,0.7082,0.590319166,1.4120305,0.149844078,0.179766441,0.124902331,13.1,171.61,6,36,5.94,35.2836,5.05,25.5025,6.2,38.44,5.09,25.9081,3.9,15.21,7.14,50.9796,6.24,38.9376,5.68,32.2624,17.67614444,312.4460824,46.94,12.13,4.92,49.41,589.95,15.45,8.86,97.46,375.07,65.86,17.67,130.3,6.41,122.5,360.1,909.8,1.596,40.7,1.1,48.64,4,49.41,7,556.91,0e+0,83.86,5.88,5.47,5.88,5.88,5.88,5.88,5.88,5.88,10.39,-5.24,-4.32,-4.33,-4.67,-5.15,-5.31,-5.78,3.22,-1.3,0.01,0.41,98.61,5.15,4.83,397.56,6.97,36.67,56.24,38.61,59.92,0.64,0.99,0.68,2,57,30,60,33,20,44.5,0.515,4,4,7,0.117,17,27,26,1,2,2,158,354,182,392,22,22.246,1.989,2.099,0.212,62.5,9,41,155.94,184.933,0.248,12048,17715,12711,26850,28.668,12.993,2774,6.377,56.342,114.501,2273.8,188.237,4.805,6.802,13058,67.518,4250,28309,29.219,287.657,18100,2117.751,2118.039,2875.809,2121.882,3056.274,1.258,1.654,1.654,1.207,1.65,1.134,1.112,2.607,14.491,41.303,134.452,20.243,8.764,5.127,5.913,0.925,0.584,0.324,0.162,0.082,0.875,764,354,11.8,1.76,33.396,126,1768,124,11,0.659,2.949,186.014,6.5,3.333,1.257,1.283,0.924,0.415,0.363,0.309,0.225,0.189,0.197,0.072,0.031,0.035,0.026,0.011,0.01,0.009,0.006,0.006,0.403,11713.437,1.827,322.115,410.998,1551.512,54.439,42.202,19.67,5.211,8.72,0.391,0.917,0.321,0.96,0.831,2.11,119.903,0.977,19.311,9.785,302.809,624.281,899.433,8.362,361.035,773.483,1089.442,0.214,582.827,1302.856,1786.559,0.478,386.068,835.613,1169.86,22.624,9.576,0.911,0.683,0.289,0.162,0.178,0.253,0.668,0.378,0.299,18.442,8.73,0.417,0.668,0.316,0.146,0.162,0.366,0.444,0.314,0.063,20.483,9.229,0.615,0.675,0.304,0.146,0.146,0.224,0.549,0.351,0.136,22.287,9.482,0.881,0.683,0.29,0.146,0.162,0.247,0.648,0.371,0.28,20.976,9.325,0.671,0.677,0.301,0.146,0.146,0.209,0.576,0.359,0.162,17.756,8.726,0.346,0.662,0.325,0.169,0.169,0.245,0.412,0.314,0.043,33.111,27.589,30.327,32.65,30.972,26.828,245.969,172.336,207.299,239.33,215.932,164.108,0.194,0.206,0.191,0.525,0.503,0.513,0.524,0.516,0.493,0.448,0.274,0.346,0.433,0.366,0.256,476.364,267.126,353.794,458.23,378.143,244.615,4.392,0.111,126.614,49.94,49.94
36,Pentyl,OBn.NH-Ph.Alkyl,No - added,Pen,OBn,NH-Ph,alkyl,OBn.NH-Ph,,0.01234,1.90868484,0.85732,0.734997582,0.3212,0.374647304,3.113396498,0.493234433,0.422859744,0.575321272,,,6.5,42.25,6.46,41.7316,5.59,31.2481,6.86,47.0596,6,36,4.1,16.81,7.74,59.9076,7.03,49.4209,6.43,41.3449,21.49316667,461.9562134,48.79,12.07,5.67,49.41,617,15.45,8.79,105.69,391.98,67.48,20.58,138.05,8.54,127.15,372.6,948.5,1.598,41.9,1.1,50.4,4,49.41,10,578.25,0e+0,86.55,6.81,6.37,6.8,6.81,6.81,6.81,6.81,6.81,10.35,-5.7,-4.81,-4.82,-5.17,-5.67,-5.83,-6.29,3.36,-1.7,0.01,0,99.51,5.43,5.71,411.59,6.86,38.26,59.12,40.37,60.67,0.64,0.99,0.67,1.96,60,31,63,34,20,45.5,0.5,4,4,10,0.159,17,29,27,1,2,2,156,352,178,386,19,23.633,2.09,2.143,0.206,64.5,7,40,164.279,205.419,0.26,13758,19915,14488,29575,29.771,8.183,3184,6.847,57.079,117.126,2637.867,211.648,5.259,6.802,16249,68.294,4729,32830,30.308,314.709,20403,2476.214,2476.519,3282.009,2480.648,3474.378,1.209,1.567,1.566,1.167,1.564,1.1,0.996,2.617,14.075,41.833,145.58,21.203,10.83,5.989,7.408,0.969,0.557,0.315,0.167,0.088,1,932,431,13.903,2.106,39.401,140,2028,191,6,0.959,3.216,195.065,4.5,2.444,0.757,1.203,0.715,0.394,0.375,0.255,0.135,0.1,0.132,0.056,0.019,0.033,0.019,0.01,0.01,0.007,0.004,0.003,0.291,14168.27,1.759,338.594,472.276,1738.032,57.934,42.537,20.238,5.705,11.342,0.435,0.918,0.393,0.97,0.801,2.88,125.756,0.977,19.311,13.475,310.63,854.238,1121.968,12.235,370.012,1064.083,1371.54,0.257,593.941,1816.283,2282.922,0.719,395.424,1151.981,1477.019,30.07,9.048,1.104,0.748,0.225,0.145,0.153,0.182,0.583,0.354,0.399,24.307,8.438,0.619,0.729,0.253,0.145,0.153,0.186,0.382,0.307,0.121,26.994,8.851,0.816,0.736,0.241,0.145,0.156,0.174,0.472,0.34,0.215,29.646,8.97,1.077,0.747,0.226,0.145,0.153,0.198,0.566,0.347,0.379,27.667,8.921,0.871,0.739,0.238,0.145,0.153,0.19,0.496,0.345,0.246,23.224,8.507,0.541,0.72,0.264,0.168,0.177,0.186,0.349,0.312,0.091,40.223,33.364,36.661,39.692,37.459,32.271,315.283,225.391,268.169,307.487,278.685,214.719,0.159,0.16,0.177,0.621,0.593,0.604,0.62,0.608,0.579,0.445,0.27,0.342,0.431,0.362,0.251,655.987,385.797,499.815,633.462,531.143,353.813,4.392,0.097,131.393,49.94,49.94
37,OMe,OBn.NH-Ph.O-R',Yes,OMe,OBn,NH-Ph,O-R',OBn.NH-Ph,,0.01334,1.87484417,1.44971,2.101659084,0.62698,0.432486497,1.594947207,0.202746312,0.293923357,0.139853014,11.6,134.56,4.7,22.09,4.38,19.1844,3.42,11.6964,4.55,20.7025,3.68,13.5424,2.49,6.2001,5.31,28.1961,4.34,18.8356,3.98,15.8404,9.619355556,92.5320013,42.14,12,3.22,58.64,510.18,15.45,4.56,88.46,332.59,63.6,15.96,114.56,7.05,110.1,314.8,813.3,1.616,44.5,1.17,43.67,5,58.64,7,561.23,0e+0,84.4,5.19,3.73,5.19,5.19,5.19,5.19,5.19,5.19,10.42,-4.66,-3.3,-3.4,-3.74,-4.22,-4.39,-4.85,2.86,-1.2,0.01,0.45,98.09,4.99,3.15,371.47,7.58,32.39,48.91,33.78,58.17,0.66,1,0.69,2.08,49,28,52,31,20,42.5,0.548,4,4,7,0.135,17,21,23,2,2,2,144,372,166,394,19,21.553,2.1,2.159,0.215,59.5,7,37,141.946,162.857,0.251,10004,15979,10641,26656,27.055,7.409,2280,6.032,51.929,103.457,1871.667,165.469,4.368,6.802,10147,61.951,3618,23566,24.554,241.415,14960,1707.072,1707.379,2464.766,1710.868,2640.885,1.262,1.681,1.681,1.169,1.677,1.091,1.014,2.559,15.058,33.095,126.606,18.293,8.74,4.622,5.71,0.875,0.565,0.328,0.172,0.088,0.875,706,324,11.571,1.673,29.857,110,1480,134,3,0.515,2.924,169.078,4.5,2.444,0.757,1.203,0.688,0.333,0.332,0.235,0.135,0.1,0.145,0.06,0.02,0.036,0.021,0.009,0.009,0.007,0.004,0.004,0.316,8016.738,1.731,250.086,327.214,1153.695,47.09,39.349,18.888,4.917,8.571,0.418,0.927,0.267,0.967,0.803,1.57,103.35,0.976,19.325,2.717,298.343,460.279,739.787,4.352,351.998,498.342,820.707,0.148,558.962,835.098,1330.198,0.279,375.23,529.399,870.77,16.439,11.005,0.681,0.584,0.391,0.151,0.171,0.28,0.522,0.43,0.224,14.596,9.323,0.304,0.603,0.385,0.151,0.151,0.271,0.423,0.309,0.045,14.959,10.383,0.457,0.58,0.402,0.161,0.151,0.256,0.448,0.382,0.101,16.421,10.775,0.653,0.59,0.387,0.151,0.161,0.263,0.52,0.412,0.206,15.197,10.582,0.501,0.578,0.403,0.161,0.171,0.242,0.461,0.397,0.121,14.333,9.229,0.254,0.602,0.387,0.172,0.172,0.255,0.411,0.302,0.031,28.125,24.223,25.8,27.848,26.28,23.817,199.609,143.345,166.913,194.685,173.73,138.278,0.193,0.184,0.196,0.464,0.481,0.473,0.465,0.471,0.484,0.392,0.259,0.31,0.379,0.327,0.248,350.97,208.932,263.739,338.036,280.571,195.749,4.392,0.176,114.411,59.17,59.17
38,py,OBn.NH-Py.H,Yes,Py,OBn,NH-Py,H,OBn.NH-Py,,0.00878,2.056505484,1.42571,2.032649004,1.69297,1.1874605,0.590676418,-0.228650368,-0.325989116,-0.160376492,11.3,127.69,4.1,16.81,3.3,10.89,2.93,8.5849,3.59,12.8881,3.08,9.4864,2.86,8.1796,4.68,21.9024,3.9,15.21,3.27,10.6929,8.063155556,65.01447751,38.72,10.43,2.76,62.3,454.49,15.61,8.41,74.67,302.38,50.38,15.61,117.03,5.26,102.7,281.8,744.1,1.649,48.6,1.21,40.72,5,62.3,6,552.1,0e+0,83.26,3.78,2.43,0.48,3.16,3.76,3.78,3.78,3.78,9.43,-3.83,-2.17,-3.14,-3.4,-3.84,-3.99,-4.47,2.62,-1.3,0.03,-0.17,98.14,4.71,2.81,342.43,7.78,29.67,43.92,30.81,54,0.67,1,0.7,2.08,44,26,47,29,20,40.5,0.586,4,4,6,0.128,17,18,21,1,2,1,134,344,154,372,18,20.455,2.167,2.196,0.221,55,6,33,127.88,139.923,0.25,8096,12919,8703,21680,25.323,0,1819,5.597,48.067,93.643,1502.533,142.514,3.933,6.802,7489,57.131,3019,19145,21.063,199.747,11948,1358.322,1358.557,1955.619,1361.608,2095.661,1.281,1.709,1.709,1.183,1.705,1.104,1.013,2.522,13.772,28.459,116.211,16.369,7.851,4.124,4.943,0.866,0.562,0.321,0.174,0.088,0.857,573,261,10.038,1.503,25.929,95,1168,96,0,0,2.705,152.265,3.5,2,0.694,0.972,0.569,0.294,0.276,0.176,0.079,0.039,0.121,0.053,0.021,0.032,0.018,0.009,0.008,0.006,0.003,0.002,0.273,6068.673,1.682,211.04,275.849,946.517,43.023,36.039,17.597,4.578,7.654,0.417,0.913,0.235,0.983,0.601,1.23,92.831,0.955,19.26,3.971,274.321,334.063,589.837,1.855,319.12,377.633,668.106,0.143,510.757,589.49,1039.499,0.054,339.564,399.097,706.059,12.911,11.14,0.721,0.521,0.45,0.166,0.166,0.31,0.492,0.424,0.229,11.393,9.295,0.325,0.542,0.442,0.166,0.155,0.31,0.382,0.295,0.046,12.247,10.27,0.482,0.532,0.447,0.166,0.166,0.289,0.446,0.36,0.102,12.731,10.937,0.692,0.523,0.449,0.177,0.177,0.238,0.478,0.409,0.21,12.429,10.49,0.529,0.53,0.447,0.155,0.166,0.279,0.46,0.375,0.123,11.351,9.112,0.274,0.547,0.439,0.175,0.175,0.242,0.38,0.284,0.033,24.772,21.013,22.999,24.36,23.448,20.737,161.173,112.612,136.639,155.61,142.5,109.035,0.205,0.2,0.195,0.456,0.477,0.469,0.457,0.466,0.48,0.382,0.241,0.303,0.366,0.319,0.232,289.654,168,220.307,276.264,234.892,158.066,4.392,0.213,106.104,62.83,62.83
39,Pr,OBn.NH-alkyl,No,Pr,OBn,NH,alkyl,OBn.NH,,0.01957,1.708409174,1.13632,1.291223142,0.60318,0.530818783,1.657879903,0.219553067,0.249482541,0.193214118,10.7,114.49,3.6,12.96,3.62,13.1044,2.85,8.1225,3.67,13.4689,2.71,7.3441,2.61,6.8121,4.42,19.5364,3.64,13.2496,3.34,11.1556,7.073577778,50.03550258,35.55,11.7,2.62,49.41,450.09,15.45,7.94,124.41,292.03,60.41,15.58,97.74,10.15,92.83,272.6,694.4,1.596,42,1.12,36.8,4,49.41,7,483.92,2e-9,74.91,3.65,3.5,0.55,0.55,0.59,0.74,0.82,1.2,11.1,-4.14,-3.02,-3.07,-3.09,-3.15,-3.2,-3.44,2.47,-1.8,0.04,0.35,91.02,4.33,9.98,307.43,6.99,27.87,43.59,29.32,46.33,0.63,0.99,0.67,2.01,44,23,46,25,14,33.5,0.44,3,3,7,0.152,11,21,19,1,1,1,114,276,130,296,14,17.277,2.06,2.119,0.241,48.5,5,28,108.353,113.913,0.262,5639,8549,5805,12933,22.788,6.438,1310,5.178,40.944,77.563,1104.667,80.005,3.612,5.011,5050,48.454,2063,11555,21.772,164.999,6521,1014.5,1014.679,1438.407,1016.515,1535.551,1.48,1.913,1.912,1.34,1.909,1.255,0.967,2.485,11.785,27.77,100.042,15.629,7.838,4.139,5.326,0.95,0.55,0.313,0.171,0.087,1,457,215,9.348,1.463,21.917,77,849,88,6,1.18,2.666,136.361,3,1.778,0.757,0.901,0.504,0.279,0.251,0.119,0.064,0.056,0.12,0.056,0.027,0.033,0.019,0.01,0.01,0.005,0.003,0.004,0.287,6041.035,2.028,213.462,274.592,949.465,43.157,30.595,15.188,4.419,8.079,0.428,0.899,0.258,0.985,0.639,1.57,91.315,0.973,13.349,7.29,213.514,301.407,495.592,9.797,258.029,381.187,607.699,0.083,440.556,648.156,1018.919,0.656,277.881,413.378,654.995,14.378,9.437,0.83,0.583,0.383,0.155,0.166,0.31,0.52,0.409,0.292,11.824,7.537,0.377,0.599,0.382,0.155,0.161,0.27,0.369,0.246,0.06,13.281,8.521,0.565,0.594,0.381,0.155,0.155,0.299,0.453,0.331,0.135,14.071,9.307,0.801,0.582,0.385,0.155,0.166,0.262,0.498,0.399,0.271,13.595,8.742,0.618,0.592,0.381,0.155,0.166,0.27,0.472,0.351,0.162,11.719,7.117,0.312,0.612,0.372,0.181,0.181,0.207,0.369,0.21,0.041,24.645,19.738,22.367,24.178,22.955,19.148,155.457,96.42,125.492,149.672,132.649,89.276,0.2,0.189,0.189,0.449,0.471,0.462,0.45,0.46,0.476,0.407,0.225,0.306,0.389,0.328,0.207,292.759,149.779,211.817,278.698,229.06,134.436,3.907,0.235,95.661,49.94,49.94
40,Pen,OBn.NH-alkyl,Yes,Pen,OBn,NH,alkyl,OBn.NH,,0.00968,2.014124643,1.74418,3.042163872,1.16341,0.667024046,0.859542208,-0.065732792,-0.114649822,-0.037686932,11.9,141.61,4.4,19.36,4.49,20.1601,3.78,14.2884,4.74,22.4676,3.62,13.1044,3.06,9.3636,5.4,29.16,4.78,22.8484,4.24,17.9776,10.6196,112.7759042,39.24,11.73,3.51,49.41,510.4,15.45,8.01,72.19,320.89,49.01,17.64,119.95,5.53,102.04,304.7,771.7,1.584,41,1.1,40.45,4,49.41,9,504.99,3e-10,77.46,4.77,4.56,1.67,1.67,1.71,1.86,1.94,2.32,11.16,-4.91,-3.62,-3.71,-3.73,-3.79,-3.82,-4.04,2.76,-1.6,0.01,0.65,94.94,4.63,13.13,335.49,6.71,31.07,49.35,32.85,49.33,0.62,0.99,0.66,1.97,50,25,52,27,14,35.5,0.407,3,3,9,0.173,11,25,21,1,1,1,122,284,138,304,14,18.663,2.055,2.11,0.231,52.5,5,30,122.298,136.8,0.266,7285,10671,7471,15499,24.691,6.984,1710,5.7,44.3,86.011,1479.133,98.876,4.075,5.011,7234,52.556,2577,15268,25.627,204.071,7886,1357.429,1357.639,1876.808,1360.048,1997.758,1.443,1.828,1.828,1.308,1.824,1.228,0.965,2.532,12.409,33.268,112.096,17.56,9.283,5.104,6.52,0.99,0.546,0.308,0.166,0.083,1,567,268,10.72,1.674,26.848,92,1120,120,8,1.486,2.889,152.905,3,1.778,0.757,0.901,0.504,0.279,0.251,0.15,0.089,0.056,0.111,0.052,0.025,0.031,0.017,0.009,0.009,0.006,0.004,0.003,0.267,8619.409,2.06,258.93,344.776,1231.413,49.257,33.093,16.325,4.939,9.811,0.443,0.922,0.293,0.989,0.841,1.84,104.065,0.972,13.341,12.374,253.625,454.224,687.97,13.108,299.413,589.244,855.227,0.193,487.55,1031.751,1443.465,0.815,319.887,643.267,924.454,20.553,9.186,0.795,0.673,0.301,0.16,0.183,0.355,0.524,0.354,0.296,15.966,8.663,0.356,0.639,0.347,0.151,0.16,0.311,0.317,0.31,0.059,18.463,9.064,0.538,0.658,0.323,0.151,0.165,0.252,0.423,0.342,0.136,20.138,9.111,0.768,0.671,0.304,0.16,0.165,0.311,0.503,0.348,0.277,19.021,9.123,0.589,0.662,0.318,0.151,0.169,0.245,0.449,0.347,0.163,15.293,8.689,0.289,0.63,0.358,0.177,0.177,0.261,0.294,0.306,0.039,30.534,24.984,28.065,30.016,28.733,24.271,212.439,147.063,182.153,205.938,190.111,139.809,0.219,0.196,0.202,0.51,0.479,0.487,0.506,0.493,0.482,0.391,0.229,0.3,0.376,0.319,0.213,393.029,221.226,300.225,376.914,321.04,202.453,3.907,0.194,104.863,49.94,49.94
41,Non,OBn.NH-alkyl,No - added,Non,OBn,NH,alkyl,OBn.NH,,0.00517,2.286509457,1.14582,1.312903472,1.03633,0.904448249,0.964939043,-0.015500121,-0.017760349,-0.013527536,,,6,36,6.07,36.8449,5.63,31.6969,6.76,45.6976,5.45,29.7025,4.83,23.3289,7.36,54.1696,7.05,49.7025,6.11,37.3321,20.85594444,434.9704187,46.63,11.69,5.29,49.41,629.98,15.45,7.94,139.13,392.78,68.16,23.01,127.56,13.33,120.48,369,926.1,1.566,39.6,1.06,47.76,4,49.41,13,547.61,0e+0,82.7,7.5,6.69,4.4,4.4,4.45,4.59,4.67,5.05,11.08,-7.41,-4.92,-4.96,-4.97,-5.05,-5.08,-5.31,3.32,-3,0.01,0,99.61,5.15,21.41,391.61,6.32,37.46,60.89,39.89,55.33,0.6,0.98,0.64,1.91,62,29,64,31,14,39.5,0.355,3,3,13,0.203,11,33,25,1,1,1,138,300,154,320,14,21.435,2.047,2.094,0.216,60.5,5,34,152.008,194.345,0.284,11857,16507,12131,22583,28.518,7.951,2818,6.941,50.889,102.744,2536.067,146.908,6.106,5.011,14661,60.551,3913,26437,33.371,297,11344,2351.286,2351.559,3061.609,2355.115,3230.17,1.336,1.619,1.618,1.225,1.616,1.158,0.963,2.587,13.027,45.249,136.881,21.449,12.334,7.247,9.123,1.056,0.54,0.3,0.161,0.08,1,863,408,14.069,2.071,38.243,131,1837,187,12,2.01,3.207,187.361,3,1.778,0.757,0.901,0.504,0.279,0.251,0.15,0.089,0.076,0.097,0.047,0.022,0.027,0.015,0.008,0.008,0.005,0.003,0.003,0.235,16071.192,2.068,354.746,518.426,1923.781,62.057,37.918,18.601,6.271,13.069,0.459,0.952,0.519,1,0.891,4.22,130.305,0.972,13.34,17.566,264.631,1082.499,1326.172,16.578,314.54,1364.13,1641.44,0.291,513.134,2339.72,2765.027,0.994,336.493,1480.441,1773.398,38.172,7.736,0.744,0.818,0.166,0.158,0.222,0.303,0.574,0.299,0.307,32.877,7.794,0.321,0.802,0.19,0.151,0.151,0.311,0.425,0.303,0.057,35.922,7.897,0.497,0.811,0.178,0.144,0.144,0.348,0.507,0.31,0.137,37.706,7.706,0.721,0.817,0.167,0.151,0.172,0.28,0.56,0.297,0.289,36.568,7.886,0.546,0.813,0.175,0.144,0.144,0.338,0.526,0.309,0.165,32.096,8.006,0.251,0.795,0.198,0.171,0.171,0.239,0.405,0.319,0.035,46.652,40.993,44.315,46.134,45,40.354,329.448,269.316,305.427,323.332,312.63,267.036,0.22,0.193,0.191,0.727,0.703,0.716,0.726,0.719,0.693,0.393,0.262,0.318,0.382,0.333,0.253,595.687,392.614,490.668,579.038,514.953,371.942,3.907,0.125,123.267,49.94,49.94
42,Dec,OBn.NH-alkyl,Yes,Dec,OBn,NH,alkyl,OBn.NH,,0.02044,1.689519109,0.92909,0.863208228,0.42001,0.452066,2.380895693,0.376740369,0.35002571,0.405493945,13.9,193.21,6.3,39.69,6.42,41.2164,6.09,37.0881,7.26,52.7076,5.9,34.81,5.03,25.3009,7.85,61.6225,7.62,58.0644,6.95,48.3025,23.68308889,560.8886993,48.47,11.69,5.73,49.41,664.76,15.45,7.94,96.96,406.77,66.34,23.9,146.54,6.79,125.09,385,964.7,1.563,39.3,1.05,49.59,4,49.41,14,558.2,0e+0,84.02,7.9,7.22,4.8,4.8,4.85,4.99,5.08,5.45,11.07,-7.75,-5.22,-5.25,-5.27,-5.33,-5.38,-5.61,3.46,-3.3,0.01,-0.29,99.68,5.18,24.56,405.64,6.24,39.06,63.77,41.65,56.83,0.6,0.98,0.64,1.89,65,30,67,32,14,40.5,0.344,3,3,14,0.209,11,35,26,1,1,1,142,304,158,324,14,22.129,2.045,2.091,0.213,62.5,5,35,159.72,211,0.288,13290,18321,13596,24784,29.461,8.175,3165,7.276,52.525,106.935,2870.3,160.902,6.662,5.011,17314,62.53,4317,30168,35.311,323.163,12366,2669.75,2670.039,3427.809,2673.882,3608.273,1.31,1.569,1.569,1.204,1.567,1.141,0.963,2.597,13.125,48.5,143.207,22.426,13.125,7.835,9.812,1.07,0.538,0.298,0.159,0.08,0.9,945,447,14.9,2.18,41.333,143,2040,204,13,2.126,3.244,196.179,3,1.778,0.757,0.901,0.504,0.279,0.251,0.15,0.089,0.076,0.094,0.046,0.022,0.027,0.015,0.008,0.007,0.005,0.003,0.003,0.228,18479.464,2.066,379.572,568.599,2123.802,65.348,39.108,19.169,6.639,13.857,0.462,0.957,0.573,1,0.819,5.08,136.992,0.972,13.34,18.668,264.761,1300.912,1544.449,17.354,315.241,1629.213,1906.277,0.309,515.612,2782.177,3206.971,1.036,337.415,1765.86,2058.531,43.373,7.395,0.734,0.842,0.144,0.142,0.156,0.288,0.579,0.287,0.31,38.203,7.525,0.314,0.83,0.163,0.142,0.159,0.311,0.449,0.297,0.057,41.225,7.581,0.489,0.836,0.154,0.142,0.142,0.415,0.522,0.3,0.138,42.916,7.373,0.712,0.841,0.145,0.142,0.166,0.268,0.567,0.285,0.292,41.858,7.562,0.537,0.838,0.151,0.142,0.142,0.415,0.538,0.299,0.166,37.493,7.748,0.243,0.824,0.17,0.169,0.169,0.256,0.432,0.314,0.034,51.502,46.042,49.295,51.001,49.957,45.484,358.008,301.824,336.383,352.243,343.057,301.495,0.186,0.192,0.194,0.763,0.745,0.754,0.762,0.757,0.736,0.392,0.268,0.32,0.381,0.334,0.26,644.846,438.14,538.391,628.564,562.976,417.647,3.907,0.111,127.868,49.94,49.94
43,Dodec,OBn.NH-alkyl,No - added,Dodec,OBn,NH,alkyl,OBn.NH,,0.06164,1.2101399,0.26473,0.07008,0.18617,0.703244815,5.37143471,0.730090301,0.193276805,2.757867643,,,7.1,50.41,7.14,50.9796,7.02,49.2804,8.24,67.8976,6.82,46.5124,5.43,29.4849,8.84,78.1456,8.76,76.7376,8.03,64.4809,29.86227778,891.7556341,52.16,11.69,6.62,49.41,725.82,15.45,7.94,100.68,440.74,68.56,26.38,157.89,7.15,134.31,417.1,1041.9,1557,38.9,1.03,53.24,4,49.41,16,579.22,0e+0,86.67,8.79,8.28,5.69,5.69,5.73,5.88,5.96,6.34,11.07,-8.3,-5.79,-5.38,-5.85,-5.91,-5.95,6.19,3.74,-4,0.01,0,99.78,5.24,32.33,433.7,6.11,42.25,69.54,45.18,59.83,0.6,0.98,0.64,1.87,71,32,73,34,14,42.5,0.324,3,3,16,0.219,11,39,28,1,1,1,150,312,166,332,14,23.515,2.043,2.085,0.206,66.5,5,37,175.409,246.875,0.298,16532,22403,16914,29730,31.325,8.607,3950,7.964,55.789,115.352,3629.767,191.136,7.781,5.011,23782,66.475,5216,38963,39.197,378.888,14606,3397.679,3397.999,4251.21,3402.415,4455.48,1.259,1.479,1.479,1.165,1.477,1.109,0.962,2.612,13.285,55.315,156,24.384,14.736,9.029,11.229,1.095,0.536,0.295,0.157,0.079,0.909,1117,529,16.531,2.436,47.984,170,2460,238,15,2.344,3.379,214.001,3,1.778,0.757,0.901,0.504,0.279,0.251,0.15,0.089,0.076,0.088,0.043,0.02,0.025,0.014,0.008,0.007,0.004,0.003,0.003,0.215,24036.094,2.058,430.13,677.073,2556.674,72.019,41.478,20.307,7.401,15.389,0.466,0.965,0.662,1,0.954,7.05,150.492,0.973,13.348,20.865,266.665,1814.949,2059.854,18.945,319.046,2249.03,2528.004,0.344,524.644,3814.678,4242.528,1.124,341.922,2432.415,2727.179,54.577,6.86,0.716,0.878,0.11,0.146,0.212,0.326,0.587,0.269,0.316,49.959,7.082,0.301,0.871,0.124,0.14,0.146,0.353,0.493,0.288,0.056,52.753,7.076,0.474,0.875,0.117,0.146,0.17,0.572,0.549,0.285,0.138,54.162,6.849,0.696,0.878,0.111,0.14,0.146,0.289,0.579,0.268,0.298,53.321,7.046,0.522,0.876,0.116,0.14,0.183,0.55,0.56,0.283,0.168,49.467,7.325,0.229,0.868,0.128,0.167,0.167,0.291,0.483,0.307,0.032,62.153,57.343,60.304,61.707,60.889,57.021,418.423,370.992,401.655,413.401,407.191,375.36,0.216,0.193,0.201,0.817,0.807,0.812,0.817,0.814,0.801,0.391,0.279,0.324,0.382,0.337,0.274,748.789,534.877,638.934,733.271,664.119,515.291,3.907,0.084,137.07,49.94,49.94