name,exp dG kcal/mol,AQFEP 10 poses Vinardo,AQFEP 10 poses Vinardo error,FEP+ 5 ns kcal/mol,schr_5ns_dGerr,MMGBSA dG kcal/mol,glide gscore kcal/mol,glide gscore score in place kcal/mol,Vinardo Score kcal/mol,Vinardo minimize kcal/mol
CHEMBL3402753_200,-9.14,-23.1081542,0.3147492598,-9.97,0.29,-91.39,-11.52465707,-11.63906312,-12.31872,-12.37248
CHEMBL3402759_5.7,-11.25,-26.26853782,0.4697373116,-11.83,0.4,-98.19,-11.95416278,-11.85680878,-11.91042,-11.76964
CHEMBL3402747_3400,-7.46,-21.0944111,0.2564500297,-5.55,0.29,-85.45,-7.111210758,-10.59064376,-11.16345,-10.73251
CHEMBL3402744_300,-8.9,-19.08341391,0.3349428039,-7.66,0.32,-85.66,-10.90237698,-10.55820121,-10.14294,-10.12778
CHEMBL3402745_200,-9.14,-20.21426215,0.3499477117,-8.22,0.29,-88.58,-11.01590956,-10.76441626,-10.50889,-10.55671
CHEMBL3402761_1,-12.28,-29.71573651,0.449902254,-12.5,0.3,-89.0,-11.38856254,-11.39915736,-12.04655,-11.75349
CHEMBL3402750_400,-8.73,-21.92905699,0.4234964467,-9.05,0.29,-87.25,-11.45936476,-11.04455734,-11.59252,-11.64386
CHEMBL3402743_42,-10.06,-24.62488449,0.2704390057,-8.8,0.35,-91.24,-11.21427113,-11.02172921,-10.67594,-10.79
CHEMBL3402752_30000,-6.17,-19.98432499,0.2934664507,-6.12,0.3,-85.77,-10.49169297,-10.5854392,-10.41289,-10.38883
CHEMBL3402755_4200,-7.34,-22.66782112,0.4186920561,-8.67,0.3,-85.67,-11.00781144,-10.83045321,-11.99457,-12.00292
CHEMBL3402758_10,-10.91,-25.59669585,0.3543588726,-12.37,0.42,-94.71,-9.164626267,-11.32620695,-11.38777,-10.92749
CHEMBL3402749_500,-8.6,-21.13976818,0.2844543187,-7.28,0.29,-79.0,-7.685579004,-10.54708088,-11.12795,-11.08648
CHEMBL3402757_6.5,-11.17,-24.16229245,0.3031167542,-11.91,0.37,-95.7,-10.41740695,-11.49414135,-11.70549,-11.34207
CHEMBL3402765_11-charged-pKa-8.1,-10.86,-25.07279171,0.3626132754,-9.8,0.38,-91.36,-11.75264061,-11.20981591,-10.99188,-10.79482
CHEMBL3402762_1,-12.28,-31.20489555,0.406209262,-14.04,0.36,-95.08,-8.5749104,-11.76862648,-12.54284,-12.47443
CHEMBL3402742_23,-10.42,-23.62168229,0.4234542299,-10.38,0.37,-86.73,-9.116356868,-11.04504982,-9.69167,-9.40497
CHEMBL3402754_40,-10.09,-23.50779945,0.4607924435,-9.85,0.32,-90.38,-11.36855274,-11.33769506,-12.00668,-12.05809
CHEMBL3402748_5300,-7.2,-22.47671403,0.2976626573,-7.15,0.29,-82.33,-10.77865014,-10.78313152,-11.26655,-11.26131
CHEMBL3402741_400,-8.73,-27.56352898,0.3318996027,-10.08,0.43,-98.71,-10.8616464,-10.8065833,-9.38214,-9.52458
CHEMBL3402763_90,-9.61,-24.68314392,0.3929571767,-10.48,0.4,-95.86,-10.59315424,-10.34167052,-9.65151,-9.41553
CHEMBL3402764_90,-9.61,-21.96524065,0.2446958305,-8.57,0.42,-90.45,-10.70350274,-10.61217221,-11.45868,-10.4031
CHEMBL3402751_2100,-7.75,-21.70404062,0.3026613599,-7.05,0.29,-86.25,-10.95982052,-10.72920931,-10.86278,-10.85809
CHEMBL3402756_2.7,-11.69,-29.00221132,0.3002539981,-11.79,0.36,-94.84,-8.623215914,-11.31097405,-11.85554,-11.51
CHEMBL3402760_1,-12.28,-27.89004793,0.5070209856,-12.53,0.36,-90.82,-11.30385665,-10.56356543,-11.93824,-11.87074