<|"1" -> <|"IsolatedSProteinVinaScore" -> Quantity[-0.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.3, "KilocaloriesThermochemical"/"Moles"]|>, "2" -> <|"IsolatedSProteinVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "3" -> <|"IsolatedSProteinVinaScore" -> Quantity[-1.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "4" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "5" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "6" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "7" -> <|"IsolatedSProteinVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "8" -> <|"IsolatedSProteinVinaScore" -> Quantity[-1., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.3, "KilocaloriesThermochemical"/"Moles"]|>, "9" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "10" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "11" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "12" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "13" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "14" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "15" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "16" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "17" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "18" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "19" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "20" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "21" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "22" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "23" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "24" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "25" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "26" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "27" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "28" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "29" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "30" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "31" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "32" -> <|"IsolatedSProteinVinaScore" -> Quantity[-1.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "33" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "34" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "35" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "36" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "37" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "38" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "39" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "40" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "41" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "42" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "43" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "44" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "45" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "46" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "47" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "48" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "49" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "50" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "51" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "52" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "53" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "54" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "55" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "56" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "57" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "58" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "59" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "60" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "61" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "62" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "63" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "64" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "65" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "66" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "67" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "68" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "69" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "70" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "71" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "72" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "73" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "74" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "75" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "76" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "77" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "78" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "79" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "80" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "81" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "82" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "83" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "84" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "85" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "86" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "87" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "88" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "89" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "90" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "91" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "92" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "93" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "94" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "95" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "96" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "97" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "98" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "99" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "100" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "101" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "102" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "103" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "104" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "105" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "106" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "107" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "108" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "109" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "110" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "111" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "112" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "113" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "114" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "115" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "116" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "117" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "118" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "119" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "120" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "121" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "122" -> <|"IsolatedSProteinVinaScore" -> 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Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "128" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "129" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "130" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "131" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "132" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "133" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "134" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "135" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "136" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "137" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "138" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "139" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "140" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "141" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "142" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "143" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "144" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "145" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "146" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "147" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "148" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "149" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "150" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "151" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "152" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "153" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "154" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "155" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "156" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "157" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "158" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "159" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "160" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "161" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "162" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "163" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "164" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "165" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "166" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "167" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "168" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "169" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "170" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "171" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "172" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "173" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "174" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "175" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "176" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "177" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "178" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "179" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "180" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "181" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "182" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "183" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "184" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "185" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "186" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "187" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "188" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "189" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "190" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "191" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "192" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "193" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "194" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "195" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "196" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "197" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "198" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "199" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "200" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "201" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "202" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "203" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "204" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "205" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "206" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "207" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "208" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "209" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "210" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "211" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "212" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "213" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "214" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], 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"KilocaloriesThermochemical"/"Moles"]|>, "220" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "221" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "222" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "223" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "224" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "225" -> <|"IsolatedSProteinVinaScore" -> 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<|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "237" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "238" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "239" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "240" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "241" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "242" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "243" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "244" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "245" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "246" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "247" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "248" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "249" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "250" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "251" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "252" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "253" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "254" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "255" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "256" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "257" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> 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<|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "264" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "265" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "266" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "267" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "268" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "269" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "270" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "271" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "272" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "273" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "274" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "275" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "276" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "277" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "278" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "279" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "280" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "281" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "282" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "283" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "284" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "285" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "286" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "287" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "288" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "289" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "290" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "291" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "292" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "293" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "294" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "295" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "296" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "297" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "298" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "299" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "300" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "301" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "302" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "303" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "304" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "305" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "306" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "307" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "308" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "309" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "310" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "311" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "312" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "313" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "314" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "315" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "316" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "317" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "318" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "319" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "320" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "321" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "322" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "323" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "324" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "325" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "326" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "327" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "328" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "329" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "330" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "331" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "332" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "333" -> <|"IsolatedSProteinVinaScore" -> 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Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "388" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "389" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "390" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "391" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "392" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> 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<|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "399" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "400" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "401" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "402" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "403" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "404" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "405" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "406" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "407" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "408" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, 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"KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "415" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "416" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "417" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "418" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "419" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "420" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "421" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "422" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "423" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "424" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "425" -> <|"IsolatedSProteinVinaScore" -> 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"KilocaloriesThermochemical"/"Moles"]|>, "561" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "562" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "563" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "564" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "565" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "566" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "567" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "568" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "569" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "570" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "571" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "572" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "573" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "574" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "575" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "576" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "577" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "578" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "579" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "580" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "581" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "582" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "583" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "584" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "585" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "586" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "587" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "588" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "589" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "590" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "591" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "592" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "593" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.9, "KilocaloriesThermochemical"/"Moles"]|>, "594" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "595" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "596" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "597" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "598" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "599" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "600" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "601" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "602" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "603" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "604" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "605" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "606" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "607" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "608" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "609" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "610" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "611" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "612" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "613" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "614" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "615" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "616" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "617" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "618" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "619" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "620" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "621" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "622" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "623" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "624" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "625" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "626" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "627" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "628" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "629" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "630" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "631" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "632" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "633" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "634" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "635" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "636" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "637" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "638" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "639" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "640" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "641" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "642" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "643" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "644" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "645" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "646" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "647" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "648" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "649" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "650" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "651" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "652" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "653" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "654" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "655" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "656" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "657" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "658" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "659" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "660" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "661" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "662" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "663" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., 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Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "670" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "671" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "672" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "673" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "674" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> 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<|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "681" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "682" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "683" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "684" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "685" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "686" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "687" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "688" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "689" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "690" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, 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"KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "697" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "698" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "699" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "700" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "701" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, 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Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "713" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "714" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "715" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "716" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "717" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "718" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "719" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "720" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "721" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "722" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "723" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" 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"KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "730" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "731" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "732" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "733" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "734" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, 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Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "741" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "742" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "743" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "744" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "745" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> 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<|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "752" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "753" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "754" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "755" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "756" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], 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"KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "768" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "769" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "770" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "771" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "772" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, 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<|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "790" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "791" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "792" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "793" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "794" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], 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"KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "806" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "807" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "808" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "809" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "810" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "811" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "812" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "813" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "814" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "815" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "816" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "817" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "818" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "819" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "820" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "821" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> 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<|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "828" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "829" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "830" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "831" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "832" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "833" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "834" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "835" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "836" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "837" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "838" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "839" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "840" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "841" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "842" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "843" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "844" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "845" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "846" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "847" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "848" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> 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<|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "855" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "856" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "857" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "858" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "859" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "860" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "861" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "862" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "863" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "864" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "865" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "866" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "867" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "868" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "869" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "870" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "871" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "872" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "873" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "874" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "875" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "876" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "877" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "878" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "879" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "880" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "881" -> <|"IsolatedSProteinVinaScore" -> 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"KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "936" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "937" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "938" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "939" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "940" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "941" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "942" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "943" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "944" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "945" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "946" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "947" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "948" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "949" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "950" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "951" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> 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<|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "958" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "959" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "960" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "961" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "962" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "963" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "964" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "965" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "966" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "967" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "968" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "969" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "970" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "971" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "972" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "973" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "974" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "975" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "976" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "977" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "978" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "979" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "980" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "981" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "982" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "983" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "984" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "985" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "986" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "987" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "988" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "989" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.8, "KilocaloriesThermochemical"/"Moles"]|>, "990" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "991" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "992" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "993" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "994" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "995" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "996" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "997" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "998" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "999" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1000" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1001" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1002" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1003" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1004" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1005" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "1006" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "1007" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1008" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1009" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1010" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "1011" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "1012" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1013" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1014" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.7, "KilocaloriesThermochemical"/"Moles"]|>, "1015" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "1016" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1017" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "1018" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1019" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "1020" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "1021" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1022" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1023" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1024" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1025" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1026" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1027" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1028" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1029" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1030" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "1031" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1032" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1033" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1034" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1035" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1036" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1037" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "1038" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1039" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1040" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1041" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1042" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1043" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1044" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "1045" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "1046" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1047" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "1048" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "1049" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "1050" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1051" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1052" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1053" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1054" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1055" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1056" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1057" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1058" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1059" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "1060" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1061" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "1062" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1063" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1064" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1065" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1066" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1067" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "1068" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1069" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "1070" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "1071" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1072" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1073" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1074" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "1075" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1076" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1077" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1078" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1079" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1080" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1081" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1082" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "1083" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "1084" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "1085" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "1086" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "1087" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "1088" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1089" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "1090" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1091" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1092" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1093" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1094" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1095" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1096" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> 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<|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "1103" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1104" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1105" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1106" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1107" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1108" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1109" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1110" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1111" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1112" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1113" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "1114" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1115" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1116" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1117" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1118" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1119" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1120" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1121" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1122" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1123" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1124" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1125" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1126" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1127" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1128" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1129" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1130" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1131" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1132" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1133" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1134" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1135" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1136" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.3, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "4974291", <|"URL" -> "http://zinc15.docking.org/substances/ZINC4974291"|>]|>, "1137" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1138" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1139" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1140" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1141" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "1142" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1143" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1144" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "1145" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1146" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1147" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1148" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "1149" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7., "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "5851063", <|"URL" -> "http://zinc15.docking.org/substances/ZINC5851063"|>]|>, "1150" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1151" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "1152" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "1153" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "1154" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1155" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1156" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1157" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1158" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1159" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "1160" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1161" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "1162" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1163" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1164" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "1165" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1166" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "1167" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1168" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1169" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1170" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1171" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1172" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1173" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "1174" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1175" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1176" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1177" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1178" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "1179" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1180" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "1181" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "1182" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1183" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "1184" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1185" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1186" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "1187" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1188" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1189" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1190" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1191" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1192" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "1193" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "1194" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1195" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "1196" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1197" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1198" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1199" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1200" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "1201" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "1202" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1203" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "1204" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1205" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1206" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1207" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> 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<|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "1214" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1215" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "1216" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1217" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "1218" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1219" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1220" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1221" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1222" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.6, "KilocaloriesThermochemical"/"Moles"]|>, "1223" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> 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<|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "1230" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1231" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1232" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.7, "KilocaloriesThermochemical"/"Moles"]|>, "1233" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1234" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1235" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1236" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1237" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1238" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1239" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "1240" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1241" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1242" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1243" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1244" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1245" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1246" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "1247" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1248" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1249" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1250" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1251" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "1252" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1253" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1254" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1255" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1256" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "1257" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1258" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "1259" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1260" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1261" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1262" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "1263" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1264" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1265" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1266" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "1267" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "1268" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "1269" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "1270" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "1271" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1272" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1273" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "1274" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "1275" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1276" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1277" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1278" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1279" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "1280" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1281" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "1282" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1283" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "1284" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1285" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1286" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "1287" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "1288" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1289" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1290" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "1291" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1292" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1293" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1294" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "1295" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1296" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1297" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1298" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1299" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1300" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1301" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "1302" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1303" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> 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<|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "1310" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1311" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1312" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "1313" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1314" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, 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<|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1326" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "1327" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1328" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1329" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "1330" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "1331" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "1332" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1333" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1334" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1335" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> 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<|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "1342" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1343" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1344" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1345" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1346" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "1347" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1348" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1349" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "1350" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1351" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "1352" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "1353" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "1354" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1355" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1356" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1357" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1358" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1359" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1360" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1361" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1362" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "1363" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "1364" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1365" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1366" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "1367" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> 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<|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1374" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1375" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1376" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1377" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1378" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "1379" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "1380" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "1381" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1382" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1383" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> 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<|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1390" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1391" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1392" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1393" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1394" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1395" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1396" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1397" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1398" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "1399" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> 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<|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "1438" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1439" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1440" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1441" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1442" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1443" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1444" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "1445" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "1446" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1447" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> 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"KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1453" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "1454" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "1455" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "1456" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "1457" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> 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"KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1469" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.9, "KilocaloriesThermochemical"/"Moles"]|>, "1470" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "1471" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "1472" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1473" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1474" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.9, "KilocaloriesThermochemical"/"Moles"]|>, "1475" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1476" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1477" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.2, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "1532937", <|"URL" -> "http://zinc15.docking.org/substances/ZINC1532937"|>]|>, "1478" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1479" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "1480" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "1481" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1482" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1483" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1484" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1485" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "1486" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.6, "KilocaloriesThermochemical"/"Moles"]|>, "1487" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "1488" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1489" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1490" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "1491" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1492" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1493" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "1494" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1495" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "1496" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1497" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1498" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1499" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> 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<|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "1506" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1507" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "1508" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "1509" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "1510" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1511" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1512" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "1513" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1514" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1515" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1516" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1517" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1518" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1519" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1520" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "1521" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1522" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1523" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1524" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "1525" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1526" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "1527" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1528" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1529" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1530" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1531" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "1532" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.4, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "38178745", <|"URL" -> "http://zinc15.docking.org/substances/ZINC38178745"|>]|>, "1533" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1534" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1535" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1536" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1537" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "1538" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "1539" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1540" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1541" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "1542" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1543" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.6, "KilocaloriesThermochemical"/"Moles"]|>, "1544" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1545" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1546" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1547" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "1548" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "1549" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1550" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1551" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "1552" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1553" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1554" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "1555" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "1556" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "1557" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "1558" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7., "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "100045148", <|"URL" -> "http://zinc15.docking.org/substances/ZINC100045148"|>]|>, "1559" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7., "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "100045148", <|"URL" -> "http://zinc15.docking.org/substances/ZINC100045148"|>]|>, "1560" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.1, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "100045148", <|"URL" -> "http://zinc15.docking.org/substances/ZINC100045148"|>]|>, "1561" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.2, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "100029428", <|"URL" -> "http://zinc15.docking.org/substances/ZINC100029428"|>]|>, "1562" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1563" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1564" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1565" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.2, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "3875368", <|"URL" -> "http://zinc15.docking.org/substances/ZINC3875368"|>]|>, "1566" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.9, "KilocaloriesThermochemical"/"Moles"]|>, "1567" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1568" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "1569" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "1570" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1571" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1572" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "1573" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1574" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1575" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1576" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "1577" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1578" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1579" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "1580" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1581" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1582" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1583" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1584" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1585" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1586" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.3, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "18181336", <|"URL" -> "http://zinc15.docking.org/substances/ZINC18181336"|>]|>, "1587" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1588" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "1589" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1590" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1591" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "1592" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1593" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1594" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1595" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "1596" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "1597" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1598" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1599" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1600" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1601" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "1602" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1603" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1604" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1605" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1606" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1607" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1608" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1609" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "1610" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "1611" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1612" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "1613" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1614" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1615" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1616" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "1617" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "1618" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.1, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "13585233", <|"URL" -> "http://zinc15.docking.org/substances/ZINC13585233"|>]|>, "1619" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "1620" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "1621" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "1622" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "1623" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "1624" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1625" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1626" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1627" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1628" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "1629" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "1630" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.6, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "100734163", <|"URL" -> "http://zinc15.docking.org/substances/ZINC100734163"|>]|>, "1631" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1632" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1633" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1634" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1635" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1636" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "1637" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1638" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "1639" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1640" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "1641" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1642" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1643" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1644" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "1645" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1646" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1647" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "1648" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.6, "KilocaloriesThermochemical"/"Moles"]|>, "1649" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "1650" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1651" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1652" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1653" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1654" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "1655" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1656" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1657" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "1658" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "1659" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.9, "KilocaloriesThermochemical"/"Moles"]|>, "1660" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "1661" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "1662" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "1663" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1664" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "1665" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1666" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1667" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1668" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1669" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1670" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "1671" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1672" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1673" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "1674" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "1675" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1676" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1677" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "1678" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "1679" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1680" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "1681" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "1682" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "1683" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1684" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1685" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1686" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "1687" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "1688" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1689" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1690" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.8, "KilocaloriesThermochemical"/"Moles"]|>, "1691" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1692" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1693" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.6, "KilocaloriesThermochemical"/"Moles"]|>, "1694" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.6, "KilocaloriesThermochemical"/"Moles"]|>, "1695" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.7, "KilocaloriesThermochemical"/"Moles"]|>, "1696" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.9, "KilocaloriesThermochemical"/"Moles"]|>, "1697" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.9, "KilocaloriesThermochemical"/"Moles"]|>, "1698" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.7, "KilocaloriesThermochemical"/"Moles"]|>, "1699" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1700" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1701" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1702" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1703" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "1704" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "1705" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1706" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "1707" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1708" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1709" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1710" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "1711" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1712" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1713" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1714" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1715" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "1716" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "1717" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1718" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "1719" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1720" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1721" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1722" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1723" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1724" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1725" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "1726" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1727" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1728" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1729" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1730" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1731" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "1732" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1733" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "1734" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1735" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1736" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1737" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "1738" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "1739" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "1740" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "1741" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "1742" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "1743" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "1744" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1745" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1746" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "1747" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "1748" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "1749" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "1750" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "1751" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1752" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1753" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1754" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1755" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "1756" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1757" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1758" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1759" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "1760" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1761" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1762" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1763" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1764" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1765" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1766" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1767" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1768" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "1769" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1770" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1771" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1772" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1773" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1774" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1775" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1776" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1777" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "1778" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "1779" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "1780" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1781" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1782" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1783" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1784" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1785" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1786" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1787" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1788" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1789" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1790" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1791" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1792" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "1793" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "1794" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1795" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "1796" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "1797" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "1798" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "1799" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "1800" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "1801" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "1802" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "1803" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "1804" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "1805" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1806" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "1807" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "1808" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1809" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1810" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "1811" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "1812" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.6, "KilocaloriesThermochemical"/"Moles"]|>, "1813" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1814" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "1815" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1816" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1817" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "1818" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1819" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "1820" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1821" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "1822" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1823" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1824" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "1825" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "1826" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1827" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1828" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "1829" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1830" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1831" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1832" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1833" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "1834" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1835" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1836" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1837" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1838" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1839" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1840" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1841" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1842" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "1843" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1844" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1845" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1846" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1847" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "1848" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1849" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "1850" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1851" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.8, "KilocaloriesThermochemical"/"Moles"]|>, "1852" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1853" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1854" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1855" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1856" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "1857" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "1858" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "1859" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "1860" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "1861" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1862" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "1863" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "1864" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "1865" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "1866" -> <|"IsolatedSProteinVinaScore" -> Quantity[-1.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "1867" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1868" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1869" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1870" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1871" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1872" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "1873" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "1874" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "1875" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1876" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1877" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "1878" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1879" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "1880" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "1881" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1882" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1883" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1884" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1885" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "1886" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.2, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "899141", <|"URL" -> "http://zinc15.docking.org/substances/ZINC899141"|>]|>, "1887" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.8, "KilocaloriesThermochemical"/"Moles"]|>, "1888" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "1889" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "1890" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "1891" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1892" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1893" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1894" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1895" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1896" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "1897" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1898" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1899" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1900" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1901" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "1902" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "1903" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "1904" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "1905" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1906" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1907" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1908" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1909" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1910" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1911" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "1912" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1913" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1914" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1915" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "1916" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1917" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1918" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1919" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1920" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1921" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "1922" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "1923" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1924" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1925" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "1926" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1927" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "1928" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "1929" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "1930" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "1931" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "1932" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.6, "KilocaloriesThermochemical"/"Moles"]|>, "1933" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.2, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "3830273", <|"URL" -> "http://zinc15.docking.org/substances/ZINC3830273"|>]|>, "1934" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.4, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "3830273", <|"URL" -> "http://zinc15.docking.org/substances/ZINC3830273"|>]|>, "1935" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1936" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1937" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "1938" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "1939" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1940" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "1941" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "1942" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1943" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1944" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.9, "KilocaloriesThermochemical"/"Moles"]|>, "1945" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "1946" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1947" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "1948" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1949" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "1950" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "1951" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1952" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1953" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "1954" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1955" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "1956" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "1957" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.7, "KilocaloriesThermochemical"/"Moles"]|>, "1958" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "1959" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "1960" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "1961" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "1962" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1963" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1964" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "1965" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1966" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1967" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1968" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1969" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "1970" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1971" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1972" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "1973" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "1974" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "1975" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "1976" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "1977" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "1978" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "1979" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "1980" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "1981" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "1982" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "1983" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "1984" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "1985" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "1986" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1987" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "1988" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "1989" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1990" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "1991" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "1992" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "1993" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "1994" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "1995" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "1996" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "1997" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "1998" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "1999" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "2000" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2001" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "2002" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "2003" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "2004" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "2005" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2006" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "2007" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2008" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2009" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2010" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2011" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2012" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2013" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "2014" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2015" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "2016" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "2017" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "2018" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "2019" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "2020" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "2021" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "2022" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2023" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "2024" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "2025" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "2026" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "2027" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "2028" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "2029" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "2030" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "2031" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "2032" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2033" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "2034" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "2035" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2036" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "2037" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "2038" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2039" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "2040" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2041" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "2042" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2043" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "2044" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "2045" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "2046" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "2047" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2048" -> 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<|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "2097" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2098" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2099" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "2100" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "2101" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "2102" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2103" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.1, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "970363", <|"URL" -> "http://zinc15.docking.org/substances/ZINC970363"|>]|>, "2104" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "2105" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2106" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "2107" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "2108" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2109" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "2110" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2111" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "2112" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "2113" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "2114" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "2115" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "2116" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> 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<|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "2123" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "2124" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2125" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2126" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2127" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2128" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "2129" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "2130" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "2131" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "2132" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> 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<|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "2139" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "2140" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "2141" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "2142" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2143" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "2144" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "2145" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2146" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2147" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "2148" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "2149" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "2150" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "2151" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2152" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2153" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "2154" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "2155" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "2156" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.7, "KilocaloriesThermochemical"/"Moles"]|>, "2157" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.3, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "1785", <|"URL" -> "http://zinc15.docking.org/substances/ZINC1785"|>]|>, "2158" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "2159" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2160" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2161" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2162" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.7, "KilocaloriesThermochemical"/"Moles"]|>, "2163" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "2164" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "2165" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "2166" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "2167" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "2168" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "2169" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.6, "KilocaloriesThermochemical"/"Moles"]|>, "2170" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "2171" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "2172" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "2173" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "2174" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "2175" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "2176" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "2177" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "2178" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "2179" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "2180" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "2181" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "2182" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "2183" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "2184" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.6, "KilocaloriesThermochemical"/"Moles"]|>, "2185" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.6, "KilocaloriesThermochemical"/"Moles"]|>, "2186" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7., "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "896041", <|"URL" -> "http://zinc15.docking.org/substances/ZINC896041"|>]|>, "2187" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "2188" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.6, "KilocaloriesThermochemical"/"Moles"]|>, "2189" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "2190" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2191" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "2192" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "2193" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.7, "KilocaloriesThermochemical"/"Moles"]|>, "2194" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "2195" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "2196" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "2197" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "2198" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "2199" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "2200" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "2201" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "2202" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "2203" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "2204" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "2205" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.3, "KilocaloriesThermochemical"/"Moles"]|>, "2206" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "2207" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "2208" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "2209" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.5, "KilocaloriesThermochemical"/"Moles"]|>, "2210" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.9, "KilocaloriesThermochemical"/"Moles"]|>, "2211" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "2212" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"]|>, "2213" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2214" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "2215" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "2216" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "2217" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2218" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2219" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "2220" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "2221" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "2222" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2223" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "2224" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "2225" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2226" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "2227" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2228" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "2229" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "2230" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2231" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "2232" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "2233" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2234" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2235" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "2236" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2237" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2238" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "2239" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "2240" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "2241" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2242" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "2243" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "2244" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "2245" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "2246" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.7, "KilocaloriesThermochemical"/"Moles"]|>, "2247" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "2248" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "2249" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "2250" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "2251" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "2252" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2253" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2254" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2255" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "2256" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "2257" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "2258" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "2259" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2260" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "2261" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2262" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "2263" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "2264" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "2265" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "2266" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "2267" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "2268" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2269" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2270" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "2271" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "2272" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.8, "KilocaloriesThermochemical"/"Moles"]|>, "2273" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "2274" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "2275" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "2276" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "2277" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "2278" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "2279" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "2280" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2281" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2282" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "2283" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "2284" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "2285" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "2286" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "2287" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "2288" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "2289" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "2290" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "2291" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "2292" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "2293" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2294" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "2295" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "2296" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2297" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "2298" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "2299" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "2300" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "2301" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "2302" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "2303" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "2304" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2305" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "2306" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "2307" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "2308" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "2309" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "2310" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "2311" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "2312" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "2313" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "2314" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "2315" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "2316" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2317" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "2318" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "2319" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "2320" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.7, "KilocaloriesThermochemical"/"Moles"]|>, "2321" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "2322" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "2323" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "2324" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "2325" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "2326" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2327" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "2328" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "2329" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "2330" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "2331" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2332" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "2333" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "2334" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "2335" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "2336" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2337" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "2338" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "2339" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2340" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2341" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2342" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2343" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "2344" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "2345" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "2346" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "2347" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2348" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "2349" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "2350" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2351" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "2352" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "2353" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "2354" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "2355" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "2356" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "2357" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2358" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.3, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "5704", <|"URL" -> "http://zinc15.docking.org/substances/ZINC5704"|>]|>, "2359" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "2360" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "2361" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.7, "KilocaloriesThermochemical"/"Moles"]|>, "2362" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "2363" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "2364" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "2365" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2366" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2367" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2368" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2369" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "2370" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "2371" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "2372" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2373" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2374" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "2375" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2376" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2377" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "2378" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "2379" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "2380" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "2381" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "2382" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "2383" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "2384" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2385" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "2386" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "2387" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "2388" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "2389" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "2390" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "2391" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "2392" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "2393" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "2394" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "2395" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "2396" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "2397" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2398" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "2399" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "2400" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.9, "KilocaloriesThermochemical"/"Moles"]|>, "2401" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "2402" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2403" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "2404" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2405" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2406" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2407" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "2408" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2409" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2410" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2411" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2412" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "2413" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "2414" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "2415" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2416" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2417" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2418" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2419" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "2420" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "2421" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2422" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "2423" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "2424" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "2425" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "2426" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "2427" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "2428" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.7, "KilocaloriesThermochemical"/"Moles"]|>, "2429" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "2430" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "2431" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "2432" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "2433" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "2434" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2435" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "2436" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "2437" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "2438" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2439" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "2440" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "2441" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2442" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2443" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "2444" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "2445" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2446" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2447" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "2448" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "2449" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "2450" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "2451" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "2452" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "2453" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2454" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2455" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "2456" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "2457" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2458" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "2459" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "2460" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "2461" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2462" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "2463" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.4, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "18185774", <|"URL" -> "http://zinc15.docking.org/substances/ZINC18185774"|>]|>, "2464" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7., "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "5842416", <|"URL" -> "http://zinc15.docking.org/substances/ZINC5842416"|>]|>, "2465" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2466" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "2467" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "2468" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2469" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2470" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "2471" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "2472" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2473" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "2474" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "2475" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "2476" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "2477" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "2478" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "2479" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2480" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "2481" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "2482" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2483" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.6, "KilocaloriesThermochemical"/"Moles"]|>, "2484" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2485" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "2486" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "2487" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2488" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "2489" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2490" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "2491" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "2492" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "2493" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2494" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2495" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "2496" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2497" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "2498" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "2499" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "2500" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2501" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "2502" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2503" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.3, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "2015152", <|"URL" -> "http://zinc15.docking.org/substances/ZINC2015152"|>]|>, "2504" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2505" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "2506" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "2507" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2508" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "2509" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "2510" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "2511" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "2512" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "2513" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "2514" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2515" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"]|>, "2516" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "2517" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "2518" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "2519" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "2520" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "2521" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "2522" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2523" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2524" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "2525" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2526" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "2527" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.1, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "58117", <|"URL" -> "http://zinc15.docking.org/substances/ZINC58117"|>]|>, "2528" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "2529" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "2530" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "2531" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "2532" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "2533" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "2534" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "2535" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2536" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "2537" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "2538" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2539" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2540" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.9, "KilocaloriesThermochemical"/"Moles"]|>, "2541" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.7, "KilocaloriesThermochemical"/"Moles"]|>, "2542" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "2543" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.6, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "1689527", <|"URL" -> "http://zinc15.docking.org/substances/ZINC1689527"|>]|>, "2544" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "2545" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "2546" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2547" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2548" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "2549" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "2550" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "2551" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2552" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "2553" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "2554" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "2555" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2556" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "2557" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2558" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "2559" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "2560" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "2561" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "2562" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "2563" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "2564" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "2565" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "2566" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "2567" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2568" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "2569" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2570" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2571" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "2572" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "2573" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "2574" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "2575" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "2576" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2577" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.3, "KilocaloriesThermochemical"/"Moles"]|>, "2578" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "2579" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "2580" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "2581" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "2582" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "2583" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "2584" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "2585" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "2586" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "2587" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "2588" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "2589" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2590" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2591" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "2592" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "2593" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "2594" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "2595" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "2596" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2597" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.2, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "4096944", <|"URL" -> "http://zinc15.docking.org/substances/ZINC4096944"|>]|>, "2598" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.6, "KilocaloriesThermochemical"/"Moles"]|>, "2599" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "2600" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "2601" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.5, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "4654623", <|"URL" -> "http://zinc15.docking.org/substances/ZINC4654623"|>]|>, "2602" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "2603" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "2604" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "2605" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "2606" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "2607" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2608" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "2609" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "2610" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "2611" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "2612" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "2613" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2614" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "2615" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2616" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "2617" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2618" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2619" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2620" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "2621" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "2622" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "2623" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2624" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "2625" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2626" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2627" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2628" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2629" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2630" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2631" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2632" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2633" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "2634" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2635" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "2636" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2637" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2638" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2639" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "2640" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2641" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "2642" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "2643" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "2644" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "2645" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2646" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2647" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "2648" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "2649" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2650" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "2651" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "2652" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2653" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "2654" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "2655" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2656" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "2657" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2658" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "2659" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "2660" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "2661" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "2662" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "2663" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "2664" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "2665" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "2666" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "2667" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2668" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2669" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2670" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "2671" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2672" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "2673" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "2674" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "2675" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2676" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2677" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2678" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "2679" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2680" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2681" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "2682" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2683" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "2684" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "2685" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2686" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "2687" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2688" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "2689" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "2690" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "2691" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "2692" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "2693" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.8, "KilocaloriesThermochemical"/"Moles"]|>, "2694" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2695" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2696" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.7, "KilocaloriesThermochemical"/"Moles"]|>, "2697" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "2698" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "2699" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "2700" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2701" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "2702" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "2703" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "2704" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2705" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "2706" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "2707" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "2708" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2709" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "2710" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "2711" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.8, "KilocaloriesThermochemical"/"Moles"]|>, "2712" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.8, "KilocaloriesThermochemical"/"Moles"]|>, "2713" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.4, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "1532129", <|"URL" -> "http://zinc15.docking.org/substances/ZINC1532129"|>]|>, "2714" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.2, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "1532129", <|"URL" -> "http://zinc15.docking.org/substances/ZINC1532129"|>]|>, "2715" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "2716" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2717" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2718" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "2719" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "2720" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "2721" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "2722" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "2723" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "2724" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "2725" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "2726" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "2727" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2728" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "2729" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2730" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2731" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2732" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2733" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "2734" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2735" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2736" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2737" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "2738" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "2739" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "2740" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2741" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "2742" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "2743" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "2744" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "2745" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "2746" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "2747" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2748" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2749" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "2750" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "2751" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "2752" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2753" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "2754" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "2755" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "2756" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "2757" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "2758" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "2759" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2760" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2761" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.2, "KilocaloriesThermochemical"/"Moles"]|>, "2762" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "2763" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "2764" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2765" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "2766" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.1, "KilocaloriesThermochemical"/"Moles"]|>, "2767" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2768" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2769" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "2770" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "2771" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "2772" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2773" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "2774" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "2775" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "2776" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "2777" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2778" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "2779" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2780" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "2781" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "2782" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "2783" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "2784" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "2785" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.7, "KilocaloriesThermochemical"/"Moles"]|>, "2786" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2787" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "2788" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "2789" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "2790" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "2791" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "2792" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "2793" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "2794" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "2795" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "2796" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "2797" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "2798" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "2799" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2800" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "2801" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "2802" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "2803" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2804" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "2805" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "2806" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "2807" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.7, "KilocaloriesThermochemical"/"Moles"]|>, "2808" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "2809" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "2810" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "2811" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "2812" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.9, "KilocaloriesThermochemical"/"Moles"]|>, "2813" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2814" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "2815" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "2816" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "2817" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "2818" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.1, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "3787060", <|"URL" -> "http://zinc15.docking.org/substances/ZINC3787060"|>]|>, "2819" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "2820" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2821" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "2822" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "2823" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "2824" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "2825" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.5, "KilocaloriesThermochemical"/"Moles"]|>, "2826" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "2827" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "2828" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "2829" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.3, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "3869685", <|"URL" -> "http://zinc15.docking.org/substances/ZINC3869685"|>]|>, "2830" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "2831" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.6, "KilocaloriesThermochemical"/"Moles"]|>, "2832" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "2833" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "2834" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "2835" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "2836" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2837" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "2838" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "2839" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.6, "KilocaloriesThermochemical"/"Moles"]|>, "2840" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "2841" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "2842" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.2, "KilocaloriesThermochemical"/"Moles"]|>, "2843" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "2844" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2845" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "2846" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "2847" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "2848" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "2849" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "2850" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "2851" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "2852" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "2853" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "2854" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "2855" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "2856" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "2857" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "2858" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2859" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "2860" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2861" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "2862" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "2863" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2864" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "2865" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "2866" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "2867" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "2868" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2869" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2870" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "2871" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "2872" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "2873" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2874" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.3, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "5432583", <|"URL" -> "http://zinc15.docking.org/substances/ZINC5432583"|>]|>, "2875" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2876" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "2877" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "2878" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "2879" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2880" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7., "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "5432583", <|"URL" -> "http://zinc15.docking.org/substances/ZINC5432583"|>]|>, "2881" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "2882" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.7, "KilocaloriesThermochemical"/"Moles"]|>, "2883" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.9, "KilocaloriesThermochemical"/"Moles"]|>, "2884" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "2885" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2886" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "2887" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "2888" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "2889" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2890" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2891" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "2892" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "2893" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> 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<|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "2900" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "2901" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2902" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "2903" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "2904" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, 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<|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "2916" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "2917" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.8, "KilocaloriesThermochemical"/"Moles"]|>, "2918" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "2919" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "2920" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "2921" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "2922" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "2923" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "2924" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "2925" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "2926" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "2927" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2928" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "2929" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "2930" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.8, "KilocaloriesThermochemical"/"Moles"]|>, "2931" -> 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"KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "2937" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "2938" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "2939" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "2940" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "2941" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "2942" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "2943" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "2944" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "2945" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "2946" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.6, "KilocaloriesThermochemical"/"Moles"]|>, "2947" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2948" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2949" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2950" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2951" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2952" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2953" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2954" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2955" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7., "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "100003507", <|"URL" -> "http://zinc15.docking.org/substances/ZINC100003507"|>]|>, "2956" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "2957" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "2958" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "2959" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "2960" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "2961" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"]|>, "2962" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "2963" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "2964" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2965" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2966" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "2967" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "2968" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "2969" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "2970" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "2971" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "2972" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "2973" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "2974" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "2975" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2976" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.8, "KilocaloriesThermochemical"/"Moles"]|>, "2977" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.8, "KilocaloriesThermochemical"/"Moles"]|>, "2978" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "2979" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "2980" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "2981" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "2982" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2983" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2984" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "2985" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2986" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "2987" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "2988" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "2989" -> 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"KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "2995" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2996" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "2997" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "2998" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "2999" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> 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<|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "3054" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "3055" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "3056" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "3057" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "3058" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "3059" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "3060" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "3061" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3062" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "3063" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "3064" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3065" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "3066" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "3067" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "3068" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "3069" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "3070" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "3071" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.3, "KilocaloriesThermochemical"/"Moles"]|>, "3072" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "3073" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "3074" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "3075" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3076" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "3077" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "3078" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3079" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "3080" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "3081" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.6, "KilocaloriesThermochemical"/"Moles"]|>, "3082" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "3083" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "3084" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "3085" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "3086" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3087" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "3088" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.7, "KilocaloriesThermochemical"/"Moles"]|>, "3089" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "3090" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "3091" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "3092" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "3093" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "3094" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "3095" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.8, "KilocaloriesThermochemical"/"Moles"]|>, "3096" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.9, "KilocaloriesThermochemical"/"Moles"]|>, "3097" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.1, "KilocaloriesThermochemical"/"Moles"]|>, "3098" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "3099" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "3100" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3101" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "3102" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "3103" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "3104" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "3105" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "3106" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "3107" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.9, "KilocaloriesThermochemical"/"Moles"]|>, "3108" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "3109" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "3110" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "3111" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "3112" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "3113" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "3114" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "3115" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "3116" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "3117" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "3118" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "3119" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "3120" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.4, "KilocaloriesThermochemical"/"Moles"]|>, "3121" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "3122" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "3123" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "3124" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "3125" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "3126" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "3127" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "3128" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "3129" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "3130" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "3131" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.4, "KilocaloriesThermochemical"/"Moles"]|>, "3132" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "3133" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "3134" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.9, "KilocaloriesThermochemical"/"Moles"]|>, "3135" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "3136" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.6, "KilocaloriesThermochemical"/"Moles"]|>, "3137" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "3138" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "3139" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "3140" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "3141" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "3142" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "3143" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.7, "KilocaloriesThermochemical"/"Moles"]|>, "3144" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "3145" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "3146" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "3147" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "3148" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "3149" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "3150" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "3151" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "3152" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.1, "KilocaloriesThermochemical"/"Moles"]|>, "3153" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "3154" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0., "KilocaloriesThermochemical"/"Moles"]|>, "3155" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "3156" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"]|>, "3157" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "3158" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "3159" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "3160" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "3161" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "3162" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "3163" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "3164" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "3165" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "3166" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3167" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "3168" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3169" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "3170" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "3171" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "3172" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "3173" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "3174" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "3175" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "3176" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.7, "KilocaloriesThermochemical"/"Moles"]|>, "3177" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "3178" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "3179" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "3180" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "3181" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "3182" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "3183" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "3184" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "3185" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "3186" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "3187" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3188" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "3189" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3190" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3191" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.6, "KilocaloriesThermochemical"/"Moles"]|>, "3192" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "3193" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "3194" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "3195" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "3196" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.7, "KilocaloriesThermochemical"/"Moles"]|>, "3197" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "3198" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "3199" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "3200" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "3201" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.7, "KilocaloriesThermochemical"/"Moles"]|>, "3202" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "3203" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "3204" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "3205" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "3206" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "3207" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "3208" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "3209" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.3, "KilocaloriesThermochemical"/"Moles"]|>, "3210" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "3211" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "3212" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "3213" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "3214" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "3215" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "3216" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "3217" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "3218" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "3219" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "3220" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "3221" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "3222" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "3223" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "3224" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.7, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "3874317", <|"URL" -> "http://zinc15.docking.org/substances/ZINC3874317"|>]|>, "3225" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.5, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "6525297", <|"URL" -> "http://zinc15.docking.org/substances/ZINC6525297"|>]|>, "3226" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "3227" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "3228" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3229" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "3230" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "3231" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "3232" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "3233" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "3234" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "3235" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "3236" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "3237" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "3238" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "3239" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "3240" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "3241" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "3242" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "3243" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "3244" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "3245" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3246" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "3247" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "3248" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "3249" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.7, "KilocaloriesThermochemical"/"Moles"]|>, "3250" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "3251" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "3252" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "3253" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "3254" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "3255" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "3256" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "3257" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "3258" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3259" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "3260" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "3261" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "3262" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "3263" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "3264" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3265" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3266" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "3267" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "3268" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "3269" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "3270" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "3271" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "3272" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "3273" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3274" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "3275" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3276" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "3277" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "3278" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3279" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "3280" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3281" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "3282" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "3283" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "3284" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.2, "KilocaloriesThermochemical"/"Moles"]|>, "3285" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "3286" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "3287" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "3288" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "3289" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "3290" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "3291" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "3292" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "3293" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "3294" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "3295" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "3296" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "3297" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3298" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3299" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "3300" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "3301" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "3302" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "3303" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "3304" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3305" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "3306" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "3307" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "3308" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "3309" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "3310" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "3311" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "3312" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "3313" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "3314" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "3315" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "3316" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "3317" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "3318" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "3319" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "3320" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "3321" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3322" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3323" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "3324" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "3325" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "3326" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "3327" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "3328" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "3329" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "3330" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "3331" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "3332" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "3333" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "3334" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "3335" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "3336" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "3337" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.5, "KilocaloriesThermochemical"/"Moles"]|>, "3338" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "3339" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "3340" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3341" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "3342" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2., "KilocaloriesThermochemical"/"Moles"]|>, "3343" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.2, "KilocaloriesThermochemical"/"Moles"]|>, "3344" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.1, "KilocaloriesThermochemical"/"Moles"]|>, "3345" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "3346" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "3347" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "3348" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.5, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "3869510", <|"URL" -> "http://zinc15.docking.org/substances/ZINC3869510"|>]|>, "3349" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "3350" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.7, "KilocaloriesThermochemical"/"Moles"]|>, "3351" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3352" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3353" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3354" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3355" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "3356" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.9, "KilocaloriesThermochemical"/"Moles"]|>, "3357" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.8, "KilocaloriesThermochemical"/"Moles"]|>, "3358" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "3359" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.5, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "4096944", <|"URL" -> "http://zinc15.docking.org/substances/ZINC4096944"|>]|>, "3360" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.9, "KilocaloriesThermochemical"/"Moles"]|>, "3361" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.2, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "4096944", <|"URL" -> "http://zinc15.docking.org/substances/ZINC4096944"|>]|>, "3362" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.7, "KilocaloriesThermochemical"/"Moles"]|>, "3363" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.7, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "4096944", <|"URL" -> "http://zinc15.docking.org/substances/ZINC4096944"|>]|>, "3364" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "3365" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "3366" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3367" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "3368" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "3369" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "3370" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "3371" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "3372" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "3373" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "3374" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3375" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "3376" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "3377" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "3378" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "3379" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "3380" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3381" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "3382" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "3383" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "3384" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "3385" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"]|>, "3386" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "3387" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "3388" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "3389" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "3390" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "3391" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "3392" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "3393" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "3394" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "3395" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "3396" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "3397" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "3398" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1., "KilocaloriesThermochemical"/"Moles"]|>, "3399" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.5, "KilocaloriesThermochemical"/"Moles"]|>, "3400" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "3401" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "3402" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "3403" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.1, "KilocaloriesThermochemical"/"Moles"]|>, "3404" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "3405" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1., "KilocaloriesThermochemical"/"Moles"]|>, "3406" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.1, "KilocaloriesThermochemical"/"Moles"]|>, "3407" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "3408" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "3409" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "3410" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3411" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "3412" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "3413" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "3414" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "3415" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "3416" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "3417" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "3418" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1., "KilocaloriesThermochemical"/"Moles"]|>, "3419" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "3420" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "3421" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "3422" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.7, "KilocaloriesThermochemical"/"Moles"]|>, "3423" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "3424" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "3425" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "3426" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "3427" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "3428" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.1, "KilocaloriesThermochemical"/"Moles"]|>, "3429" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "3430" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "3431" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "3432" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "3433" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "3434" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "3435" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3436" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "3437" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "3438" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "3439" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "3440" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "3441" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "3442" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "3443" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "3444" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "3445" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "3446" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "3447" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "3448" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "3449" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "3450" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "3451" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "3452" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[26.2, "KilocaloriesThermochemical"/"Moles"]|>, "3453" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "3454" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "3455" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "3456" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3457" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "3458" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "3459" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "3460" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "3461" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "3462" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "3463" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "3464" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3465" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3466" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3467" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3468" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "3469" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "3470" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3471" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "3472" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "3473" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "3474" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3475" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "3476" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "3477" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "3478" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "3479" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "3480" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "3481" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.2, "KilocaloriesThermochemical"/"Moles"]|>, "3482" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "3483" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "3484" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "3485" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "3486" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "3487" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "3488" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "3489" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "3490" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "3491" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "3492" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "3493" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "3494" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "3495" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "3496" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "3497" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "3498" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "3499" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "3500" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "3501" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "3502" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "3503" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "3504" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "3505" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "3506" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "3507" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "3508" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "3509" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "3510" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "3511" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "3512" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "3513" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "3514" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "3515" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "3516" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3517" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "3518" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "3519" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "3520" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "3521" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "3522" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "3523" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "3524" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "3525" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "3526" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.3, "KilocaloriesThermochemical"/"Moles"]|>, "3527" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "3528" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "3529" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "3530" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "3531" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "3532" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "3533" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "3534" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3535" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "3536" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "3537" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "3538" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "3539" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "3540" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "3541" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "3542" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.6, "KilocaloriesThermochemical"/"Moles"]|>, "3543" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "3544" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "3545" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "3546" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "3547" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "3548" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "3549" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "3550" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "3551" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "3552" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "3553" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3554" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "3555" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "3556" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "3557" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "3558" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "3559" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3560" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "3561" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "3562" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "3563" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "3564" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "3565" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "3566" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "3567" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "3568" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "3569" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "3570" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3571" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0., "KilocaloriesThermochemical"/"Moles"]|>, "3572" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.3, "KilocaloriesThermochemical"/"Moles"]|>, "3573" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.1, "KilocaloriesThermochemical"/"Moles"]|>, "3574" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.5, "KilocaloriesThermochemical"/"Moles"]|>, "3575" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.9, "KilocaloriesThermochemical"/"Moles"]|>, "3576" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.8, "KilocaloriesThermochemical"/"Moles"]|>, "3577" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0., "KilocaloriesThermochemical"/"Moles"]|>, "3578" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.9, "KilocaloriesThermochemical"/"Moles"]|>, "3579" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.4, "KilocaloriesThermochemical"/"Moles"]|>, "3580" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.1, "KilocaloriesThermochemical"/"Moles"]|>, "3581" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.4, "KilocaloriesThermochemical"/"Moles"]|>, "3582" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.4, "KilocaloriesThermochemical"/"Moles"]|>, "3583" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.1, "KilocaloriesThermochemical"/"Moles"]|>, "3584" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.7, "KilocaloriesThermochemical"/"Moles"]|>, "3585" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.3, "KilocaloriesThermochemical"/"Moles"]|>, "3586" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2., "KilocaloriesThermochemical"/"Moles"]|>, "3587" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "3588" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "3589" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3590" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1., "KilocaloriesThermochemical"/"Moles"]|>, "3591" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "3592" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "3593" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "3594" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "3595" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.3, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "15251264", <|"URL" -> "http://zinc15.docking.org/substances/ZINC15251264"|>]|>, "3596" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "3597" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "3598" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "3599" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.6, "KilocaloriesThermochemical"/"Moles"]|>, "3600" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.6, "KilocaloriesThermochemical"/"Moles"]|>, "3601" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "3602" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "3603" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "3604" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "3605" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3606" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3607" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0., "KilocaloriesThermochemical"/"Moles"]|>, "3608" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "3609" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "3610" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3611" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3612" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "3613" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "3614" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1., "KilocaloriesThermochemical"/"Moles"]|>, "3615" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "3616" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "3617" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "3618" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "3619" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "3620" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "3621" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "3622" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "3623" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "3624" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "3625" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "3626" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "3627" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "3628" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0., "KilocaloriesThermochemical"/"Moles"]|>, "3629" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.2, "KilocaloriesThermochemical"/"Moles"]|>, "3630" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.1, "KilocaloriesThermochemical"/"Moles"]|>, "3631" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.4, "KilocaloriesThermochemical"/"Moles"]|>, "3632" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.8, "KilocaloriesThermochemical"/"Moles"]|>, "3633" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.2, "KilocaloriesThermochemical"/"Moles"]|>, "3634" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.4, "KilocaloriesThermochemical"/"Moles"]|>, "3635" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.2, "KilocaloriesThermochemical"/"Moles"]|>, "3636" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.4, "KilocaloriesThermochemical"/"Moles"]|>, "3637" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.3, "KilocaloriesThermochemical"/"Moles"]|>, "3638" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "3639" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"]|>, "3640" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "3641" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "3642" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "3643" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "3644" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3645" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "3646" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3647" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3648" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "3649" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "3650" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3651" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "3652" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "3653" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "3654" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "3655" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "3656" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "3657" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "3658" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "3659" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3660" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "3661" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "3662" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3663" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.4, "KilocaloriesThermochemical"/"Moles"]|>, "3664" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "3665" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "3666" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "3667" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "3668" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "3669" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3670" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "3671" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3672" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3673" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "3674" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "3675" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "3676" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"]|>, "3677" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "3678" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2., "KilocaloriesThermochemical"/"Moles"]|>, "3679" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3680" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "3681" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "3682" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "3683" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "3684" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "3685" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "3686" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "3687" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "3688" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3689" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "3690" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "3691" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "3692" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.3, "KilocaloriesThermochemical"/"Moles"]|>, "3693" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0., "KilocaloriesThermochemical"/"Moles"]|>, "3694" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.9, "KilocaloriesThermochemical"/"Moles"]|>, "3695" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.3, "KilocaloriesThermochemical"/"Moles"]|>, "3696" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"]|>, "3697" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.4, "KilocaloriesThermochemical"/"Moles"]|>, "3698" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.6, "KilocaloriesThermochemical"/"Moles"]|>, "3699" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3., "KilocaloriesThermochemical"/"Moles"]|>, "3700" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "3701" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "3702" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.6, "KilocaloriesThermochemical"/"Moles"]|>, "3703" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.7, "KilocaloriesThermochemical"/"Moles"]|>, "3704" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "3705" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "3706" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "3707" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3708" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "3709" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "3710" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "3711" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "3712" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "3713" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "3714" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "3715" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "3716" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.9, "KilocaloriesThermochemical"/"Moles"]|>, "3717" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "3718" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "3719" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "3720" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.9, "KilocaloriesThermochemical"/"Moles"]|>, "3721" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "3722" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "3723" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "3724" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "3725" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "3726" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "3727" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "3728" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "3729" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "3730" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "3731" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "3732" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "3733" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "3734" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "3735" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "3736" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "3737" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "3738" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "3739" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "3740" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "3741" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "3742" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3743" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "3744" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "3745" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "3746" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "3747" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "3748" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "3749" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "3750" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "3751" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "3752" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "3753" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.3, "KilocaloriesThermochemical"/"Moles"]|>, "3754" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "3755" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "3756" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "3757" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "3758" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "3759" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "3760" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "3761" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "3762" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "3763" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "3764" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "3765" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "3766" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "3767" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "3768" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "3769" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "3770" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"]|>, "3771" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "3772" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "3773" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"]|>, "3774" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "3775" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "3776" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "3777" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "3778" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "3779" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.9, "KilocaloriesThermochemical"/"Moles"]|>, "3780" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.6, "KilocaloriesThermochemical"/"Moles"]|>, "3781" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1., "KilocaloriesThermochemical"/"Moles"]|>, "3782" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "3783" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "3784" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.6, "KilocaloriesThermochemical"/"Moles"]|>, "3785" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "3786" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "3787" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "3788" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "3789" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3790" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "3791" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "3792" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "3793" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "3794" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.8, "KilocaloriesThermochemical"/"Moles"]|>, "3795" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "3796" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "3797" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "3798" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "3799" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "3800" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"]|>, "3801" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.3, "KilocaloriesThermochemical"/"Moles"]|>, "3802" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "3803" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3804" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "3805" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "3806" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.6, "KilocaloriesThermochemical"/"Moles"]|>, "3807" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.4, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "4217541", <|"URL" -> "http://zinc15.docking.org/substances/ZINC4217541"|>]|>, "3808" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "3809" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3810" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.8, "KilocaloriesThermochemical"/"Moles"]|>, "3811" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.7, "KilocaloriesThermochemical"/"Moles"]|>, "3812" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "3813" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "3814" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "3815" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3816" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "3817" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "3818" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "3819" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "3820" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3821" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3822" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "3823" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3824" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2., "KilocaloriesThermochemical"/"Moles"]|>, "3825" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.5, "KilocaloriesThermochemical"/"Moles"]|>, "3826" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "3827" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "3828" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "3829" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1., "KilocaloriesThermochemical"/"Moles"]|>, "3830" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"]|>, "3831" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "3832" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "3833" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "3834" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "3835" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.6, "KilocaloriesThermochemical"/"Moles"]|>, "3836" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"]|>, "3837" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "3838" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "3839" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "3840" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "3841" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "3842" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "3843" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "3844" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "3845" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "3846" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "3847" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "3848" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "3849" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "3850" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "3851" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "3852" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "3853" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "3854" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "3855" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.9, "KilocaloriesThermochemical"/"Moles"]|>, "3856" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "3857" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.7, "KilocaloriesThermochemical"/"Moles"]|>, "3858" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.3, "KilocaloriesThermochemical"/"Moles"]|>, "3859" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.6, "KilocaloriesThermochemical"/"Moles"]|>, "3860" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "3861" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "3862" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "3863" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "3864" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "3865" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "3866" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "3867" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"]|>, "3868" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.1, "KilocaloriesThermochemical"/"Moles"]|>, "3869" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "3870" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.7, "KilocaloriesThermochemical"/"Moles"]|>, "3871" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "3872" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.3, "KilocaloriesThermochemical"/"Moles"]|>, "3873" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.3, "KilocaloriesThermochemical"/"Moles"]|>, "3874" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "3875" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "3876" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.1, "KilocaloriesThermochemical"/"Moles"]|>, "3877" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.1, "KilocaloriesThermochemical"/"Moles"]|>, "3878" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "3879" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "3880" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "3881" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.1, "KilocaloriesThermochemical"/"Moles"]|>, "3882" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "3883" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "3884" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.4, "KilocaloriesThermochemical"/"Moles"]|>, "3885" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.7, "KilocaloriesThermochemical"/"Moles"]|>, "3886" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "3887" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "3888" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "3889" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "3890" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3891" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "3892" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "3893" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.5, "KilocaloriesThermochemical"/"Moles"]|>, "3894" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3., "KilocaloriesThermochemical"/"Moles"]|>, "3895" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.6, "KilocaloriesThermochemical"/"Moles"]|>, "3896" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.3, "KilocaloriesThermochemical"/"Moles"]|>, "3897" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.1, "KilocaloriesThermochemical"/"Moles"]|>, "3898" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.9, "KilocaloriesThermochemical"/"Moles"]|>, "3899" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.9, "KilocaloriesThermochemical"/"Moles"]|>, "3900" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2., "KilocaloriesThermochemical"/"Moles"]|>, "3901" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.8, "KilocaloriesThermochemical"/"Moles"]|>, "3902" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.9, "KilocaloriesThermochemical"/"Moles"]|>, "3903" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.5, "KilocaloriesThermochemical"/"Moles"]|>, "3904" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2., "KilocaloriesThermochemical"/"Moles"]|>, "3905" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.6, "KilocaloriesThermochemical"/"Moles"]|>, "3906" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.1, "KilocaloriesThermochemical"/"Moles"]|>, "3907" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1., "KilocaloriesThermochemical"/"Moles"]|>, "3908" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.5, "KilocaloriesThermochemical"/"Moles"]|>, "3909" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.3, "KilocaloriesThermochemical"/"Moles"]|>, "3910" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.5, "KilocaloriesThermochemical"/"Moles"]|>, "3911" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.9, "KilocaloriesThermochemical"/"Moles"]|>, "3912" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.3, "KilocaloriesThermochemical"/"Moles"]|>, "3913" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2., "KilocaloriesThermochemical"/"Moles"]|>, "3914" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.6, "KilocaloriesThermochemical"/"Moles"]|>, "3915" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.3, "KilocaloriesThermochemical"/"Moles"]|>, "3916" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0., "KilocaloriesThermochemical"/"Moles"]|>, "3917" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.4, "KilocaloriesThermochemical"/"Moles"]|>, "3918" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "3919" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.2, "KilocaloriesThermochemical"/"Moles"]|>, "3920" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0., "KilocaloriesThermochemical"/"Moles"]|>, "3921" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.5, "KilocaloriesThermochemical"/"Moles"]|>, "3922" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.1, "KilocaloriesThermochemical"/"Moles"]|>, "3923" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.7, "KilocaloriesThermochemical"/"Moles"]|>, "3924" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.3, "KilocaloriesThermochemical"/"Moles"]|>, "3925" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "3926" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "3927" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "3928" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3929" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "3930" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "3931" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "3932" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "3933" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.1, "KilocaloriesThermochemical"/"Moles"]|>, "3934" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.1, "KilocaloriesThermochemical"/"Moles"]|>, "3935" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3936" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "3937" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3938" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "3939" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "3940" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "3941" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "3942" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "3943" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "3944" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "3945" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "3946" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "3947" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "3948" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "3949" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.7, "KilocaloriesThermochemical"/"Moles"]|>, "3950" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "3951" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.9, "KilocaloriesThermochemical"/"Moles"]|>, "3952" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "3953" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "3954" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "3955" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "3956" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "3957" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "3958" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "3959" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.3, "KilocaloriesThermochemical"/"Moles"]|>, "3960" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "3961" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "3962" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "3963" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "3964" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "3965" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.6, "KilocaloriesThermochemical"/"Moles"]|>, "3966" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "3967" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "3968" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "3969" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.6, "KilocaloriesThermochemical"/"Moles"]|>, "3970" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.2, "KilocaloriesThermochemical"/"Moles"]|>, "3971" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "3972" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"]|>, "3973" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "3974" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "3975" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "3976" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "3977" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2., "KilocaloriesThermochemical"/"Moles"]|>, "3978" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "3979" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "3980" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "3981" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.9, "KilocaloriesThermochemical"/"Moles"]|>, "3982" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "3983" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "3984" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "3985" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.1, "KilocaloriesThermochemical"/"Moles"]|>, "3986" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "3987" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.2, "KilocaloriesThermochemical"/"Moles"]|>, "3988" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.8, "KilocaloriesThermochemical"/"Moles"]|>, "3989" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.5, "KilocaloriesThermochemical"/"Moles"]|>, "3990" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3., "KilocaloriesThermochemical"/"Moles"]|>, "3991" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.1, "KilocaloriesThermochemical"/"Moles"]|>, "3992" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.1, "KilocaloriesThermochemical"/"Moles"]|>, "3993" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.8, "KilocaloriesThermochemical"/"Moles"]|>, "3994" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "3995" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.1, "KilocaloriesThermochemical"/"Moles"]|>, "3996" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.4, "KilocaloriesThermochemical"/"Moles"]|>, "3997" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.9, "KilocaloriesThermochemical"/"Moles"]|>, "3998" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.7, "KilocaloriesThermochemical"/"Moles"]|>, "3999" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1., "KilocaloriesThermochemical"/"Moles"]|>, "4000" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "4001" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1., "KilocaloriesThermochemical"/"Moles"]|>, "4002" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.9, "KilocaloriesThermochemical"/"Moles"]|>, "4003" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "4004" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "4005" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "4006" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "4007" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "4008" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "4009" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "4010" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "4011" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "4012" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "4013" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "4014" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "4015" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "4016" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.3, "KilocaloriesThermochemical"/"Moles"]|>, "4017" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "4018" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "4019" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.1, "KilocaloriesThermochemical"/"Moles"]|>, "4020" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "4021" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "4022" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "4023" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "4024" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "4025" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.9, "KilocaloriesThermochemical"/"Moles"]|>, "4026" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.7, "KilocaloriesThermochemical"/"Moles"]|>, "4027" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "4028" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "4029" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "4030" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "4031" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "4032" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "4033" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "4034" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "4035" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "4036" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "4037" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.9, "KilocaloriesThermochemical"/"Moles"]|>, "4038" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.1, "KilocaloriesThermochemical"/"Moles"]|>, "4039" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "4040" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "4041" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "4042" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.7, "KilocaloriesThermochemical"/"Moles"]|>, "4043" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.2, "KilocaloriesThermochemical"/"Moles"]|>, "4044" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "4045" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "4046" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "4047" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "4048" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "4049" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "4050" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "4051" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "4052" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "4053" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "4054" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "4055" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "4056" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "4057" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "4058" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "4059" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "4060" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.2, "KilocaloriesThermochemical"/"Moles"]|>, "4061" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1., "KilocaloriesThermochemical"/"Moles"]|>, "4062" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "4063" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "4064" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "4065" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "4066" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "4067" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "4068" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> 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<|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "4075" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.8, "KilocaloriesThermochemical"/"Moles"]|>, "4076" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "4077" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "4078" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "4079" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.1, "KilocaloriesThermochemical"/"Moles"]|>, "4080" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.9, "KilocaloriesThermochemical"/"Moles"]|>, "4081" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.5, "KilocaloriesThermochemical"/"Moles"]|>, "4082" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.5, "KilocaloriesThermochemical"/"Moles"]|>, "4083" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.8, "KilocaloriesThermochemical"/"Moles"]|>, "4084" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.9, "KilocaloriesThermochemical"/"Moles"]|>, "4085" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.3, "KilocaloriesThermochemical"/"Moles"]|>, "4086" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.3, "KilocaloriesThermochemical"/"Moles"]|>, "4087" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.4, "KilocaloriesThermochemical"/"Moles"]|>, "4088" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.6, "KilocaloriesThermochemical"/"Moles"]|>, "4089" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7., "KilocaloriesThermochemical"/"Moles"]|>, "4090" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.3, "KilocaloriesThermochemical"/"Moles"]|>, "4091" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2., "KilocaloriesThermochemical"/"Moles"]|>, "4092" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.4, "KilocaloriesThermochemical"/"Moles"]|>, "4093" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.2, "KilocaloriesThermochemical"/"Moles"]|>, "4094" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.5, "KilocaloriesThermochemical"/"Moles"]|>, "4095" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.3, "KilocaloriesThermochemical"/"Moles"]|>, "4096" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.2, "KilocaloriesThermochemical"/"Moles"]|>, "4097" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"]|>, "4098" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.3, "KilocaloriesThermochemical"/"Moles"]|>, "4099" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "4100" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "4101" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "4102" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "4103" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "4104" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "4105" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "4106" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "4107" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "4108" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "4109" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "4110" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "4111" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "4112" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "4113" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.4, "KilocaloriesThermochemical"/"Moles"]|>, "4114" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.1, "KilocaloriesThermochemical"/"Moles"]|>, "4115" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "4116" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "4117" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.2, "KilocaloriesThermochemical"/"Moles"]|>, "4118" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.3, "KilocaloriesThermochemical"/"Moles"]|>, "4119" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.9, "KilocaloriesThermochemical"/"Moles"]|>, "4120" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.7, "KilocaloriesThermochemical"/"Moles"]|>, "4121" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "4122" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "4123" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "4124" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "4125" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "4126" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "4127" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "4128" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "4129" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "4130" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.6, "KilocaloriesThermochemical"/"Moles"]|>, "4131" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.6, "KilocaloriesThermochemical"/"Moles"]|>, "4132" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.2, "KilocaloriesThermochemical"/"Moles"]|>, "4133" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "4134" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "4135" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "4136" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "4137" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"]|>, "4138" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "4139" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "4140" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "4141" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "4142" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "4143" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "4144" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.8, "KilocaloriesThermochemical"/"Moles"]|>, "4145" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "4146" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "4147" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "4148" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "4149" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "4150" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "4151" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "4152" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.3, "KilocaloriesThermochemical"/"Moles"]|>, "4153" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "4154" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "4155" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "4156" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "4157" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "4158" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "4159" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "4160" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "4161" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "4162" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "4163" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "4164" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "4165" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "4166" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "4167" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.5, "KilocaloriesThermochemical"/"Moles"]|>, "4168" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.8, "KilocaloriesThermochemical"/"Moles"]|>, "4169" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.6, "KilocaloriesThermochemical"/"Moles"]|>, "4170" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "4171" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.5, "KilocaloriesThermochemical"/"Moles"]|>, "4172" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.9, "KilocaloriesThermochemical"/"Moles"]|>, "4173" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.1, "KilocaloriesThermochemical"/"Moles"]|>, "4174" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"]|>, "4175" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "4176" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "4177" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "4178" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.9, "KilocaloriesThermochemical"/"Moles"]|>, "4179" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "4180" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "4181" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "4182" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "4183" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "4184" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.8, "KilocaloriesThermochemical"/"Moles"]|>, "4185" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "4186" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "4187" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "4188" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "4189" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "4190" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "4191" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "4192" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "4193" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "4194" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "4195" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "4196" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.3, "KilocaloriesThermochemical"/"Moles"]|>, "4197" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "4198" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.9, "KilocaloriesThermochemical"/"Moles"]|>, "4199" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "4200" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.7, "KilocaloriesThermochemical"/"Moles"]|>, "4201" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "4202" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.3, "KilocaloriesThermochemical"/"Moles"]|>, "4203" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "4204" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "4205" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "4206" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "4207" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "4208" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "4209" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "4210" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.8, "KilocaloriesThermochemical"/"Moles"]|>, "4211" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.8, "KilocaloriesThermochemical"/"Moles"]|>, "4212" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "4213" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.7, "KilocaloriesThermochemical"/"Moles"]|>, "4214" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "4215" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "4216" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.7, "KilocaloriesThermochemical"/"Moles"]|>, "4217" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.9, "KilocaloriesThermochemical"/"Moles"]|>, "4218" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3., "KilocaloriesThermochemical"/"Moles"]|>, "4219" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.3, "KilocaloriesThermochemical"/"Moles"]|>, "4220" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2., "KilocaloriesThermochemical"/"Moles"]|>, "4221" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "4222" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "4223" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "4224" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "4225" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "4226" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "4227" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "4228" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "4229" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.9, "KilocaloriesThermochemical"/"Moles"]|>, "4230" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "4231" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "4232" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "4233" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"]|>, "4234" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "4235" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "4236" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "4237" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "4238" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "4239" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.1, "KilocaloriesThermochemical"/"Moles"]|>, "4240" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.2, "KilocaloriesThermochemical"/"Moles"]|>, "4241" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "4242" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.9, "KilocaloriesThermochemical"/"Moles"]|>, "4243" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "4244" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "4245" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "4246" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "4247" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.1, "KilocaloriesThermochemical"/"Moles"]|>, "4248" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.9, "KilocaloriesThermochemical"/"Moles"]|>, "4249" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.2, "KilocaloriesThermochemical"/"Moles"]|>, "4250" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"]|>, "4251" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "4252" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "4253" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "4254" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "4255" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "4256" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "4257" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "4258" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"]|>, "4259" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "4260" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "4261" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "4262" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.4, "KilocaloriesThermochemical"/"Moles"]|>, "4263" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "4264" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "4265" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "4266" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "4267" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.6, "KilocaloriesThermochemical"/"Moles"]|>, "4268" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "4269" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "4270" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "4271" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "4272" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "4273" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "4274" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "4275" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "4276" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "4277" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.5, "KilocaloriesThermochemical"/"Moles"]|>, "4278" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.2, "KilocaloriesThermochemical"/"Moles"]|>, "4279" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.5, "KilocaloriesThermochemical"/"Moles"]|>, "4280" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "4281" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "4282" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.5, "KilocaloriesThermochemical"/"Moles"]|>, "4283" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "4284" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "4285" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "4286" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "4287" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "4288" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "4289" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "4290" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"]|>, "4291" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "4292" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "4293" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "4294" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"]|>, "4295" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "4296" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "4297" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "4298" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "4299" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "4300" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "4301" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "4302" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.6, "KilocaloriesThermochemical"/"Moles"]|>, "4303" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.8, "KilocaloriesThermochemical"/"Moles"]|>, "4304" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.3, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "4096261", <|"URL" -> "http://zinc15.docking.org/substances/ZINC4096261"|>]|>, "4305" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "4306" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "4307" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "4308" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "4309" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "4310" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "4311" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "4312" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "4313" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "4314" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.6, "KilocaloriesThermochemical"/"Moles"]|>, "4315" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "4316" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "4317" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "4318" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "4319" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "4320" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "4321" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "4322" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "4323" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "4324" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "4325" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.2, "KilocaloriesThermochemical"/"Moles"]|>, "4326" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.5, "KilocaloriesThermochemical"/"Moles"]|>, "4327" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "4328" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "4329" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "4330" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "4331" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "4332" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "4333" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"]|>, "4334" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "4335" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "4336" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "4337" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "4338" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.3, "KilocaloriesThermochemical"/"Moles"]|>, "4339" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.6, "KilocaloriesThermochemical"/"Moles"]|>, "4340" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "4341" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.5, "KilocaloriesThermochemical"/"Moles"]|>, "4342" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "4343" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"]|>, "4344" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "4345" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "4346" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.5, "KilocaloriesThermochemical"/"Moles"]|>, "4347" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"]|>, "4348" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2., "KilocaloriesThermochemical"/"Moles"]|>, "4349" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.7, "KilocaloriesThermochemical"/"Moles"]|>, "4350" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.4, "KilocaloriesThermochemical"/"Moles"]|>, "4351" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "4352" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.9, "KilocaloriesThermochemical"/"Moles"]|>, "4353" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "4354" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.9, "KilocaloriesThermochemical"/"Moles"]|>, "4355" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"]|>, "4356" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.2, "KilocaloriesThermochemical"/"Moles"]|>, "4357" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "4358" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "4359" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.7, "KilocaloriesThermochemical"/"Moles"]|>, "4360" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.2, "KilocaloriesThermochemical"/"Moles"]|>, "4361" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1., "KilocaloriesThermochemical"/"Moles"]|>, "4362" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "4363" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "4364" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.5, "KilocaloriesThermochemical"/"Moles"]|>, "4365" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "4366" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2., "KilocaloriesThermochemical"/"Moles"]|>, "4367" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "4368" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "4369" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.6, "KilocaloriesThermochemical"/"Moles"]|>, "4370" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "4371" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0., "KilocaloriesThermochemical"/"Moles"]|>, "4372" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.2, "KilocaloriesThermochemical"/"Moles"]|>, "4373" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.3, "KilocaloriesThermochemical"/"Moles"]|>, "4374" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.1, "KilocaloriesThermochemical"/"Moles"]|>, "4375" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "4376" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"]|>, "4377" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.1, "KilocaloriesThermochemical"/"Moles"]|>, "4378" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "4379" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "4380" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.5, "KilocaloriesThermochemical"/"Moles"]|>, "4381" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "4382" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.9, "KilocaloriesThermochemical"/"Moles"]|>, "4383" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1., "KilocaloriesThermochemical"/"Moles"]|>, "4384" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.9, "KilocaloriesThermochemical"/"Moles"]|>, "4385" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "4386" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0., "KilocaloriesThermochemical"/"Moles"]|>, "4387" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "4388" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "4389" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "4390" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "4391" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.4, "KilocaloriesThermochemical"/"Moles"]|>, "4392" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "4393" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "4394" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.2, "KilocaloriesThermochemical"/"Moles"]|>, "4395" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "4396" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "4397" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.1, "KilocaloriesThermochemical"/"Moles"]|>, "4398" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3., "KilocaloriesThermochemical"/"Moles"]|>, "4399" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.4, "KilocaloriesThermochemical"/"Moles"]|>, "4400" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.2, "KilocaloriesThermochemical"/"Moles"]|>, "4401" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.4, "KilocaloriesThermochemical"/"Moles"]|>, "4402" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.3, "KilocaloriesThermochemical"/"Moles"]|>, "4403" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.8, "KilocaloriesThermochemical"/"Moles"]|>, "4404" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.2, "KilocaloriesThermochemical"/"Moles"]|>, "4405" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.1, "KilocaloriesThermochemical"/"Moles"]|>, "4406" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.8, "KilocaloriesThermochemical"/"Moles"]|>, "4407" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.3, "KilocaloriesThermochemical"/"Moles"]|>, "4408" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.4, "KilocaloriesThermochemical"/"Moles"]|>, "4409" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"]|>, "4410" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"]|>, "4411" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0., "KilocaloriesThermochemical"/"Moles"]|>, "4412" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.4, "KilocaloriesThermochemical"/"Moles"]|>, "4413" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.6, "KilocaloriesThermochemical"/"Moles"]|>, "4414" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.9, "KilocaloriesThermochemical"/"Moles"]|>, "4415" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "4416" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "4417" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "4418" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "4419" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "4420" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1., "KilocaloriesThermochemical"/"Moles"]|>, "4421" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "4422" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.6, "KilocaloriesThermochemical"/"Moles"]|>, "4423" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2., "KilocaloriesThermochemical"/"Moles"]|>, "4424" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.9, "KilocaloriesThermochemical"/"Moles"]|>, "4425" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.4, "KilocaloriesThermochemical"/"Moles"]|>, "4426" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.3, "KilocaloriesThermochemical"/"Moles"]|>, "4427" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0., "KilocaloriesThermochemical"/"Moles"]|>, "4428" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "4429" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "4430" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "4431" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "4432" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"]|>, "4433" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.6, "KilocaloriesThermochemical"/"Moles"]|>, "4434" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "4435" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "4436" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.9, "KilocaloriesThermochemical"/"Moles"]|>, "4437" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1., "KilocaloriesThermochemical"/"Moles"]|>, "4438" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.9, "KilocaloriesThermochemical"/"Moles"]|>, "4439" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.3, "KilocaloriesThermochemical"/"Moles"]|>, "4440" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3., "KilocaloriesThermochemical"/"Moles"]|>, "4441" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "4442" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "4443" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "4444" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.7, "KilocaloriesThermochemical"/"Moles"]|>, "4445" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.4, "KilocaloriesThermochemical"/"Moles"]|>, "4446" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.7, "KilocaloriesThermochemical"/"Moles"]|>, "4447" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "4448" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "4449" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "4450" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "4451" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "4452" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "4453" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "4454" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "4455" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "4456" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "4457" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "4458" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "4459" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "4460" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "4461" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "4462" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "4463" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "4464" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "4465" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "4466" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "4467" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "4468" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "4469" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "4470" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "4471" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "4472" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.7, "KilocaloriesThermochemical"/"Moles"]|>, "4473" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "4474" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.3, "KilocaloriesThermochemical"/"Moles"]|>, "4475" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "4476" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "4477" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "4478" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "4479" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "4480" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "4481" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "4482" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "4483" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "4484" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "4485" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "4486" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "4487" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "4488" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "4489" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "4490" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> 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<|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "4497" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "4498" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "4499" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "4500" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "4501" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "4502" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "4503" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "4504" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "4505" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.7, "KilocaloriesThermochemical"/"Moles"]|>, "4506" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.3, "KilocaloriesThermochemical"/"Moles"]|>, "4507" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.4, "KilocaloriesThermochemical"/"Moles"]|>, "4508" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.5, "KilocaloriesThermochemical"/"Moles"]|>, "4509" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "4510" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "4511" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "4512" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "4513" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "4514" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.7, "KilocaloriesThermochemical"/"Moles"]|>, "4515" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.7, "KilocaloriesThermochemical"/"Moles"]|>, "4516" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.7, "KilocaloriesThermochemical"/"Moles"]|>, "4517" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.3, "KilocaloriesThermochemical"/"Moles"]|>, "4518" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.6, "KilocaloriesThermochemical"/"Moles"]|>, "4519" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.8, "KilocaloriesThermochemical"/"Moles"]|>, "4520" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.3, "KilocaloriesThermochemical"/"Moles"]|>, "4521" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.9, "KilocaloriesThermochemical"/"Moles"]|>, "4522" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.5, "KilocaloriesThermochemical"/"Moles"]|>, "4523" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.3, "KilocaloriesThermochemical"/"Moles"]|>, "4524" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.6, "KilocaloriesThermochemical"/"Moles"]|>, "4525" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.4, "KilocaloriesThermochemical"/"Moles"]|>, "4526" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.8, "KilocaloriesThermochemical"/"Moles"]|>, "4527" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.2, "KilocaloriesThermochemical"/"Moles"]|>, "4528" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.2, "KilocaloriesThermochemical"/"Moles"]|>, "4529" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"]|>, "4530" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.7, "KilocaloriesThermochemical"/"Moles"]|>, "4531" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.5, "KilocaloriesThermochemical"/"Moles"]|>, "4532" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.3, "KilocaloriesThermochemical"/"Moles"]|>, "4533" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "4534" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"]|>, "4535" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "4536" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.4, "KilocaloriesThermochemical"/"Moles"]|>, "4537" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "4538" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "4539" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "4540" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "4541" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "4542" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "4543" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.2, "KilocaloriesThermochemical"/"Moles"]|>, "4544" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.3, "KilocaloriesThermochemical"/"Moles"]|>, "4545" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "4546" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "4547" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.4, "KilocaloriesThermochemical"/"Moles"]|>, "4548" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.4, "KilocaloriesThermochemical"/"Moles"]|>, "4549" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.8, "KilocaloriesThermochemical"/"Moles"]|>, "4550" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.2, "KilocaloriesThermochemical"/"Moles"]|>, "4551" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.9, "KilocaloriesThermochemical"/"Moles"]|>, "4552" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "4553" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.3, "KilocaloriesThermochemical"/"Moles"]|>, "4554" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.4, "KilocaloriesThermochemical"/"Moles"]|>, "4555" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.5, "KilocaloriesThermochemical"/"Moles"]|>, "4556" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.1, "KilocaloriesThermochemical"/"Moles"]|>, "4557" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.7, "KilocaloriesThermochemical"/"Moles"]|>, "4558" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.2, "KilocaloriesThermochemical"/"Moles"]|>, "4559" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0., "KilocaloriesThermochemical"/"Moles"]|>, "4560" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.1, "KilocaloriesThermochemical"/"Moles"]|>, "4561" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.9, "KilocaloriesThermochemical"/"Moles"]|>, "4562" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "4563" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.6, "KilocaloriesThermochemical"/"Moles"]|>, "4564" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.3, "KilocaloriesThermochemical"/"Moles"]|>, "4565" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "4566" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "4567" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.9, "KilocaloriesThermochemical"/"Moles"]|>, "4568" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "4569" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "4570" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "4571" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "4572" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "4573" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "4574" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.9, "KilocaloriesThermochemical"/"Moles"]|>, "4575" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.7, "KilocaloriesThermochemical"/"Moles"]|>, "4576" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.8, "KilocaloriesThermochemical"/"Moles"]|>, "4577" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.7, "KilocaloriesThermochemical"/"Moles"]|>, "4578" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.1, "KilocaloriesThermochemical"/"Moles"]|>, "4579" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.1, "KilocaloriesThermochemical"/"Moles"]|>, "4580" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.6, "KilocaloriesThermochemical"/"Moles"]|>, "4581" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.8, "KilocaloriesThermochemical"/"Moles"]|>, "4582" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "4583" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "4584" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "4585" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "4586" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "4587" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.2, "KilocaloriesThermochemical"/"Moles"]|>, "4588" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "4589" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "4590" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "4591" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "4592" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "4593" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "4594" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "4595" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.1, "KilocaloriesThermochemical"/"Moles"]|>, "4596" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.6, "KilocaloriesThermochemical"/"Moles"]|>, "4597" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.3, "KilocaloriesThermochemical"/"Moles"]|>, "4598" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.8, "KilocaloriesThermochemical"/"Moles"]|>, "4599" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "4600" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.6, "KilocaloriesThermochemical"/"Moles"]|>, "4601" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "4602" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "4603" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.1, "KilocaloriesThermochemical"/"Moles"]|>, "4604" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.5, "KilocaloriesThermochemical"/"Moles"]|>, "4605" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"]|>, "4606" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.7, "KilocaloriesThermochemical"/"Moles"]|>, "4607" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "4608" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "4609" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "4610" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "4611" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "4612" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "4613" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "4614" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "4615" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.7, "KilocaloriesThermochemical"/"Moles"]|>, "4616" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "4617" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "4618" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "4619" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "4620" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "4621" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "4622" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "4623" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "4624" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0., "KilocaloriesThermochemical"/"Moles"]|>, "4625" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "4626" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.9, "KilocaloriesThermochemical"/"Moles"]|>, "4627" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "4628" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4., "KilocaloriesThermochemical"/"Moles"]|>, "4629" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "4630" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "4631" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "4632" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "4633" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.3, "KilocaloriesThermochemical"/"Moles"]|>, "4634" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.6, "KilocaloriesThermochemical"/"Moles"]|>, "4635" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "4636" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "4637" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "4638" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "4639" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "4640" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "4641" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "4642" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "4643" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"]|>, "4644" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1., "KilocaloriesThermochemical"/"Moles"]|>, "4645" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.9, "KilocaloriesThermochemical"/"Moles"]|>, "4646" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "4647" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.5, "KilocaloriesThermochemical"/"Moles"]|>, "4648" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "4649" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.3, "KilocaloriesThermochemical"/"Moles"]|>, "4650" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "4651" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "4652" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2., "KilocaloriesThermochemical"/"Moles"]|>, "4653" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "4654" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "4655" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "4656" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "4657" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "4658" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "4659" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "4660" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "4661" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "4662" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "4663" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "4664" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.3, "KilocaloriesThermochemical"/"Moles"]|>, "4665" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.2, "KilocaloriesThermochemical"/"Moles"]|>, "4666" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "4667" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "4668" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "4669" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "4670" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "4671" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "4672" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "4673" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "4674" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "4675" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "4676" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "4677" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "4678" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.9, "KilocaloriesThermochemical"/"Moles"]|>, "4679" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "4680" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "4681" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.7, "KilocaloriesThermochemical"/"Moles"]|>, "4682" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"]|>, "4683" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1., "KilocaloriesThermochemical"/"Moles"]|>, "4684" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "4685" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "4686" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "4687" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "4688" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "4689" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.4, "KilocaloriesThermochemical"/"Moles"]|>, "4690" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.6, "KilocaloriesThermochemical"/"Moles"]|>, "4691" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.2, "KilocaloriesThermochemical"/"Moles"]|>, "4692" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "4693" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "4694" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "4695" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "4696" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "4697" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "4698" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "4699" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "4700" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "4701" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "4702" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "4703" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0., "KilocaloriesThermochemical"/"Moles"]|>, "4704" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "4705" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "4706" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.1, "KilocaloriesThermochemical"/"Moles"]|>, "4707" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "4708" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "4709" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "4710" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "4711" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "4712" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "4713" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "4714" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.2, "KilocaloriesThermochemical"/"Moles"]|>, "4715" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.9, "KilocaloriesThermochemical"/"Moles"]|>, "4716" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.7, "KilocaloriesThermochemical"/"Moles"]|>, "4717" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.5, "KilocaloriesThermochemical"/"Moles"]|>, "4718" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.8, "KilocaloriesThermochemical"/"Moles"]|>, "4719" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.2, "KilocaloriesThermochemical"/"Moles"]|>, "4720" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.4, "KilocaloriesThermochemical"/"Moles"]|>, "4721" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.9, "KilocaloriesThermochemical"/"Moles"]|>, "4722" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.1, "KilocaloriesThermochemical"/"Moles"]|>, "4723" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.8, "KilocaloriesThermochemical"/"Moles"]|>, "4724" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.9, "KilocaloriesThermochemical"/"Moles"]|>, "4725" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.9, "KilocaloriesThermochemical"/"Moles"]|>, "4726" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.1, "KilocaloriesThermochemical"/"Moles"]|>, "4727" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.2, "KilocaloriesThermochemical"/"Moles"]|>, "4728" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.1, "KilocaloriesThermochemical"/"Moles"]|>, "4729" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.6, "KilocaloriesThermochemical"/"Moles"]|>, "4730" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "4731" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "4732" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "4733" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.3, "KilocaloriesThermochemical"/"Moles"]|>, "4734" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "4735" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8., "KilocaloriesThermochemical"/"Moles"]|>, "4736" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.1, "KilocaloriesThermochemical"/"Moles"]|>, "4737" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.9, "KilocaloriesThermochemical"/"Moles"]|>, "4738" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.2, "KilocaloriesThermochemical"/"Moles"]|>, "4739" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.2, "KilocaloriesThermochemical"/"Moles"]|>, "4740" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.2, "KilocaloriesThermochemical"/"Moles"]|>, "4741" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.9, "KilocaloriesThermochemical"/"Moles"]|>, "4742" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.7, "KilocaloriesThermochemical"/"Moles"]|>, "4743" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.3, "KilocaloriesThermochemical"/"Moles"]|>, "4744" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.1, "KilocaloriesThermochemical"/"Moles"]|>, "4745" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.4, "KilocaloriesThermochemical"/"Moles"]|>, "4746" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.7, "KilocaloriesThermochemical"/"Moles"]|>, "4747" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.9, "KilocaloriesThermochemical"/"Moles"]|>, "4748" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.9, "KilocaloriesThermochemical"/"Moles"]|>, "4749" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.4, "KilocaloriesThermochemical"/"Moles"]|>, "4750" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.1, "KilocaloriesThermochemical"/"Moles"]|>, "4751" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.5, "KilocaloriesThermochemical"/"Moles"]|>, "4752" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.8, "KilocaloriesThermochemical"/"Moles"]|>, "4753" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "4754" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "4755" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "4756" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "4757" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "4758" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "4759" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "4760" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "4761" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "4762" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "4763" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "4764" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "4765" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "4766" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "4767" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.2, "KilocaloriesThermochemical"/"Moles"]|>, "4768" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "4769" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[28.8, "KilocaloriesThermochemical"/"Moles"]|>, "4770" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "4771" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "4772" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "4773" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "4774" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"]|>, "4775" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "4776" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "4777" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "4778" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "4779" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "4780" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "4781" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "4782" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "4783" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "4784" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.2, "KilocaloriesThermochemical"/"Moles"]|>, "4785" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "4786" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.2, "KilocaloriesThermochemical"/"Moles"]|>, "4787" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "4788" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.2, "KilocaloriesThermochemical"/"Moles"]|>, "4789" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.5, "KilocaloriesThermochemical"/"Moles"]|>, "4790" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.5, "KilocaloriesThermochemical"/"Moles"]|>, "4791" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.3, "KilocaloriesThermochemical"/"Moles"]|>, "4792" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.3, "KilocaloriesThermochemical"/"Moles"]|>, "4793" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.9, "KilocaloriesThermochemical"/"Moles"]|>, "4794" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.1, "KilocaloriesThermochemical"/"Moles"]|>, "4795" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.3, "KilocaloriesThermochemical"/"Moles"]|>, "4796" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"]|>, "4797" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.5, "KilocaloriesThermochemical"/"Moles"]|>, "4798" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.4, "KilocaloriesThermochemical"/"Moles"]|>, "4799" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.2, "KilocaloriesThermochemical"/"Moles"]|>, "4800" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.9, "KilocaloriesThermochemical"/"Moles"]|>, "4801" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.9, "KilocaloriesThermochemical"/"Moles"]|>, "4802" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1., "KilocaloriesThermochemical"/"Moles"]|>, "4803" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.7, "KilocaloriesThermochemical"/"Moles"]|>, "4804" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2., "KilocaloriesThermochemical"/"Moles"]|>, "4805" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.8, "KilocaloriesThermochemical"/"Moles"]|>, "4806" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.1, "KilocaloriesThermochemical"/"Moles"]|>, "4807" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "4808" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "4809" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "4810" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "4811" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "4812" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "4813" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "4814" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "4815" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "4816" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "4817" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "4818" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "4819" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "4820" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "4821" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "4822" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "4823" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "4824" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.2, "KilocaloriesThermochemical"/"Moles"]|>, "4825" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.1, "KilocaloriesThermochemical"/"Moles"]|>, "4826" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[26.9, "KilocaloriesThermochemical"/"Moles"]|>, "4827" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.3, "KilocaloriesThermochemical"/"Moles"]|>, "4828" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "4829" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "4830" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "4831" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0., "KilocaloriesThermochemical"/"Moles"]|>, "4832" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.4, "KilocaloriesThermochemical"/"Moles"]|>, "4833" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.4, "KilocaloriesThermochemical"/"Moles"]|>, "4834" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.1, "KilocaloriesThermochemical"/"Moles"]|>, "4835" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.4, "KilocaloriesThermochemical"/"Moles"]|>, "4836" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "4837" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.1, "KilocaloriesThermochemical"/"Moles"]|>, "4838" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "4839" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "4840" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "4841" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "4842" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "4843" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "4844" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"]|>, "4845" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "4846" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "4847" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "4848" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "4849" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "4850" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "4851" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "4852" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.6, "KilocaloriesThermochemical"/"Moles"]|>, "4853" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "4854" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "4855" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "4856" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "4857" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "4858" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "4859" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "4860" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "4861" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "4862" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "4863" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "4864" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "4865" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "4866" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "4867" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.7, "KilocaloriesThermochemical"/"Moles"]|>, "4868" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "4869" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2., "KilocaloriesThermochemical"/"Moles"]|>, "4870" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.8, "KilocaloriesThermochemical"/"Moles"]|>, "4871" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.1, "KilocaloriesThermochemical"/"Moles"]|>, "4872" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "4873" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.9, "KilocaloriesThermochemical"/"Moles"]|>, "4874" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.3, "KilocaloriesThermochemical"/"Moles"]|>, "4875" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.7, "KilocaloriesThermochemical"/"Moles"]|>, "4876" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.7, "KilocaloriesThermochemical"/"Moles"]|>, "4877" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.6, "KilocaloriesThermochemical"/"Moles"]|>, "4878" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.9, "KilocaloriesThermochemical"/"Moles"]|>, "4879" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.3, "KilocaloriesThermochemical"/"Moles"]|>, "4880" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.8, "KilocaloriesThermochemical"/"Moles"]|>, "4881" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.4, "KilocaloriesThermochemical"/"Moles"]|>, "4882" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.6, "KilocaloriesThermochemical"/"Moles"]|>, "4883" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.8, "KilocaloriesThermochemical"/"Moles"]|>, "4884" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.2, "KilocaloriesThermochemical"/"Moles"]|>, "4885" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.2, "KilocaloriesThermochemical"/"Moles"]|>, "4886" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.5, "KilocaloriesThermochemical"/"Moles"]|>, "4887" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "4888" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.6, "KilocaloriesThermochemical"/"Moles"]|>, "4889" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1., "KilocaloriesThermochemical"/"Moles"]|>, "4890" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1., "KilocaloriesThermochemical"/"Moles"]|>, "4891" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "4892" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "4893" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "4894" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"]|>, "4895" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "4896" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "4897" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "4898" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "4899" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "4900" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "4901" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "4902" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "4903" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "4904" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "4905" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "4906" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "4907" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "4908" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "4909" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "4910" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.9, "KilocaloriesThermochemical"/"Moles"]|>, "4911" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "4912" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "4913" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "4914" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "4915" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1., "KilocaloriesThermochemical"/"Moles"]|>, "4916" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.2, "KilocaloriesThermochemical"/"Moles"]|>, "4917" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "4918" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "4919" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "4920" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "4921" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "4922" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "4923" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "4924" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.5, "KilocaloriesThermochemical"/"Moles"]|>, "4925" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.2, "KilocaloriesThermochemical"/"Moles"]|>, "4926" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.2, "KilocaloriesThermochemical"/"Moles"]|>, "4927" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.9, "KilocaloriesThermochemical"/"Moles"]|>, "4928" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.7, "KilocaloriesThermochemical"/"Moles"]|>, "4929" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "4930" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "4931" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "4932" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "4933" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "4934" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.1, "KilocaloriesThermochemical"/"Moles"]|>, "4935" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "4936" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "4937" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "4938" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "4939" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "4940" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "4941" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "4942" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "4943" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "4944" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "4945" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "4946" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "4947" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "4948" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.6, "KilocaloriesThermochemical"/"Moles"]|>, "4949" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.1, "KilocaloriesThermochemical"/"Moles"]|>, "4950" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.7, "KilocaloriesThermochemical"/"Moles"]|>, "4951" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.6, "KilocaloriesThermochemical"/"Moles"]|>, "4952" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.1, "KilocaloriesThermochemical"/"Moles"]|>, "4953" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.4, "KilocaloriesThermochemical"/"Moles"]|>, "4954" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.4, "KilocaloriesThermochemical"/"Moles"]|>, "4955" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.1, "KilocaloriesThermochemical"/"Moles"]|>, "4956" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.4, "KilocaloriesThermochemical"/"Moles"]|>, "4957" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.9, "KilocaloriesThermochemical"/"Moles"]|>, "4958" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "4959" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"]|>, "4960" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.5, "KilocaloriesThermochemical"/"Moles"]|>, "4961" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.8, "KilocaloriesThermochemical"/"Moles"]|>, "4962" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.6, "KilocaloriesThermochemical"/"Moles"]|>, "4963" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.7, "KilocaloriesThermochemical"/"Moles"]|>, "4964" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "4965" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.8, "KilocaloriesThermochemical"/"Moles"]|>, "4966" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.2, "KilocaloriesThermochemical"/"Moles"]|>, "4967" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.1, "KilocaloriesThermochemical"/"Moles"]|>, "4968" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.1, "KilocaloriesThermochemical"/"Moles"]|>, "4969" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.2, "KilocaloriesThermochemical"/"Moles"]|>, "4970" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.9, "KilocaloriesThermochemical"/"Moles"]|>, "4971" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.5, "KilocaloriesThermochemical"/"Moles"]|>, "4972" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.6, "KilocaloriesThermochemical"/"Moles"]|>, "4973" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.7, "KilocaloriesThermochemical"/"Moles"]|>, "4974" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.2, "KilocaloriesThermochemical"/"Moles"]|>, "4975" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.3, "KilocaloriesThermochemical"/"Moles"]|>, "4976" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.1, "KilocaloriesThermochemical"/"Moles"]|>, "4977" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.1, "KilocaloriesThermochemical"/"Moles"]|>, "4978" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.2, "KilocaloriesThermochemical"/"Moles"]|>, "4979" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.9, "KilocaloriesThermochemical"/"Moles"]|>, "4980" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.6, "KilocaloriesThermochemical"/"Moles"]|>, "4981" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.2, "KilocaloriesThermochemical"/"Moles"]|>, "4982" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "4983" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "4984" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "4985" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "4986" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "4987" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "4988" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "4989" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.8, "KilocaloriesThermochemical"/"Moles"]|>, "4990" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "4991" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "4992" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.7, "KilocaloriesThermochemical"/"Moles"]|>, "4993" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "4994" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "4995" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.7, "KilocaloriesThermochemical"/"Moles"]|>, "4996" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "4997" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "4998" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "4999" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.1, "KilocaloriesThermochemical"/"Moles"]|>, "5000" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "5001" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "5002" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "5003" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.3, "KilocaloriesThermochemical"/"Moles"]|>, "5004" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2., "KilocaloriesThermochemical"/"Moles"]|>, "5005" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.1, "KilocaloriesThermochemical"/"Moles"]|>, "5006" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.5, "KilocaloriesThermochemical"/"Moles"]|>, "5007" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.6, "KilocaloriesThermochemical"/"Moles"]|>, "5008" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "5009" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "5010" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"]|>, "5011" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "5012" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "5013" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "5014" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "5015" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.4, "KilocaloriesThermochemical"/"Moles"]|>, "5016" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.1, "KilocaloriesThermochemical"/"Moles"]|>, "5017" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "5018" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "5019" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "5020" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "5021" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "5022" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "5023" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "5024" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.5, "KilocaloriesThermochemical"/"Moles"]|>, "5025" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "5026" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.6, "KilocaloriesThermochemical"/"Moles"]|>, "5027" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.2, "KilocaloriesThermochemical"/"Moles"]|>, "5028" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"]|>, "5029" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "5030" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "5031" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "5032" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "5033" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "5034" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "5035" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "5036" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "5037" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "5038" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "5039" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "5040" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "5041" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "5042" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "5043" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "5044" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "5045" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "5046" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "5047" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "5048" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "5049" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "5050" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "5051" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.7, "KilocaloriesThermochemical"/"Moles"]|>, "5052" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "5053" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.7, "KilocaloriesThermochemical"/"Moles"]|>, "5054" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"]|>, "5055" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "5056" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "5057" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "5058" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "5059" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "5060" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "5061" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "5062" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "5063" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "5064" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "5065" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "5066" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "5067" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "5068" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.2, "KilocaloriesThermochemical"/"Moles"]|>, "5069" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "5070" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "5071" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "5072" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "5073" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.2, "KilocaloriesThermochemical"/"Moles"]|>, "5074" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.1, "KilocaloriesThermochemical"/"Moles"]|>, "5075" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.9, "KilocaloriesThermochemical"/"Moles"]|>, "5076" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.2, "KilocaloriesThermochemical"/"Moles"]|>, "5077" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.2, "KilocaloriesThermochemical"/"Moles"]|>, "5078" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.7, "KilocaloriesThermochemical"/"Moles"]|>, "5079" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.3, "KilocaloriesThermochemical"/"Moles"]|>, "5080" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.3, "KilocaloriesThermochemical"/"Moles"]|>, "5081" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.3, "KilocaloriesThermochemical"/"Moles"]|>, "5082" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.7, "KilocaloriesThermochemical"/"Moles"]|>, "5083" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.5, "KilocaloriesThermochemical"/"Moles"]|>, "5084" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.1, "KilocaloriesThermochemical"/"Moles"]|>, "5085" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.9, "KilocaloriesThermochemical"/"Moles"]|>, "5086" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.6, "KilocaloriesThermochemical"/"Moles"]|>, "5087" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.2, "KilocaloriesThermochemical"/"Moles"]|>, "5088" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.7, "KilocaloriesThermochemical"/"Moles"]|>, "5089" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.7, "KilocaloriesThermochemical"/"Moles"]|>, "5090" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.9, "KilocaloriesThermochemical"/"Moles"]|>, "5091" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0., "KilocaloriesThermochemical"/"Moles"]|>, "5092" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "5093" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1., "KilocaloriesThermochemical"/"Moles"]|>, "5094" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.6, "KilocaloriesThermochemical"/"Moles"]|>, "5095" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "5096" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.1, "KilocaloriesThermochemical"/"Moles"]|>, "5097" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.4, "KilocaloriesThermochemical"/"Moles"]|>, "5098" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "5099" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "5100" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "5101" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "5102" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "5103" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "5104" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "5105" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "5106" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "5107" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "5108" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "5109" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "5110" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "5111" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "5112" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "5113" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.9, "KilocaloriesThermochemical"/"Moles"]|>, "5114" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "5115" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.2, "KilocaloriesThermochemical"/"Moles"]|>, "5116" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "5117" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "5118" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "5119" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "5120" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0., "KilocaloriesThermochemical"/"Moles"]|>, "5121" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "5122" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "5123" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "5124" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1., "KilocaloriesThermochemical"/"Moles"]|>, "5125" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.9, "KilocaloriesThermochemical"/"Moles"]|>, "5126" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.7, "KilocaloriesThermochemical"/"Moles"]|>, "5127" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.2, "KilocaloriesThermochemical"/"Moles"]|>, "5128" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.8, "KilocaloriesThermochemical"/"Moles"]|>, "5129" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.5, "KilocaloriesThermochemical"/"Moles"]|>, "5130" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.3, "KilocaloriesThermochemical"/"Moles"]|>, "5131" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.3, "KilocaloriesThermochemical"/"Moles"]|>, "5132" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.6, "KilocaloriesThermochemical"/"Moles"]|>, "5133" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.3, "KilocaloriesThermochemical"/"Moles"]|>, "5134" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.3, "KilocaloriesThermochemical"/"Moles"]|>, "5135" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.5, "KilocaloriesThermochemical"/"Moles"]|>, "5136" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1., "KilocaloriesThermochemical"/"Moles"]|>, "5137" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.2, "KilocaloriesThermochemical"/"Moles"]|>, "5138" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.2, "KilocaloriesThermochemical"/"Moles"]|>, "5139" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.8, "KilocaloriesThermochemical"/"Moles"]|>, "5140" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.9, "KilocaloriesThermochemical"/"Moles"]|>, "5141" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "5142" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "5143" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "5144" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "5145" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "5146" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "5147" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.8, "KilocaloriesThermochemical"/"Moles"]|>, "5148" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "5149" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.3, "KilocaloriesThermochemical"/"Moles"]|>, "5150" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "5151" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "5152" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "5153" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "5154" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "5155" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "5156" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "5157" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "5158" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "5159" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "5160" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "5161" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "5162" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "5163" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.2, "KilocaloriesThermochemical"/"Moles"]|>, "5164" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.1, "KilocaloriesThermochemical"/"Moles"]|>, "5165" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.8, "KilocaloriesThermochemical"/"Moles"]|>, "5166" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "5167" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "5168" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "5169" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1., "KilocaloriesThermochemical"/"Moles"]|>, "5170" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "5171" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "5172" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "5173" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "5174" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "5175" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "5176" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "5177" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "5178" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "5179" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "5180" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "5181" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "5182" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "5183" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "5184" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "5185" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "5186" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "5187" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "5188" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "5189" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.3, "KilocaloriesThermochemical"/"Moles"]|>, "5190" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.5, "KilocaloriesThermochemical"/"Moles"]|>, "5191" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "5192" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "5193" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "5194" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "5195" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.9, "KilocaloriesThermochemical"/"Moles"]|>, "5196" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.1, "KilocaloriesThermochemical"/"Moles"]|>, "5197" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.6, "KilocaloriesThermochemical"/"Moles"]|>, "5198" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "5199" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3., "KilocaloriesThermochemical"/"Moles"]|>, "5200" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[45.1, "KilocaloriesThermochemical"/"Moles"]|>, "5201" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "5202" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "5203" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "5204" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "5205" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "5206" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "5207" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "5208" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "5209" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"]|>, "5210" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.1, "KilocaloriesThermochemical"/"Moles"]|>, "5211" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1., "KilocaloriesThermochemical"/"Moles"]|>, "5212" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.8, "KilocaloriesThermochemical"/"Moles"]|>, "5213" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.2, "KilocaloriesThermochemical"/"Moles"]|>, "5214" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "5215" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.6, "KilocaloriesThermochemical"/"Moles"]|>, "5216" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.6, "KilocaloriesThermochemical"/"Moles"]|>, "5217" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "5218" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "5219" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "5220" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "5221" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "5222" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "5223" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "5224" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "5225" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "5226" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "5227" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "5228" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "5229" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "5230" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "5231" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "5232" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "5233" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "5234" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "5235" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.3, "KilocaloriesThermochemical"/"Moles"]|>, "5236" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.6, "KilocaloriesThermochemical"/"Moles"]|>, "5237" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "5238" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "5239" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.5, "KilocaloriesThermochemical"/"Moles"]|>, "5240" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.5, "KilocaloriesThermochemical"/"Moles"]|>, "5241" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2., "KilocaloriesThermochemical"/"Moles"]|>, "5242" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.2, "KilocaloriesThermochemical"/"Moles"]|>, "5243" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.9, "KilocaloriesThermochemical"/"Moles"]|>, "5244" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.1, "KilocaloriesThermochemical"/"Moles"]|>, "5245" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "5246" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "5247" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "5248" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "5249" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "5250" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "5251" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "5252" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.7, "KilocaloriesThermochemical"/"Moles"]|>, "5253" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "5254" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "5255" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "5256" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "5257" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "5258" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "5259" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[20.7, "KilocaloriesThermochemical"/"Moles"]|>, "5260" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "5261" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "5262" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "5263" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "5264" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.2, "KilocaloriesThermochemical"/"Moles"]|>, "5265" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "5266" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "5267" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "5268" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "5269" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "5270" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "5271" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.9, "KilocaloriesThermochemical"/"Moles"]|>, "5272" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1., "KilocaloriesThermochemical"/"Moles"]|>, "5273" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "5274" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.8, "KilocaloriesThermochemical"/"Moles"]|>, "5275" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.8, "KilocaloriesThermochemical"/"Moles"]|>, "5276" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "5277" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.2, "KilocaloriesThermochemical"/"Moles"]|>, "5278" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.4, "KilocaloriesThermochemical"/"Moles"]|>, "5279" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.8, "KilocaloriesThermochemical"/"Moles"]|>, "5280" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.8, "KilocaloriesThermochemical"/"Moles"]|>, "5281" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.1, "KilocaloriesThermochemical"/"Moles"]|>, "5282" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13., "KilocaloriesThermochemical"/"Moles"]|>, "5283" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.1, "KilocaloriesThermochemical"/"Moles"]|>, "5284" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.2, "KilocaloriesThermochemical"/"Moles"]|>, "5285" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.4, "KilocaloriesThermochemical"/"Moles"]|>, "5286" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.4, "KilocaloriesThermochemical"/"Moles"]|>, "5287" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.9, "KilocaloriesThermochemical"/"Moles"]|>, "5288" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.6, "KilocaloriesThermochemical"/"Moles"]|>, "5289" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.6, "KilocaloriesThermochemical"/"Moles"]|>, "5290" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.3, "KilocaloriesThermochemical"/"Moles"]|>, "5291" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.9, "KilocaloriesThermochemical"/"Moles"]|>, "5292" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.7, "KilocaloriesThermochemical"/"Moles"]|>, "5293" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.5, "KilocaloriesThermochemical"/"Moles"]|>, "5294" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.2, "KilocaloriesThermochemical"/"Moles"]|>, "5295" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "5296" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.1, "KilocaloriesThermochemical"/"Moles"]|>, "5297" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.2, "KilocaloriesThermochemical"/"Moles"]|>, "5298" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "5299" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "5300" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "5301" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.7, "KilocaloriesThermochemical"/"Moles"]|>, "5302" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "5303" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "5304" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "5305" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "5306" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "5307" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.9, "KilocaloriesThermochemical"/"Moles"]|>, "5308" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.3, "KilocaloriesThermochemical"/"Moles"]|>, "5309" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.2, "KilocaloriesThermochemical"/"Moles"]|>, "5310" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.8, "KilocaloriesThermochemical"/"Moles"]|>, "5311" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.7, "KilocaloriesThermochemical"/"Moles"]|>, "5312" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "5313" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.1, "KilocaloriesThermochemical"/"Moles"]|>, "5314" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.1, "KilocaloriesThermochemical"/"Moles"]|>, "5315" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "5316" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "5317" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.3, "KilocaloriesThermochemical"/"Moles"]|>, "5318" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.1, "KilocaloriesThermochemical"/"Moles"]|>, "5319" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.2, "KilocaloriesThermochemical"/"Moles"]|>, "5320" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.1, "KilocaloriesThermochemical"/"Moles"]|>, "5321" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0., "KilocaloriesThermochemical"/"Moles"]|>, "5322" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2., "KilocaloriesThermochemical"/"Moles"]|>, "5323" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.2, "KilocaloriesThermochemical"/"Moles"]|>, "5324" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.9, "KilocaloriesThermochemical"/"Moles"]|>, "5325" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.3, "KilocaloriesThermochemical"/"Moles"]|>, "5326" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.8, "KilocaloriesThermochemical"/"Moles"]|>, "5327" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.7, "KilocaloriesThermochemical"/"Moles"]|>, "5328" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.6, "KilocaloriesThermochemical"/"Moles"]|>, "5329" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.8, "KilocaloriesThermochemical"/"Moles"]|>, "5330" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.9, "KilocaloriesThermochemical"/"Moles"]|>, "5331" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.7, "KilocaloriesThermochemical"/"Moles"]|>, "5332" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.1, "KilocaloriesThermochemical"/"Moles"]|>, "5333" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.8, "KilocaloriesThermochemical"/"Moles"]|>, "5334" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.9, "KilocaloriesThermochemical"/"Moles"]|>, "5335" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.1, "KilocaloriesThermochemical"/"Moles"]|>, "5336" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.4, "KilocaloriesThermochemical"/"Moles"]|>, "5337" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.6, "KilocaloriesThermochemical"/"Moles"]|>, "5338" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.6, "KilocaloriesThermochemical"/"Moles"]|>, "5339" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.9, "KilocaloriesThermochemical"/"Moles"]|>, "5340" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2., "KilocaloriesThermochemical"/"Moles"]|>, "5341" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.6, "KilocaloriesThermochemical"/"Moles"]|>, "5342" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.6, "KilocaloriesThermochemical"/"Moles"]|>, "5343" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.5, "KilocaloriesThermochemical"/"Moles"]|>, "5344" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "5345" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "5346" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "5347" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "5348" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "5349" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "5350" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "5351" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "5352" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "5353" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.2, "KilocaloriesThermochemical"/"Moles"]|>, "5354" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.5, "KilocaloriesThermochemical"/"Moles"]|>, "5355" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.8, "KilocaloriesThermochemical"/"Moles"]|>, "5356" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "5357" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"]|>, "5358" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.3, "KilocaloriesThermochemical"/"Moles"]|>, "5359" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.3, "KilocaloriesThermochemical"/"Moles"]|>, "5360" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.3, "KilocaloriesThermochemical"/"Moles"]|>, "5361" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "5362" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.2, "KilocaloriesThermochemical"/"Moles"]|>, "5363" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.3, "KilocaloriesThermochemical"/"Moles"]|>, "5364" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.6, "KilocaloriesThermochemical"/"Moles"]|>, "5365" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2., "KilocaloriesThermochemical"/"Moles"]|>, "5366" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.4, "KilocaloriesThermochemical"/"Moles"]|>, "5367" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.4, "KilocaloriesThermochemical"/"Moles"]|>, "5368" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.2, "KilocaloriesThermochemical"/"Moles"]|>, "5369" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4., "KilocaloriesThermochemical"/"Moles"]|>, "5370" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.4, "KilocaloriesThermochemical"/"Moles"]|>, "5371" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2., "KilocaloriesThermochemical"/"Moles"]|>, "5372" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.3, "KilocaloriesThermochemical"/"Moles"]|>, "5373" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.4, "KilocaloriesThermochemical"/"Moles"]|>, "5374" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "5375" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.6, "KilocaloriesThermochemical"/"Moles"]|>, "5376" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "5377" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.6, "KilocaloriesThermochemical"/"Moles"]|>, "5378" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.7, "KilocaloriesThermochemical"/"Moles"]|>, "5379" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.7, "KilocaloriesThermochemical"/"Moles"]|>, "5380" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.4, "KilocaloriesThermochemical"/"Moles"]|>, "5381" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.9, "KilocaloriesThermochemical"/"Moles"]|>, "5382" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.4, "KilocaloriesThermochemical"/"Moles"]|>, "5383" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.7, "KilocaloriesThermochemical"/"Moles"]|>, "5384" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.4, "KilocaloriesThermochemical"/"Moles"]|>, "5385" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.5, "KilocaloriesThermochemical"/"Moles"]|>, "5386" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.7, "KilocaloriesThermochemical"/"Moles"]|>, "5387" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "5388" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "5389" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.6, "KilocaloriesThermochemical"/"Moles"]|>, "5390" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.5, "KilocaloriesThermochemical"/"Moles"]|>, "5391" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "5392" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "5393" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "5394" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "5395" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "5396" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "5397" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "5398" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "5399" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "5400" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "5401" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "5402" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.2, "KilocaloriesThermochemical"/"Moles"]|>, "5403" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.3, "KilocaloriesThermochemical"/"Moles"]|>, "5404" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "5405" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "5406" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.1, "KilocaloriesThermochemical"/"Moles"]|>, "5407" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"]|>, "5408" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.7, "KilocaloriesThermochemical"/"Moles"]|>, "5409" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.8, "KilocaloriesThermochemical"/"Moles"]|>, "5410" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.6, "KilocaloriesThermochemical"/"Moles"]|>, "5411" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "5412" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "5413" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.3, "KilocaloriesThermochemical"/"Moles"]|>, "5414" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "5415" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "5416" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.2, "KilocaloriesThermochemical"/"Moles"]|>, "5417" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.8, "KilocaloriesThermochemical"/"Moles"]|>, "5418" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[25.9, "KilocaloriesThermochemical"/"Moles"]|>, "5419" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.6, "KilocaloriesThermochemical"/"Moles"]|>, "5420" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.8, "KilocaloriesThermochemical"/"Moles"]|>, "5421" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.8, "KilocaloriesThermochemical"/"Moles"]|>, "5422" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.7, "KilocaloriesThermochemical"/"Moles"]|>, "5423" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7., "KilocaloriesThermochemical"/"Moles"]|>, "5424" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.1, "KilocaloriesThermochemical"/"Moles"]|>, "5425" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.1, "KilocaloriesThermochemical"/"Moles"]|>, "5426" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.9, "KilocaloriesThermochemical"/"Moles"]|>, "5427" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.9, "KilocaloriesThermochemical"/"Moles"]|>, "5428" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17., "KilocaloriesThermochemical"/"Moles"]|>, "5429" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.3, "KilocaloriesThermochemical"/"Moles"]|>, "5430" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.1, "KilocaloriesThermochemical"/"Moles"]|>, "5431" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.7, "KilocaloriesThermochemical"/"Moles"]|>, "5432" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17., "KilocaloriesThermochemical"/"Moles"]|>, "5433" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.7, "KilocaloriesThermochemical"/"Moles"]|>, "5434" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.4, "KilocaloriesThermochemical"/"Moles"]|>, "5435" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.9, "KilocaloriesThermochemical"/"Moles"]|>, "5436" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18.8, "KilocaloriesThermochemical"/"Moles"]|>, "5437" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.1, "KilocaloriesThermochemical"/"Moles"]|>, "5438" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[19., "KilocaloriesThermochemical"/"Moles"]|>, "5439" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.2, "KilocaloriesThermochemical"/"Moles"]|>, "5440" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "5441" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.3, "KilocaloriesThermochemical"/"Moles"]|>, "5442" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"]|>, "5443" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.2, "KilocaloriesThermochemical"/"Moles"]|>, "5444" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[21.2, "KilocaloriesThermochemical"/"Moles"]|>, "5445" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "5446" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "5447" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "5448" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.9, "KilocaloriesThermochemical"/"Moles"]|>, "5449" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "5450" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "5451" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.2, "KilocaloriesThermochemical"/"Moles"]|>, "5452" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.9, "KilocaloriesThermochemical"/"Moles"]|>, "5453" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "5454" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "5455" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "5456" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "5457" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.3, "KilocaloriesThermochemical"/"Moles"]|>, "5458" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "5459" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "5460" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.1, "KilocaloriesThermochemical"/"Moles"]|>, "5461" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.8, "KilocaloriesThermochemical"/"Moles"]|>, "5462" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.5, "KilocaloriesThermochemical"/"Moles"]|>, "5463" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.1, "KilocaloriesThermochemical"/"Moles"]|>, "5464" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"]|>, "5465" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.9, "KilocaloriesThermochemical"/"Moles"]|>, "5466" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "5467" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2., "KilocaloriesThermochemical"/"Moles"]|>, "5468" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "5469" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "5470" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "5471" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "5472" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "5473" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "5474" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "5475" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "5476" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "5477" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "5478" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "5479" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "5480" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "5481" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "5482" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "5483" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "5484" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "5485" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.6, "KilocaloriesThermochemical"/"Moles"]|>, "5486" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "5487" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "5488" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.9, "KilocaloriesThermochemical"/"Moles"]|>, "5489" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"]|>, "5490" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "5491" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.7, "KilocaloriesThermochemical"/"Moles"]|>, "5492" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "5493" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "5494" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "5495" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "5496" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.3, "KilocaloriesThermochemical"/"Moles"]|>, "5497" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.9, "KilocaloriesThermochemical"/"Moles"]|>, "5498" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "5499" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "5500" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "5501" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "5502" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "5503" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "5504" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "5505" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "5506" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "5507" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "5508" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "5509" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "5510" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "5511" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.6, "KilocaloriesThermochemical"/"Moles"]|>, "5512" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "5513" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "5514" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.5, "KilocaloriesThermochemical"/"Moles"]|>, "5515" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "5516" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "5517" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "5518" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.4, "KilocaloriesThermochemical"/"Moles"]|>, "5519" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.5, "KilocaloriesThermochemical"/"Moles"]|>, "5520" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.5, "KilocaloriesThermochemical"/"Moles"]|>, "5521" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.8, "KilocaloriesThermochemical"/"Moles"]|>, "5522" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.2, "KilocaloriesThermochemical"/"Moles"]|>, "5523" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.9, "KilocaloriesThermochemical"/"Moles"]|>, "5524" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.1, "KilocaloriesThermochemical"/"Moles"]|>, "5525" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.5, "KilocaloriesThermochemical"/"Moles"]|>, "5526" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.2, "KilocaloriesThermochemical"/"Moles"]|>, "5527" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.1, "KilocaloriesThermochemical"/"Moles"]|>, "5528" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"]|>, "5529" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.9, "KilocaloriesThermochemical"/"Moles"]|>, "5530" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "5531" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.9, "KilocaloriesThermochemical"/"Moles"]|>, "5532" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "5533" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "5534" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "5535" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"]|>, "5536" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "5537" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"]|>, "5538" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "5539" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "5540" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "5541" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "5542" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "5543" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "5544" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "5545" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "5546" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "5547" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "5548" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "5549" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"]|>, "5550" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.1, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "4228234", <|"URL" -> "http://zinc15.docking.org/substances/ZINC4228234"|>]|>, "5551" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "5552" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"]|>, "5553" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "5554" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.9, "KilocaloriesThermochemical"/"Moles"]|>, "5555" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7., "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "4228234", <|"URL" -> "http://zinc15.docking.org/substances/ZINC4228234"|>]|>, "5556" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "5557" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "5558" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-7.3, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "4228234", <|"URL" -> "http://zinc15.docking.org/substances/ZINC4228234"|>]|>, "5559" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.8, "KilocaloriesThermochemical"/"Moles"]|>, "5560" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"]|>, "5561" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "5562" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "5563" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "5564" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "5565" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "5566" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"]|>, "5567" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.4, "KilocaloriesThermochemical"/"Moles"]|>, "5568" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "5569" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "5570" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "5571" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "5572" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3., "KilocaloriesThermochemical"/"Moles"]|>, "5573" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.1, "KilocaloriesThermochemical"/"Moles"]|>, "5574" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"]|>, "5575" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.5, "KilocaloriesThermochemical"/"Moles"]|>, "5576" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.5, "KilocaloriesThermochemical"/"Moles"]|>, "5577" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"]|>, "5578" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.3, "KilocaloriesThermochemical"/"Moles"]|>, "5579" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"]|>, "5580" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.1, "KilocaloriesThermochemical"/"Moles"]|>, "5581" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.9, "KilocaloriesThermochemical"/"Moles"]|>, "5582" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "5583" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.2, "KilocaloriesThermochemical"/"Moles"]|>, "5584" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.8, "KilocaloriesThermochemical"/"Moles"]|>, "5585" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.1, "KilocaloriesThermochemical"/"Moles"]|>, "5586" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.8, "KilocaloriesThermochemical"/"Moles"]|>, "5587" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1., "KilocaloriesThermochemical"/"Moles"]|>, "5588" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "5589" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.9, "KilocaloriesThermochemical"/"Moles"]|>, "5590" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.3, "KilocaloriesThermochemical"/"Moles"]|>, "5591" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.3, "KilocaloriesThermochemical"/"Moles"]|>, "5592" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.1, "KilocaloriesThermochemical"/"Moles"]|>, "5593" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.2, "KilocaloriesThermochemical"/"Moles"]|>, "5594" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2., "KilocaloriesThermochemical"/"Moles"]|>, "5595" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.7, "KilocaloriesThermochemical"/"Moles"]|>, "5596" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.5, "KilocaloriesThermochemical"/"Moles"]|>, "5597" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"]|>, "5598" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.8, "KilocaloriesThermochemical"/"Moles"]|>, "5599" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.6, "KilocaloriesThermochemical"/"Moles"]|>, "5600" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.4, "KilocaloriesThermochemical"/"Moles"]|>, "5601" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3., "KilocaloriesThermochemical"/"Moles"]|>, "5602" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.1, "KilocaloriesThermochemical"/"Moles"]|>, "5603" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.6, "KilocaloriesThermochemical"/"Moles"]|>, "5604" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.8, "KilocaloriesThermochemical"/"Moles"]|>, "5605" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.4, "KilocaloriesThermochemical"/"Moles"]|>, "5606" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.2, "KilocaloriesThermochemical"/"Moles"]|>, "5607" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.7, "KilocaloriesThermochemical"/"Moles"]|>, "5608" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.1, "KilocaloriesThermochemical"/"Moles"]|>, "5609" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.7, "KilocaloriesThermochemical"/"Moles"]|>, "5610" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.5, "KilocaloriesThermochemical"/"Moles"]|>, "5611" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.6, "KilocaloriesThermochemical"/"Moles"]|>, "5612" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.1, "KilocaloriesThermochemical"/"Moles"]|>, "5613" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[19.1, "KilocaloriesThermochemical"/"Moles"]|>, "5614" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.9, "KilocaloriesThermochemical"/"Moles"]|>, "5615" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.3, "KilocaloriesThermochemical"/"Moles"]|>, "5616" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5., "KilocaloriesThermochemical"/"Moles"]|>, "5617" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.9, "KilocaloriesThermochemical"/"Moles"]|>, "5618" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.6, "KilocaloriesThermochemical"/"Moles"]|>, "5619" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.1, "KilocaloriesThermochemical"/"Moles"]|>, "5620" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.8, "KilocaloriesThermochemical"/"Moles"]|>, "5621" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.2, "KilocaloriesThermochemical"/"Moles"]|>, "5622" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.6, "KilocaloriesThermochemical"/"Moles"]|>, "5623" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.2, "KilocaloriesThermochemical"/"Moles"]|>, "5624" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.1, "KilocaloriesThermochemical"/"Moles"]|>, "5625" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.9, "KilocaloriesThermochemical"/"Moles"]|>, "5626" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.6, "KilocaloriesThermochemical"/"Moles"]|>, "5627" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.9, "KilocaloriesThermochemical"/"Moles"]|>, "5628" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.6, "KilocaloriesThermochemical"/"Moles"]|>, "5629" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.2, "KilocaloriesThermochemical"/"Moles"]|>, "5630" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.3, "KilocaloriesThermochemical"/"Moles"]|>, "5631" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.7, "KilocaloriesThermochemical"/"Moles"]|>, "5632" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.7, "KilocaloriesThermochemical"/"Moles"]|>, "5633" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.8, "KilocaloriesThermochemical"/"Moles"]|>, "5634" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.1, "KilocaloriesThermochemical"/"Moles"]|>, "5635" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.6, "KilocaloriesThermochemical"/"Moles"]|>, "5636" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.5, "KilocaloriesThermochemical"/"Moles"]|>, "5637" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.9, "KilocaloriesThermochemical"/"Moles"]|>, "5638" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.5, "KilocaloriesThermochemical"/"Moles"]|>, "5639" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2., "KilocaloriesThermochemical"/"Moles"]|>, "5640" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2., "KilocaloriesThermochemical"/"Moles"]|>, "5641" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "5642" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "5643" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.1, "KilocaloriesThermochemical"/"Moles"]|>, "5644" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.1, "KilocaloriesThermochemical"/"Moles"]|>, "5645" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.7, "KilocaloriesThermochemical"/"Moles"]|>, "5646" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.7, "KilocaloriesThermochemical"/"Moles"]|>, "5647" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8., "KilocaloriesThermochemical"/"Moles"]|>, "5648" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.5, "KilocaloriesThermochemical"/"Moles"]|>, "5649" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.1, "KilocaloriesThermochemical"/"Moles"]|>, "5650" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.6, "KilocaloriesThermochemical"/"Moles"]|>, "5651" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.1, "KilocaloriesThermochemical"/"Moles"]|>, "5652" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.9, "KilocaloriesThermochemical"/"Moles"]|>, "5653" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.4, "KilocaloriesThermochemical"/"Moles"]|>, "5654" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.7, "KilocaloriesThermochemical"/"Moles"]|>, "5655" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.6, "KilocaloriesThermochemical"/"Moles"]|>, "5656" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.9, "KilocaloriesThermochemical"/"Moles"]|>, "5657" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9., "KilocaloriesThermochemical"/"Moles"]|>, "5658" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.9, "KilocaloriesThermochemical"/"Moles"]|>, "5659" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "5660" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "5661" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "5662" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "5663" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "5664" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "5665" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "5666" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "5667" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.9, "KilocaloriesThermochemical"/"Moles"]|>, "5668" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "5669" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "5670" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "5671" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "5672" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "5673" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.7, "KilocaloriesThermochemical"/"Moles"]|>, "5674" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.6, "KilocaloriesThermochemical"/"Moles"]|>, "5675" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.1, "KilocaloriesThermochemical"/"Moles"]|>, "5676" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.9, "KilocaloriesThermochemical"/"Moles"]|>, "5677" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18.9, "KilocaloriesThermochemical"/"Moles"]|>, "5678" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.6, "KilocaloriesThermochemical"/"Moles"]|>, "5679" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.3, "KilocaloriesThermochemical"/"Moles"]|>, "5680" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.5, "KilocaloriesThermochemical"/"Moles"]|>, "5681" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.9, "KilocaloriesThermochemical"/"Moles"]|>, "5682" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.3, "KilocaloriesThermochemical"/"Moles"]|>, "5683" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.6, "KilocaloriesThermochemical"/"Moles"]|>, "5684" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.9, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "33830251 ", <|"URL" -> "http://zinc15.docking.org/substances/ZINC33830251 "|>]|>, "5685" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.8, "KilocaloriesThermochemical"/"Moles"]|>, "5686" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.6, "KilocaloriesThermochemical"/"Moles"]|>, "5687" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.4, "KilocaloriesThermochemical"/"Moles"]|>, "5688" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.2, "KilocaloriesThermochemical"/"Moles"]|>, "5689" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.9, "KilocaloriesThermochemical"/"Moles"]|>, "5690" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15., "KilocaloriesThermochemical"/"Moles"]|>, "5691" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.7, "KilocaloriesThermochemical"/"Moles"]|>, "5692" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.5, "KilocaloriesThermochemical"/"Moles"]|>, "5693" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.5, "KilocaloriesThermochemical"/"Moles"]|>, "5694" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4., "KilocaloriesThermochemical"/"Moles"]|>, "5695" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.9, "KilocaloriesThermochemical"/"Moles"]|>, "5696" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.6, "KilocaloriesThermochemical"/"Moles"]|>, "5697" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.3, "KilocaloriesThermochemical"/"Moles"]|>, "5698" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.9, "KilocaloriesThermochemical"/"Moles"]|>, "5699" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9., "KilocaloriesThermochemical"/"Moles"]|>, "5700" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.1, "KilocaloriesThermochemical"/"Moles"]|>, "5701" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.5, "KilocaloriesThermochemical"/"Moles"]|>, "5702" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.2, "KilocaloriesThermochemical"/"Moles"]|>, "5703" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.1, "KilocaloriesThermochemical"/"Moles"]|>, "5704" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.3, "KilocaloriesThermochemical"/"Moles"]|>, "5705" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.1, "KilocaloriesThermochemical"/"Moles"]|>, "5706" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.3, "KilocaloriesThermochemical"/"Moles"]|>, "5707" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "5708" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.2, "KilocaloriesThermochemical"/"Moles"]|>, "5709" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "5710" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.9, "KilocaloriesThermochemical"/"Moles"]|>, "5711" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"]|>, "5712" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "5713" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "5714" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.1, "KilocaloriesThermochemical"/"Moles"]|>, "5715" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "5716" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "5717" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"]|>, "5718" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"]|>, "5719" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.8, "KilocaloriesThermochemical"/"Moles"]|>, "5720" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.7, "KilocaloriesThermochemical"/"Moles"]|>, "5721" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.9, "KilocaloriesThermochemical"/"Moles"]|>, "5722" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.8, "KilocaloriesThermochemical"/"Moles"]|>, "5723" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.1, "KilocaloriesThermochemical"/"Moles"]|>, "5724" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.6, "KilocaloriesThermochemical"/"Moles"]|>, "5725" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.9, "KilocaloriesThermochemical"/"Moles"]|>, "5726" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2., "KilocaloriesThermochemical"/"Moles"]|>, "5727" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.3, "KilocaloriesThermochemical"/"Moles"]|>, "5728" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.5, "KilocaloriesThermochemical"/"Moles"]|>, "5729" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.2, "KilocaloriesThermochemical"/"Moles"]|>, "5730" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.1, "KilocaloriesThermochemical"/"Moles"]|>, "5731" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1., "KilocaloriesThermochemical"/"Moles"]|>, "5732" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.2, "KilocaloriesThermochemical"/"Moles"]|>, "5733" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.2, "KilocaloriesThermochemical"/"Moles"]|>, "5734" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.9, "KilocaloriesThermochemical"/"Moles"]|>, "5735" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1., "KilocaloriesThermochemical"/"Moles"]|>, "5736" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.5, "KilocaloriesThermochemical"/"Moles"]|>, "5737" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.9, "KilocaloriesThermochemical"/"Moles"]|>, "5738" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.8, "KilocaloriesThermochemical"/"Moles"]|>, "5739" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.4, "KilocaloriesThermochemical"/"Moles"]|>, "5740" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.2, "KilocaloriesThermochemical"/"Moles"]|>, "5741" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.8, "KilocaloriesThermochemical"/"Moles"]|>, "5742" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.9, "KilocaloriesThermochemical"/"Moles"]|>, "5743" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.4, "KilocaloriesThermochemical"/"Moles"]|>, "5744" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.9, "KilocaloriesThermochemical"/"Moles"]|>, "5745" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.8, "KilocaloriesThermochemical"/"Moles"]|>, "5746" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.6, "KilocaloriesThermochemical"/"Moles"]|>, "5747" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.3, "KilocaloriesThermochemical"/"Moles"]|>, "5748" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.5, "KilocaloriesThermochemical"/"Moles"]|>, "5749" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14., "KilocaloriesThermochemical"/"Moles"]|>, "5750" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.8, "KilocaloriesThermochemical"/"Moles"]|>, "5751" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.8, "KilocaloriesThermochemical"/"Moles"]|>, "5752" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.1, "KilocaloriesThermochemical"/"Moles"]|>, "5753" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.1, "KilocaloriesThermochemical"/"Moles"]|>, "5754" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.5, "KilocaloriesThermochemical"/"Moles"]|>, "5755" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "5756" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "5757" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "5758" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "5759" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[22.9, "KilocaloriesThermochemical"/"Moles"]|>, "5760" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "5761" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "5762" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.3, "KilocaloriesThermochemical"/"Moles"]|>, "5763" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.2, "KilocaloriesThermochemical"/"Moles"]|>, "5764" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1., "KilocaloriesThermochemical"/"Moles"]|>, "5765" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.4, "KilocaloriesThermochemical"/"Moles"]|>, "5766" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.3, "KilocaloriesThermochemical"/"Moles"]|>, "5767" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.5, "KilocaloriesThermochemical"/"Moles"]|>, "5768" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "5769" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "5770" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "5771" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "5772" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "5773" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.1, "KilocaloriesThermochemical"/"Moles"]|>, "5774" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.2, "KilocaloriesThermochemical"/"Moles"]|>, "5775" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18.2, "KilocaloriesThermochemical"/"Moles"]|>, "5776" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[30.4, "KilocaloriesThermochemical"/"Moles"]|>, "5777" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18.4, "KilocaloriesThermochemical"/"Moles"]|>, "5778" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.7, "KilocaloriesThermochemical"/"Moles"]|>, "5779" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "5780" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "5781" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "5782" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.3, "KilocaloriesThermochemical"/"Moles"]|>, "5783" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "5784" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.1, "KilocaloriesThermochemical"/"Moles"]|>, "5785" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "5786" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2., "KilocaloriesThermochemical"/"Moles"]|>, "5787" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "5788" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "5789" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.3, "KilocaloriesThermochemical"/"Moles"]|>, "5790" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.7, "KilocaloriesThermochemical"/"Moles"]|>, "5791" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.6, "KilocaloriesThermochemical"/"Moles"]|>, "5792" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "5793" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "5794" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "5795" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1., "KilocaloriesThermochemical"/"Moles"]|>, "5796" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.5, "KilocaloriesThermochemical"/"Moles"]|>, "5797" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "5798" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "5799" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"]|>, "5800" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "5801" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.6, "KilocaloriesThermochemical"/"Moles"]|>, "5802" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.5, "KilocaloriesThermochemical"/"Moles"]|>, "5803" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.3, "KilocaloriesThermochemical"/"Moles"]|>, "5804" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.4, "KilocaloriesThermochemical"/"Moles"]|>, "5805" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.4, "KilocaloriesThermochemical"/"Moles"]|>, "5806" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.3, "KilocaloriesThermochemical"/"Moles"]|>, "5807" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.7, "KilocaloriesThermochemical"/"Moles"]|>, "5808" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.4, "KilocaloriesThermochemical"/"Moles"]|>, "5809" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.9, "KilocaloriesThermochemical"/"Moles"]|>, "5810" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.6, "KilocaloriesThermochemical"/"Moles"]|>, "5811" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.5, "KilocaloriesThermochemical"/"Moles"]|>, "5812" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.4, "KilocaloriesThermochemical"/"Moles"]|>, "5813" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "5814" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2., "KilocaloriesThermochemical"/"Moles"]|>, "5815" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.4, "KilocaloriesThermochemical"/"Moles"]|>, "5816" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.2, "KilocaloriesThermochemical"/"Moles"]|>, "5817" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.9, "KilocaloriesThermochemical"/"Moles"]|>, "5818" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "5819" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"]|>, "5820" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1., "KilocaloriesThermochemical"/"Moles"]|>, "5821" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.2, "KilocaloriesThermochemical"/"Moles"]|>, "5822" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.2, "KilocaloriesThermochemical"/"Moles"]|>, "5823" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.6, "KilocaloriesThermochemical"/"Moles"]|>, "5824" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5., "KilocaloriesThermochemical"/"Moles"]|>, "5825" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.4, "KilocaloriesThermochemical"/"Moles"]|>, "5826" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.9, "KilocaloriesThermochemical"/"Moles"]|>, "5827" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "5828" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "5829" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "5830" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "5831" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[24.3, "KilocaloriesThermochemical"/"Moles"]|>, "5832" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[32.2, "KilocaloriesThermochemical"/"Moles"]|>, "5833" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.2, "KilocaloriesThermochemical"/"Moles"]|>, "5834" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[20.7, "KilocaloriesThermochemical"/"Moles"]|>, "5835" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "5836" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "5837" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "5838" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "5839" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.4, "KilocaloriesThermochemical"/"Moles"]|>, "5840" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0., "KilocaloriesThermochemical"/"Moles"]|>, "5841" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.5, "KilocaloriesThermochemical"/"Moles"]|>, "5842" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.1, "KilocaloriesThermochemical"/"Moles"]|>, "5843" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0., "KilocaloriesThermochemical"/"Moles"]|>, "5844" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.3, "KilocaloriesThermochemical"/"Moles"]|>, "5845" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.8, "KilocaloriesThermochemical"/"Moles"]|>, "5846" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4., "KilocaloriesThermochemical"/"Moles"]|>, "5847" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.6, "KilocaloriesThermochemical"/"Moles"]|>, "5848" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.8, "KilocaloriesThermochemical"/"Moles"]|>, "5849" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.2, "KilocaloriesThermochemical"/"Moles"]|>, "5850" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.9, "KilocaloriesThermochemical"/"Moles"]|>, "5851" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.4, "KilocaloriesThermochemical"/"Moles"]|>, "5852" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.7, "KilocaloriesThermochemical"/"Moles"]|>, "5853" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"]|>, "5854" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.1, "KilocaloriesThermochemical"/"Moles"]|>, "5855" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.1, "KilocaloriesThermochemical"/"Moles"]|>, "5856" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.3, "KilocaloriesThermochemical"/"Moles"]|>, "5857" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.1, "KilocaloriesThermochemical"/"Moles"]|>, "5858" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.8, "KilocaloriesThermochemical"/"Moles"]|>, "5859" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.5, "KilocaloriesThermochemical"/"Moles"]|>, "5860" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.3, "KilocaloriesThermochemical"/"Moles"]|>, "5861" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.5, "KilocaloriesThermochemical"/"Moles"]|>, "5862" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.6, "KilocaloriesThermochemical"/"Moles"]|>, "5863" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.6, "KilocaloriesThermochemical"/"Moles"]|>, "5864" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.9, "KilocaloriesThermochemical"/"Moles"]|>, "5865" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "5866" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.1, "KilocaloriesThermochemical"/"Moles"]|>, "5867" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "5868" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "5869" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "5870" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.8, "KilocaloriesThermochemical"/"Moles"]|>, "5871" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.2, "KilocaloriesThermochemical"/"Moles"]|>, "5872" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.7, "KilocaloriesThermochemical"/"Moles"]|>, "5873" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "5874" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.6, "KilocaloriesThermochemical"/"Moles"]|>, "5875" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "5876" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "5877" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.2, "KilocaloriesThermochemical"/"Moles"]|>, "5878" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "5879" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.1, "KilocaloriesThermochemical"/"Moles"]|>, "5880" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "5881" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "5882" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "5883" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.1, "KilocaloriesThermochemical"/"Moles"]|>, "5884" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "5885" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "5886" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "5887" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "5888" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "5889" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "5890" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "5891" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "5892" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.1, "KilocaloriesThermochemical"/"Moles"]|>, "5893" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.7, "KilocaloriesThermochemical"/"Moles"]|>, "5894" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.2, "KilocaloriesThermochemical"/"Moles"]|>, "5895" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.6, "KilocaloriesThermochemical"/"Moles"]|>, "5896" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.5, "KilocaloriesThermochemical"/"Moles"]|>, "5897" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.2, "KilocaloriesThermochemical"/"Moles"]|>, "5898" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.4, "KilocaloriesThermochemical"/"Moles"]|>, "5899" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.6, "KilocaloriesThermochemical"/"Moles"]|>, "5900" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2., "KilocaloriesThermochemical"/"Moles"]|>, "5901" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.1, "KilocaloriesThermochemical"/"Moles"]|>, "5902" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.7, "KilocaloriesThermochemical"/"Moles"]|>, "5903" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.2, "KilocaloriesThermochemical"/"Moles"]|>, "5904" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.6, "KilocaloriesThermochemical"/"Moles"]|>, "5905" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.5, "KilocaloriesThermochemical"/"Moles"]|>, "5906" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.7, "KilocaloriesThermochemical"/"Moles"]|>, "5907" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "5908" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "5909" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.4, "KilocaloriesThermochemical"/"Moles"]|>, "5910" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "5911" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.9, "KilocaloriesThermochemical"/"Moles"]|>, "5912" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "5913" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.4, "KilocaloriesThermochemical"/"Moles"]|>, "5914" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "5915" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.1, "KilocaloriesThermochemical"/"Moles"]|>, "5916" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "5917" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "5918" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "5919" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.7, "KilocaloriesThermochemical"/"Moles"]|>, "5920" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.8, "KilocaloriesThermochemical"/"Moles"]|>, "5921" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.6, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "40861533 ", <|"URL" -> "http://zinc15.docking.org/substances/ZINC40861533 "|>]|>, "5922" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.8, "KilocaloriesThermochemical"/"Moles"]|>, "5923" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.6, "KilocaloriesThermochemical"/"Moles"]|>, "5924" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.8, "KilocaloriesThermochemical"/"Moles"]|>, "5925" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16., "KilocaloriesThermochemical"/"Moles"]|>, "5926" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.1, "KilocaloriesThermochemical"/"Moles"]|>, "5927" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.7, "KilocaloriesThermochemical"/"Moles"]|>, "5928" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18., "KilocaloriesThermochemical"/"Moles"]|>, "5929" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.8, "KilocaloriesThermochemical"/"Moles"]|>, "5930" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.9, "KilocaloriesThermochemical"/"Moles"]|>, "5931" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.5, "KilocaloriesThermochemical"/"Moles"]|>, "5932" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16., "KilocaloriesThermochemical"/"Moles"]|>, "5933" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.9, "KilocaloriesThermochemical"/"Moles"]|>, "5934" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.3, "KilocaloriesThermochemical"/"Moles"]|>, "5935" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.3, "KilocaloriesThermochemical"/"Moles"]|>, "5936" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.5, "KilocaloriesThermochemical"/"Moles"]|>, "5937" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.5, "KilocaloriesThermochemical"/"Moles"]|>, "5938" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.1, "KilocaloriesThermochemical"/"Moles"]|>, "5939" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.4, "KilocaloriesThermochemical"/"Moles"]|>, "5940" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.6, "KilocaloriesThermochemical"/"Moles"]|>, "5941" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.1, "KilocaloriesThermochemical"/"Moles"]|>, "5942" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.9, "KilocaloriesThermochemical"/"Moles"]|>, "5943" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.7, "KilocaloriesThermochemical"/"Moles"]|>, "5944" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.8, "KilocaloriesThermochemical"/"Moles"]|>, "5945" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.5, "KilocaloriesThermochemical"/"Moles"]|>, "5946" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.8, "KilocaloriesThermochemical"/"Moles"]|>, "5947" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.6, "KilocaloriesThermochemical"/"Moles"]|>, "5948" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.7, "KilocaloriesThermochemical"/"Moles"]|>, "5949" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.3, "KilocaloriesThermochemical"/"Moles"]|>, "5950" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.2, "KilocaloriesThermochemical"/"Moles"]|>, "5951" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.1, "KilocaloriesThermochemical"/"Moles"]|>, "5952" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.6, "KilocaloriesThermochemical"/"Moles"]|>, "5953" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.8, "KilocaloriesThermochemical"/"Moles"]|>, "5954" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3., "KilocaloriesThermochemical"/"Moles"]|>, "5955" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[20.5, "KilocaloriesThermochemical"/"Moles"]|>, "5956" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.5, "KilocaloriesThermochemical"/"Moles"]|>, "5957" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.8, "KilocaloriesThermochemical"/"Moles"]|>, "5958" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.7, "KilocaloriesThermochemical"/"Moles"]|>, "5959" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1., "KilocaloriesThermochemical"/"Moles"]|>, "5960" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.4, "KilocaloriesThermochemical"/"Moles"]|>, "5961" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.6, "KilocaloriesThermochemical"/"Moles"]|>, "5962" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.5, "KilocaloriesThermochemical"/"Moles"]|>, "5963" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"]|>, "5964" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "5965" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "5966" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.2, "KilocaloriesThermochemical"/"Moles"]|>, "5967" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.1, "KilocaloriesThermochemical"/"Moles"]|>, "5968" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.3, "KilocaloriesThermochemical"/"Moles"]|>, "5969" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.5, "KilocaloriesThermochemical"/"Moles"]|>, "5970" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.5, "KilocaloriesThermochemical"/"Moles"]|>, "5971" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.2, "KilocaloriesThermochemical"/"Moles"]|>, "5972" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.7, "KilocaloriesThermochemical"/"Moles"]|>, "5973" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.5, "KilocaloriesThermochemical"/"Moles"]|>, "5974" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.8, "KilocaloriesThermochemical"/"Moles"]|>, "5975" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.7, "KilocaloriesThermochemical"/"Moles"]|>, "5976" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.7, "KilocaloriesThermochemical"/"Moles"]|>, "5977" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.6, "KilocaloriesThermochemical"/"Moles"]|>, "5978" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.5, "KilocaloriesThermochemical"/"Moles"]|>, "5979" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.3, "KilocaloriesThermochemical"/"Moles"]|>, "5980" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.6, "KilocaloriesThermochemical"/"Moles"]|>, "5981" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.4, "KilocaloriesThermochemical"/"Moles"]|>, "5982" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.5, "KilocaloriesThermochemical"/"Moles"]|>, "5983" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.2, "KilocaloriesThermochemical"/"Moles"]|>, "5984" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.5, "KilocaloriesThermochemical"/"Moles"]|>, "5985" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11., "KilocaloriesThermochemical"/"Moles"]|>, "5986" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10., "KilocaloriesThermochemical"/"Moles"]|>, "5987" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.9, "KilocaloriesThermochemical"/"Moles"]|>, "5988" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.1, "KilocaloriesThermochemical"/"Moles"]|>, "5989" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.6, "KilocaloriesThermochemical"/"Moles"]|>, "5990" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9., "KilocaloriesThermochemical"/"Moles"]|>, "5991" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.2, "KilocaloriesThermochemical"/"Moles"]|>, "5992" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.7, "KilocaloriesThermochemical"/"Moles"]|>, "5993" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.2, "KilocaloriesThermochemical"/"Moles"]|>, "5994" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.5, "KilocaloriesThermochemical"/"Moles"]|>, "5995" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.1, "KilocaloriesThermochemical"/"Moles"]|>, "5996" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.9, "KilocaloriesThermochemical"/"Moles"]|>, "5997" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.9, "KilocaloriesThermochemical"/"Moles"]|>, "5998" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.6, "KilocaloriesThermochemical"/"Moles"]|>, "5999" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[20.9, "KilocaloriesThermochemical"/"Moles"]|>, "6000" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.1, "KilocaloriesThermochemical"/"Moles"]|>, "6001" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16., "KilocaloriesThermochemical"/"Moles"]|>, "6002" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.1, "KilocaloriesThermochemical"/"Moles"]|>, "6003" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.1, "KilocaloriesThermochemical"/"Moles"]|>, "6004" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.1, "KilocaloriesThermochemical"/"Moles"]|>, "6005" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.2, "KilocaloriesThermochemical"/"Moles"]|>, "6006" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.4, "KilocaloriesThermochemical"/"Moles"]|>, "6007" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.1, "KilocaloriesThermochemical"/"Moles"]|>, "6008" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.3, "KilocaloriesThermochemical"/"Moles"]|>, "6009" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"]|>, "6010" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.1, "KilocaloriesThermochemical"/"Moles"]|>, "6011" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.5, "KilocaloriesThermochemical"/"Moles"]|>, "6012" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.1, "KilocaloriesThermochemical"/"Moles"]|>, "6013" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.4, "KilocaloriesThermochemical"/"Moles"]|>, "6014" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.3, "KilocaloriesThermochemical"/"Moles"]|>, "6015" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5., "KilocaloriesThermochemical"/"Moles"]|>, "6016" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.6, "KilocaloriesThermochemical"/"Moles"]|>, "6017" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.8, "KilocaloriesThermochemical"/"Moles"]|>, "6018" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.6, "KilocaloriesThermochemical"/"Moles"]|>, "6019" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "6020" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "6021" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "6022" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "6023" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.2, "KilocaloriesThermochemical"/"Moles"]|>, "6024" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.4, "KilocaloriesThermochemical"/"Moles"]|>, "6025" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "6026" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "6027" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "6028" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2., "KilocaloriesThermochemical"/"Moles"]|>, "6029" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.2, "KilocaloriesThermochemical"/"Moles"]|>, "6030" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.9, "KilocaloriesThermochemical"/"Moles"]|>, "6031" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.1, "KilocaloriesThermochemical"/"Moles"]|>, "6032" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.4, "KilocaloriesThermochemical"/"Moles"]|>, "6033" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.8, "KilocaloriesThermochemical"/"Moles"]|>, "6034" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.1, "KilocaloriesThermochemical"/"Moles"]|>, "6035" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.4, "KilocaloriesThermochemical"/"Moles"]|>, "6036" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.8, "KilocaloriesThermochemical"/"Moles"]|>, "6037" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.9, "KilocaloriesThermochemical"/"Moles"]|>, "6038" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.8, "KilocaloriesThermochemical"/"Moles"]|>, "6039" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.7, "KilocaloriesThermochemical"/"Moles"]|>, "6040" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.5, "KilocaloriesThermochemical"/"Moles"]|>, "6041" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.9, "KilocaloriesThermochemical"/"Moles"]|>, "6042" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.6, "KilocaloriesThermochemical"/"Moles"]|>, "6043" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.9, "KilocaloriesThermochemical"/"Moles"]|>, "6044" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.9, "KilocaloriesThermochemical"/"Moles"]|>, "6045" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.3, "KilocaloriesThermochemical"/"Moles"]|>, "6046" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.2, "KilocaloriesThermochemical"/"Moles"]|>, "6047" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.5, "KilocaloriesThermochemical"/"Moles"]|>, "6048" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.5, "KilocaloriesThermochemical"/"Moles"]|>, "6049" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.8, "KilocaloriesThermochemical"/"Moles"]|>, "6050" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.1, "KilocaloriesThermochemical"/"Moles"]|>, "6051" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1., "KilocaloriesThermochemical"/"Moles"]|>, "6052" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.3, "KilocaloriesThermochemical"/"Moles"]|>, "6053" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "6054" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "6055" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "6056" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "6057" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "6058" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.3, "KilocaloriesThermochemical"/"Moles"]|>, "6059" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "6060" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "6061" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "6062" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "6063" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "6064" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.3, "KilocaloriesThermochemical"/"Moles"]|>, "6065" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.1, "KilocaloriesThermochemical"/"Moles"]|>, "6066" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "6067" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "6068" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.2, "KilocaloriesThermochemical"/"Moles"]|>, "6069" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1., "KilocaloriesThermochemical"/"Moles"]|>, "6070" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.5, "KilocaloriesThermochemical"/"Moles"]|>, "6071" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "6072" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "6073" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "6074" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "6075" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "6076" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "6077" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "6078" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.1, "KilocaloriesThermochemical"/"Moles"]|>, "6079" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "6080" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "6081" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "6082" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.2, "KilocaloriesThermochemical"/"Moles"]|>, "6083" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "6084" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "6085" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.3, "KilocaloriesThermochemical"/"Moles"]|>, "6086" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "6087" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "6088" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "6089" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "6090" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "6091" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "6092" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "6093" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.1, "KilocaloriesThermochemical"/"Moles"]|>, "6094" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"]|>, "6095" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"]|>, "6096" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "6097" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "6098" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.3, "KilocaloriesThermochemical"/"Moles"]|>, "6099" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2., "KilocaloriesThermochemical"/"Moles"]|>, "6100" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "6101" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "6102" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.6, "KilocaloriesThermochemical"/"Moles"]|>, "6103" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1., "KilocaloriesThermochemical"/"Moles"]|>, "6104" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[47.9, "KilocaloriesThermochemical"/"Moles"]|>, "6105" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[41.1, "KilocaloriesThermochemical"/"Moles"]|>, "6106" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "6107" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "6108" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "6109" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.1, "KilocaloriesThermochemical"/"Moles"]|>, "6110" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "6111" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.4, "KilocaloriesThermochemical"/"Moles"]|>, "6112" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "6113" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.3, "KilocaloriesThermochemical"/"Moles"]|>, "6114" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.5, "KilocaloriesThermochemical"/"Moles"]|>, "6115" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "6116" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "6117" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "6118" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1., "KilocaloriesThermochemical"/"Moles"]|>, "6119" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.5, "KilocaloriesThermochemical"/"Moles"]|>, "6120" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"]|>, "6121" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "6122" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "6123" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.5, "KilocaloriesThermochemical"/"Moles"]|>, "6124" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "6125" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "6126" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "6127" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.1, "KilocaloriesThermochemical"/"Moles"]|>, "6128" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"]|>, "6129" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "6130" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "6131" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.3, "KilocaloriesThermochemical"/"Moles"]|>, "6132" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.5, "KilocaloriesThermochemical"/"Moles"]|>, "6133" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.7, "KilocaloriesThermochemical"/"Moles"]|>, "6134" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4., "KilocaloriesThermochemical"/"Moles"]|>, "6135" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.2, "KilocaloriesThermochemical"/"Moles"]|>, "6136" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.6, "KilocaloriesThermochemical"/"Moles"]|>, "6137" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.8, "KilocaloriesThermochemical"/"Moles"]|>, "6138" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.8, "KilocaloriesThermochemical"/"Moles"]|>, "6139" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.2, "KilocaloriesThermochemical"/"Moles"]|>, "6140" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.9, "KilocaloriesThermochemical"/"Moles"]|>, "6141" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.2, "KilocaloriesThermochemical"/"Moles"]|>, "6142" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.8, "KilocaloriesThermochemical"/"Moles"]|>, "6143" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.2, "KilocaloriesThermochemical"/"Moles"]|>, "6144" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.6, "KilocaloriesThermochemical"/"Moles"]|>, "6145" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.6, "KilocaloriesThermochemical"/"Moles"]|>, "6146" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.9, "KilocaloriesThermochemical"/"Moles"]|>, "6147" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.6, "KilocaloriesThermochemical"/"Moles"]|>, "6148" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.5, "KilocaloriesThermochemical"/"Moles"]|>, "6149" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.4, "KilocaloriesThermochemical"/"Moles"]|>, "6150" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.9, "KilocaloriesThermochemical"/"Moles"]|>, "6151" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "6152" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "6153" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "6154" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.1, "KilocaloriesThermochemical"/"Moles"]|>, "6155" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.5, "KilocaloriesThermochemical"/"Moles"]|>, "6156" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.3, "KilocaloriesThermochemical"/"Moles"]|>, "6157" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.7, "KilocaloriesThermochemical"/"Moles"]|>, "6158" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.8, "KilocaloriesThermochemical"/"Moles"]|>, "6159" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "6160" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.7, "KilocaloriesThermochemical"/"Moles"]|>, "6161" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.8, "KilocaloriesThermochemical"/"Moles"]|>, "6162" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.3, "KilocaloriesThermochemical"/"Moles"]|>, "6163" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "6164" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "6165" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.9, "KilocaloriesThermochemical"/"Moles"]|>, "6166" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "6167" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "6168" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.9, "KilocaloriesThermochemical"/"Moles"]|>, "6169" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.7, "KilocaloriesThermochemical"/"Moles"]|>, "6170" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9., "KilocaloriesThermochemical"/"Moles"]|>, "6171" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.9, "KilocaloriesThermochemical"/"Moles"]|>, "6172" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[19.9, "KilocaloriesThermochemical"/"Moles"]|>, "6173" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.3, "KilocaloriesThermochemical"/"Moles"]|>, "6174" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.3, "KilocaloriesThermochemical"/"Moles"]|>, "6175" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[19.3, "KilocaloriesThermochemical"/"Moles"]|>, "6176" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12., "KilocaloriesThermochemical"/"Moles"]|>, "6177" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.1, "KilocaloriesThermochemical"/"Moles"]|>, "6178" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.5, "KilocaloriesThermochemical"/"Moles"]|>, "6179" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.4, "KilocaloriesThermochemical"/"Moles"]|>, "6180" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.4, "KilocaloriesThermochemical"/"Moles"]|>, "6181" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.9, "KilocaloriesThermochemical"/"Moles"]|>, "6182" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10., "KilocaloriesThermochemical"/"Moles"]|>, "6183" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.4, "KilocaloriesThermochemical"/"Moles"]|>, "6184" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.5, "KilocaloriesThermochemical"/"Moles"]|>, "6185" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.5, "KilocaloriesThermochemical"/"Moles"]|>, "6186" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.8, "KilocaloriesThermochemical"/"Moles"]|>, "6187" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.5, "KilocaloriesThermochemical"/"Moles"]|>, "6188" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.4, "KilocaloriesThermochemical"/"Moles"]|>, "6189" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18.9, "KilocaloriesThermochemical"/"Moles"]|>, "6190" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.6, "KilocaloriesThermochemical"/"Moles"]|>, "6191" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.7, "KilocaloriesThermochemical"/"Moles"]|>, "6192" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.8, "KilocaloriesThermochemical"/"Moles"]|>, "6193" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.6, "KilocaloriesThermochemical"/"Moles"]|>, "6194" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.8, "KilocaloriesThermochemical"/"Moles"]|>, "6195" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.7, "KilocaloriesThermochemical"/"Moles"]|>, "6196" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.1, "KilocaloriesThermochemical"/"Moles"]|>, "6197" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.9, "KilocaloriesThermochemical"/"Moles"]|>, "6198" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.4, "KilocaloriesThermochemical"/"Moles"]|>, "6199" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.9, "KilocaloriesThermochemical"/"Moles"]|>, "6200" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.3, "KilocaloriesThermochemical"/"Moles"]|>, "6201" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.8, "KilocaloriesThermochemical"/"Moles"]|>, "6202" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "6203" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "6204" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "6205" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "6206" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.8, "KilocaloriesThermochemical"/"Moles"]|>, "6207" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.1, "KilocaloriesThermochemical"/"Moles"]|>, "6208" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.4, "KilocaloriesThermochemical"/"Moles"]|>, "6209" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.3, "KilocaloriesThermochemical"/"Moles"]|>, "6210" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "6211" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "6212" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "6213" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.3, "KilocaloriesThermochemical"/"Moles"]|>, "6214" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.2, "KilocaloriesThermochemical"/"Moles"]|>, "6215" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.7, "KilocaloriesThermochemical"/"Moles"]|>, "6216" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "6217" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "6218" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "6219" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.2, "KilocaloriesThermochemical"/"Moles"]|>, "6220" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.2, "KilocaloriesThermochemical"/"Moles"]|>, "6221" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "6222" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.4, "KilocaloriesThermochemical"/"Moles"]|>, "6223" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.8, "KilocaloriesThermochemical"/"Moles"]|>, "6224" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.8, "KilocaloriesThermochemical"/"Moles"]|>, "6225" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.7, "KilocaloriesThermochemical"/"Moles"]|>, "6226" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.2, "KilocaloriesThermochemical"/"Moles"]|>, "6227" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.2, "KilocaloriesThermochemical"/"Moles"]|>, "6228" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.9, "KilocaloriesThermochemical"/"Moles"]|>, "6229" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.1, "KilocaloriesThermochemical"/"Moles"]|>, "6230" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.6, "KilocaloriesThermochemical"/"Moles"]|>, "6231" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4., "KilocaloriesThermochemical"/"Moles"]|>, "6232" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.9, "KilocaloriesThermochemical"/"Moles"]|>, "6233" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.9, "KilocaloriesThermochemical"/"Moles"]|>, "6234" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6., "KilocaloriesThermochemical"/"Moles"]|>, "6235" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.1, "KilocaloriesThermochemical"/"Moles"]|>, "6236" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.5, "KilocaloriesThermochemical"/"Moles"]|>, "6237" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.7, "KilocaloriesThermochemical"/"Moles"]|>, "6238" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.1, "KilocaloriesThermochemical"/"Moles"]|>, "6239" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.5, "KilocaloriesThermochemical"/"Moles"]|>, "6240" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.1, "KilocaloriesThermochemical"/"Moles"]|>, "6241" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.5, "KilocaloriesThermochemical"/"Moles"]|>, "6242" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.5, "KilocaloriesThermochemical"/"Moles"]|>, "6243" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.2, "KilocaloriesThermochemical"/"Moles"]|>, "6244" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.8, "KilocaloriesThermochemical"/"Moles"]|>, "6245" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.8, "KilocaloriesThermochemical"/"Moles"]|>, "6246" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.6, "KilocaloriesThermochemical"/"Moles"]|>, "6247" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.3, "KilocaloriesThermochemical"/"Moles"]|>, "6248" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.8, "KilocaloriesThermochemical"/"Moles"]|>, "6249" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.2, "KilocaloriesThermochemical"/"Moles"]|>, "6250" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.6, "KilocaloriesThermochemical"/"Moles"]|>, "6251" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.6, "KilocaloriesThermochemical"/"Moles"]|>, "6252" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.9, "KilocaloriesThermochemical"/"Moles"]|>, "6253" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12., "KilocaloriesThermochemical"/"Moles"]|>, "6254" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.6, "KilocaloriesThermochemical"/"Moles"]|>, "6255" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[19.8, "KilocaloriesThermochemical"/"Moles"]|>, "6256" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8., "KilocaloriesThermochemical"/"Moles"]|>, "6257" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15., "KilocaloriesThermochemical"/"Moles"]|>, "6258" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7., "KilocaloriesThermochemical"/"Moles"]|>, "6259" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.3, "KilocaloriesThermochemical"/"Moles"]|>, "6260" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.5, "KilocaloriesThermochemical"/"Moles"]|>, "6261" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "6262" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.4, "KilocaloriesThermochemical"/"Moles"]|>, "6263" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "6264" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.7, "KilocaloriesThermochemical"/"Moles"]|>, "6265" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.4, "KilocaloriesThermochemical"/"Moles"]|>, "6266" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.3, "KilocaloriesThermochemical"/"Moles"]|>, "6267" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.6, "KilocaloriesThermochemical"/"Moles"]|>, "6268" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.8, "KilocaloriesThermochemical"/"Moles"]|>, "6269" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.8, "KilocaloriesThermochemical"/"Moles"]|>, "6270" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.1, "KilocaloriesThermochemical"/"Moles"]|>, "6271" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.2, "KilocaloriesThermochemical"/"Moles"]|>, "6272" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.8, "KilocaloriesThermochemical"/"Moles"]|>, "6273" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.4, "KilocaloriesThermochemical"/"Moles"]|>, "6274" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.1, "KilocaloriesThermochemical"/"Moles"]|>, "6275" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.6, "KilocaloriesThermochemical"/"Moles"]|>, "6276" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10., "KilocaloriesThermochemical"/"Moles"]|>, "6277" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.2, "KilocaloriesThermochemical"/"Moles"]|>, "6278" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.2, "KilocaloriesThermochemical"/"Moles"]|>, "6279" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.5, "KilocaloriesThermochemical"/"Moles"]|>, "6280" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.9, "KilocaloriesThermochemical"/"Moles"]|>, "6281" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.4, "KilocaloriesThermochemical"/"Moles"]|>, "6282" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.9, "KilocaloriesThermochemical"/"Moles"]|>, "6283" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[21.2, "KilocaloriesThermochemical"/"Moles"]|>, "6284" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.9, "KilocaloriesThermochemical"/"Moles"]|>, "6285" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[23.1, "KilocaloriesThermochemical"/"Moles"]|>, "6286" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[19.3, "KilocaloriesThermochemical"/"Moles"]|>, "6287" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.6, "KilocaloriesThermochemical"/"Moles"]|>, "6288" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.6, "KilocaloriesThermochemical"/"Moles"]|>, "6289" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[26.3, "KilocaloriesThermochemical"/"Moles"]|>, "6290" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[19.8, "KilocaloriesThermochemical"/"Moles"]|>, "6291" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.5, "KilocaloriesThermochemical"/"Moles"]|>, "6292" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.4, "KilocaloriesThermochemical"/"Moles"]|>, "6293" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[20.7, "KilocaloriesThermochemical"/"Moles"]|>, "6294" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.7, "KilocaloriesThermochemical"/"Moles"]|>, "6295" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[22.7, "KilocaloriesThermochemical"/"Moles"]|>, "6296" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[23.8, "KilocaloriesThermochemical"/"Moles"]|>, "6297" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[25.8, "KilocaloriesThermochemical"/"Moles"]|>, "6298" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12., "KilocaloriesThermochemical"/"Moles"]|>, "6299" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.8, "KilocaloriesThermochemical"/"Moles"]|>, "6300" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.1, "KilocaloriesThermochemical"/"Moles"]|>, "6301" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.9, "KilocaloriesThermochemical"/"Moles"]|>, "6302" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.5, "KilocaloriesThermochemical"/"Moles"]|>, "6303" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.9, "KilocaloriesThermochemical"/"Moles"]|>, "6304" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.5, "KilocaloriesThermochemical"/"Moles"]|>, "6305" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.6, "KilocaloriesThermochemical"/"Moles"]|>, "6306" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.4, "KilocaloriesThermochemical"/"Moles"]|>, "6307" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.5, "KilocaloriesThermochemical"/"Moles"]|>, "6308" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.8, "KilocaloriesThermochemical"/"Moles"]|>, "6309" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.7, "KilocaloriesThermochemical"/"Moles"]|>, "6310" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.8, "KilocaloriesThermochemical"/"Moles"]|>, "6311" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.9, "KilocaloriesThermochemical"/"Moles"]|>, "6312" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.4, "KilocaloriesThermochemical"/"Moles"]|>, "6313" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.6, "KilocaloriesThermochemical"/"Moles"]|>, "6314" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.6, "KilocaloriesThermochemical"/"Moles"]|>, "6315" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.1, "KilocaloriesThermochemical"/"Moles"]|>, "6316" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.1, "KilocaloriesThermochemical"/"Moles"]|>, "6317" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.6, "KilocaloriesThermochemical"/"Moles"]|>, "6318" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "6319" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.1, "KilocaloriesThermochemical"/"Moles"]|>, "6320" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.3, "KilocaloriesThermochemical"/"Moles"]|>, "6321" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "6322" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.4, "KilocaloriesThermochemical"/"Moles"]|>, "6323" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.7, "KilocaloriesThermochemical"/"Moles"]|>, "6324" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "6325" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "6326" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1., "KilocaloriesThermochemical"/"Moles"]|>, "6327" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "6328" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "6329" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "6330" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.1, "KilocaloriesThermochemical"/"Moles"]|>, "6331" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "6332" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "6333" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"]|>, "6334" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.7, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "13376839", <|"URL" -> "http://zinc15.docking.org/substances/ZINC13376839"|>]|>, "6335" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.1, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "13376839", <|"URL" -> "http://zinc15.docking.org/substances/ZINC13376839"|>]|>, "6336" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.9, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "13376839", <|"URL" -> "http://zinc15.docking.org/substances/ZINC13376839"|>]|>, "6337" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18.7, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "13376839", <|"URL" -> "http://zinc15.docking.org/substances/ZINC13376839"|>]|>, "6338" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.5, "KilocaloriesThermochemical"/"Moles"]|>, "6339" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13., "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "13376839", <|"URL" -> "http://zinc15.docking.org/substances/ZINC13376839"|>]|>, "6340" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16., "KilocaloriesThermochemical"/"Moles"]|>, "6341" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.1, "KilocaloriesThermochemical"/"Moles"]|>, "6342" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1., "KilocaloriesThermochemical"/"Moles"]|>, "6343" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "6344" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "6345" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.2, "KilocaloriesThermochemical"/"Moles"]|>, "6346" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "6347" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"]|>, "6348" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "6349" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "6350" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "6351" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.3, "KilocaloriesThermochemical"/"Moles"]|>, "6352" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.9, "KilocaloriesThermochemical"/"Moles"]|>, "6353" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "6354" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "6355" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "6356" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "6357" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "6358" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "6359" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "6360" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "6361" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "6362" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "6363" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "6364" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.2, "KilocaloriesThermochemical"/"Moles"]|>, "6365" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.3, "KilocaloriesThermochemical"/"Moles"]|>, "6366" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.7, "KilocaloriesThermochemical"/"Moles"]|>, "6367" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.9, "KilocaloriesThermochemical"/"Moles"]|>, "6368" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "6369" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "6370" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "6371" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"]|>, "6372" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "6373" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "6374" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.3, "KilocaloriesThermochemical"/"Moles"]|>, "6375" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "6376" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.3, "KilocaloriesThermochemical"/"Moles"]|>, "6377" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.3, "KilocaloriesThermochemical"/"Moles"]|>, "6378" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.5, "KilocaloriesThermochemical"/"Moles"]|>, "6379" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "6380" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "6381" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "6382" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "6383" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "6384" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"]|>, "6385" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "6386" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "6387" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.2, "KilocaloriesThermochemical"/"Moles"]|>, "6388" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "6389" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "6390" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "6391" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.7, "KilocaloriesThermochemical"/"Moles"]|>, "6392" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.6, "KilocaloriesThermochemical"/"Moles"]|>, "6393" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.4, "KilocaloriesThermochemical"/"Moles"]|>, "6394" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "6395" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.2, "KilocaloriesThermochemical"/"Moles"]|>, "6396" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.3, "KilocaloriesThermochemical"/"Moles"]|>, "6397" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.4, "KilocaloriesThermochemical"/"Moles"]|>, "6398" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.6, "KilocaloriesThermochemical"/"Moles"]|>, "6399" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.3, "KilocaloriesThermochemical"/"Moles"]|>, "6400" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.6, "KilocaloriesThermochemical"/"Moles"]|>, "6401" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.1, "KilocaloriesThermochemical"/"Moles"]|>, "6402" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.4, "KilocaloriesThermochemical"/"Moles"]|>, "6403" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "6404" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.2, "KilocaloriesThermochemical"/"Moles"]|>, "6405" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.4, "KilocaloriesThermochemical"/"Moles"]|>, "6406" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.3, "KilocaloriesThermochemical"/"Moles"]|>, "6407" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.6, "KilocaloriesThermochemical"/"Moles"]|>, "6408" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.7, "KilocaloriesThermochemical"/"Moles"]|>, "6409" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.2, "KilocaloriesThermochemical"/"Moles"]|>, "6410" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.7, "KilocaloriesThermochemical"/"Moles"]|>, "6411" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "6412" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.4, "KilocaloriesThermochemical"/"Moles"]|>, "6413" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "6414" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "6415" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.9, "KilocaloriesThermochemical"/"Moles"]|>, "6416" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.2, "KilocaloriesThermochemical"/"Moles"]|>, "6417" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "6418" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1., "KilocaloriesThermochemical"/"Moles"]|>, "6419" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "6420" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "6421" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "6422" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.9, "KilocaloriesThermochemical"/"Moles"]|>, "6423" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.6, "KilocaloriesThermochemical"/"Moles"]|>, "6424" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.4, "KilocaloriesThermochemical"/"Moles"]|>, "6425" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.4, "KilocaloriesThermochemical"/"Moles"]|>, "6426" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.8, "KilocaloriesThermochemical"/"Moles"]|>, "6427" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "6428" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "6429" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "6430" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "6431" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "6432" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.4, "KilocaloriesThermochemical"/"Moles"]|>, "6433" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.5, "KilocaloriesThermochemical"/"Moles"]|>, "6434" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.4, "KilocaloriesThermochemical"/"Moles"]|>, "6435" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.7, "KilocaloriesThermochemical"/"Moles"]|>, "6436" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.8, "KilocaloriesThermochemical"/"Moles"]|>, "6437" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[23.7, "KilocaloriesThermochemical"/"Moles"]|>, "6438" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[22., "KilocaloriesThermochemical"/"Moles"]|>, "6439" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[23.4, "KilocaloriesThermochemical"/"Moles"]|>, "6440" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.6, "KilocaloriesThermochemical"/"Moles"]|>, "6441" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[27.1, "KilocaloriesThermochemical"/"Moles"]|>, "6442" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[24.7, "KilocaloriesThermochemical"/"Moles"]|>, "6443" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[20., "KilocaloriesThermochemical"/"Moles"]|>, "6444" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18.1, "KilocaloriesThermochemical"/"Moles"]|>, "6445" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.2, "KilocaloriesThermochemical"/"Moles"]|>, "6446" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.3, "KilocaloriesThermochemical"/"Moles"]|>, "6447" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[33.9, "KilocaloriesThermochemical"/"Moles"]|>, "6448" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[25.5, "KilocaloriesThermochemical"/"Moles"]|>, "6449" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[32.1, "KilocaloriesThermochemical"/"Moles"]|>, "6450" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.6, "KilocaloriesThermochemical"/"Moles"]|>, "6451" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.1, "KilocaloriesThermochemical"/"Moles"]|>, "6452" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.2, "KilocaloriesThermochemical"/"Moles"]|>, "6453" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.6, "KilocaloriesThermochemical"/"Moles"]|>, "6454" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.7, "KilocaloriesThermochemical"/"Moles"]|>, "6455" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.3, "KilocaloriesThermochemical"/"Moles"]|>, "6456" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.3, "KilocaloriesThermochemical"/"Moles"]|>, "6457" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.2, "KilocaloriesThermochemical"/"Moles"]|>, "6458" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.3, "KilocaloriesThermochemical"/"Moles"]|>, "6459" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.3, "KilocaloriesThermochemical"/"Moles"]|>, "6460" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.9, "KilocaloriesThermochemical"/"Moles"]|>, "6461" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9., "KilocaloriesThermochemical"/"Moles"]|>, "6462" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.2, "KilocaloriesThermochemical"/"Moles"]|>, "6463" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.6, "KilocaloriesThermochemical"/"Moles"]|>, "6464" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12., "KilocaloriesThermochemical"/"Moles"]|>, "6465" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.8, "KilocaloriesThermochemical"/"Moles"]|>, "6466" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.2, "KilocaloriesThermochemical"/"Moles"]|>, "6467" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.1, "KilocaloriesThermochemical"/"Moles"]|>, "6468" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.1, "KilocaloriesThermochemical"/"Moles"]|>, "6469" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.5, "KilocaloriesThermochemical"/"Moles"]|>, "6470" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.1, "KilocaloriesThermochemical"/"Moles"]|>, "6471" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.5, "KilocaloriesThermochemical"/"Moles"]|>, "6472" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.1, "KilocaloriesThermochemical"/"Moles"]|>, "6473" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1., "KilocaloriesThermochemical"/"Moles"]|>, "6474" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.8, "KilocaloriesThermochemical"/"Moles"]|>, "6475" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.1, "KilocaloriesThermochemical"/"Moles"]|>, "6476" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.1, "KilocaloriesThermochemical"/"Moles"]|>, "6477" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.3, "KilocaloriesThermochemical"/"Moles"]|>, "6478" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.2, "KilocaloriesThermochemical"/"Moles"]|>, "6479" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.5, "KilocaloriesThermochemical"/"Moles"]|>, "6480" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.6, "KilocaloriesThermochemical"/"Moles"]|>, "6481" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.6, "KilocaloriesThermochemical"/"Moles"]|>, "6482" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1., "KilocaloriesThermochemical"/"Moles"]|>, "6483" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.4, "KilocaloriesThermochemical"/"Moles"]|>, "6484" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.7, "KilocaloriesThermochemical"/"Moles"]|>, "6485" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "6486" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.5, "KilocaloriesThermochemical"/"Moles"]|>, "6487" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.7, "KilocaloriesThermochemical"/"Moles"]|>, "6488" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.7, "KilocaloriesThermochemical"/"Moles"]|>, "6489" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10., "KilocaloriesThermochemical"/"Moles"]|>, "6490" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.6, "KilocaloriesThermochemical"/"Moles"]|>, "6491" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.9, "KilocaloriesThermochemical"/"Moles"]|>, "6492" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.3, "KilocaloriesThermochemical"/"Moles"]|>, "6493" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.4, "KilocaloriesThermochemical"/"Moles"]|>, "6494" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.5, "KilocaloriesThermochemical"/"Moles"]|>, "6495" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.7, "KilocaloriesThermochemical"/"Moles"]|>, "6496" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.4, "KilocaloriesThermochemical"/"Moles"]|>, "6497" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.2, "KilocaloriesThermochemical"/"Moles"]|>, "6498" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.1, "KilocaloriesThermochemical"/"Moles"]|>, "6499" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.1, "KilocaloriesThermochemical"/"Moles"]|>, "6500" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.9, "KilocaloriesThermochemical"/"Moles"]|>, "6501" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.1, "KilocaloriesThermochemical"/"Moles"]|>, "6502" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.2, "KilocaloriesThermochemical"/"Moles"]|>, "6503" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "6504" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "6505" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2., "KilocaloriesThermochemical"/"Moles"]|>, "6506" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "6507" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.7, "KilocaloriesThermochemical"/"Moles"]|>, "6508" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.8, "KilocaloriesThermochemical"/"Moles"]|>, "6509" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "6510" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "6511" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.7, "KilocaloriesThermochemical"/"Moles"]|>, "6512" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.9, "KilocaloriesThermochemical"/"Moles"]|>, "6513" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.3, "KilocaloriesThermochemical"/"Moles"]|>, "6514" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "6515" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.3, "KilocaloriesThermochemical"/"Moles"]|>, "6516" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.4, "KilocaloriesThermochemical"/"Moles"]|>, "6517" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.4, "KilocaloriesThermochemical"/"Moles"]|>, "6518" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.9, "KilocaloriesThermochemical"/"Moles"]|>, "6519" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3., "KilocaloriesThermochemical"/"Moles"]|>, "6520" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.9, "KilocaloriesThermochemical"/"Moles"]|>, "6521" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.1, "KilocaloriesThermochemical"/"Moles"]|>, "6522" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.8, "KilocaloriesThermochemical"/"Moles"]|>, "6523" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.3, "KilocaloriesThermochemical"/"Moles"]|>, "6524" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.8, "KilocaloriesThermochemical"/"Moles"]|>, "6525" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.2, "KilocaloriesThermochemical"/"Moles"]|>, "6526" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.5, "KilocaloriesThermochemical"/"Moles"]|>, "6527" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.9, "KilocaloriesThermochemical"/"Moles"]|>, "6528" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6., "KilocaloriesThermochemical"/"Moles"]|>, "6529" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7., "KilocaloriesThermochemical"/"Moles"]|>, "6530" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.1, "KilocaloriesThermochemical"/"Moles"]|>, "6531" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.7, "KilocaloriesThermochemical"/"Moles"]|>, "6532" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.8, "KilocaloriesThermochemical"/"Moles"]|>, "6533" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7., "KilocaloriesThermochemical"/"Moles"]|>, "6534" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.7, "KilocaloriesThermochemical"/"Moles"]|>, "6535" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "6536" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.4, "KilocaloriesThermochemical"/"Moles"]|>, "6537" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7., "KilocaloriesThermochemical"/"Moles"]|>, "6538" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.4, "KilocaloriesThermochemical"/"Moles"]|>, "6539" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.7, "KilocaloriesThermochemical"/"Moles"]|>, "6540" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "6541" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.9, "KilocaloriesThermochemical"/"Moles"]|>, "6542" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.3, "KilocaloriesThermochemical"/"Moles"]|>, "6543" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.1, "KilocaloriesThermochemical"/"Moles"]|>, "6544" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.9, "KilocaloriesThermochemical"/"Moles"]|>, "6545" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.3, "KilocaloriesThermochemical"/"Moles"]|>, "6546" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "6547" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"]|>, "6548" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.2, "KilocaloriesThermochemical"/"Moles"]|>, "6549" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "6550" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "6551" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "6552" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"]|>, "6553" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.9, "KilocaloriesThermochemical"/"Moles"]|>, "6554" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "6555" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"]|>, "6556" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "6557" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "6558" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.9, "KilocaloriesThermochemical"/"Moles"]|>, "6559" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.5, "KilocaloriesThermochemical"/"Moles"]|>, "6560" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.5, "KilocaloriesThermochemical"/"Moles"]|>, "6561" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "6562" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1., "KilocaloriesThermochemical"/"Moles"]|>, "6563" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2., "KilocaloriesThermochemical"/"Moles"]|>, "6564" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.7, "KilocaloriesThermochemical"/"Moles"]|>, "6565" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.1, "KilocaloriesThermochemical"/"Moles"]|>, "6566" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "6567" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "6568" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "6569" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.7, "KilocaloriesThermochemical"/"Moles"]|>, "6570" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.1, "KilocaloriesThermochemical"/"Moles"]|>, "6571" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1., "KilocaloriesThermochemical"/"Moles"]|>, "6572" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0., "KilocaloriesThermochemical"/"Moles"]|>, "6573" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"]|>, "6574" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"]|>, "6575" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"]|>, "6576" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1., "KilocaloriesThermochemical"/"Moles"]|>, "6577" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.2, "KilocaloriesThermochemical"/"Moles"]|>, "6578" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.3, "KilocaloriesThermochemical"/"Moles"]|>, "6579" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.7, "KilocaloriesThermochemical"/"Moles"]|>, "6580" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.4, "KilocaloriesThermochemical"/"Moles"]|>, "6581" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.6, "KilocaloriesThermochemical"/"Moles"]|>, "6582" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.1, "KilocaloriesThermochemical"/"Moles"]|>, "6583" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"]|>, "6584" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.7, "KilocaloriesThermochemical"/"Moles"]|>, "6585" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.6, "KilocaloriesThermochemical"/"Moles"]|>, "6586" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.7, "KilocaloriesThermochemical"/"Moles"]|>, "6587" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3., "KilocaloriesThermochemical"/"Moles"]|>, "6588" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.9, "KilocaloriesThermochemical"/"Moles"]|>, "6589" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.8, "KilocaloriesThermochemical"/"Moles"]|>, "6590" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.3, "KilocaloriesThermochemical"/"Moles"]|>, "6591" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "6592" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0., "KilocaloriesThermochemical"/"Moles"]|>, "6593" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.3, "KilocaloriesThermochemical"/"Moles"]|>, "6594" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.5, "KilocaloriesThermochemical"/"Moles"]|>, "6595" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.9, "KilocaloriesThermochemical"/"Moles"]|>, "6596" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.8, "KilocaloriesThermochemical"/"Moles"]|>, "6597" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.4, "KilocaloriesThermochemical"/"Moles"]|>, "6598" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.4, "KilocaloriesThermochemical"/"Moles"]|>, "6599" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "6600" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "6601" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "6602" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2., "KilocaloriesThermochemical"/"Moles"]|>, "6603" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "6604" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "6605" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "6606" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "6607" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "6608" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "6609" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "6610" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "6611" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2., "KilocaloriesThermochemical"/"Moles"]|>, "6612" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.4, "KilocaloriesThermochemical"/"Moles"]|>, "6613" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "6614" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "6615" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "6616" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.2, "KilocaloriesThermochemical"/"Moles"]|>, "6617" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.1, "KilocaloriesThermochemical"/"Moles"]|>, "6618" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "6619" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.5, "KilocaloriesThermochemical"/"Moles"]|>, "6620" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[21.3, "KilocaloriesThermochemical"/"Moles"]|>, "6621" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.4, "KilocaloriesThermochemical"/"Moles"]|>, "6622" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[27.9, "KilocaloriesThermochemical"/"Moles"]|>, "6623" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7., "KilocaloriesThermochemical"/"Moles"]|>, "6624" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3., "KilocaloriesThermochemical"/"Moles"]|>, "6625" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.7, "KilocaloriesThermochemical"/"Moles"]|>, "6626" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.9, "KilocaloriesThermochemical"/"Moles"]|>, "6627" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9., "KilocaloriesThermochemical"/"Moles"]|>, "6628" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.5, "KilocaloriesThermochemical"/"Moles"]|>, "6629" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.6, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "39014435 ", <|"URL" -> "http://zinc15.docking.org/substances/ZINC39014435 "|>]|>, "6630" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.5, "KilocaloriesThermochemical"/"Moles"]|>, "6631" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.7, "KilocaloriesThermochemical"/"Moles"]|>, "6632" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[21.9, "KilocaloriesThermochemical"/"Moles"]|>, "6633" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.4, "KilocaloriesThermochemical"/"Moles"]|>, "6634" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.4, "KilocaloriesThermochemical"/"Moles"]|>, "6635" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.1, "KilocaloriesThermochemical"/"Moles"]|>, "6636" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.5, "KilocaloriesThermochemical"/"Moles"]|>, "6637" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.5, "KilocaloriesThermochemical"/"Moles"]|>, "6638" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.3, "KilocaloriesThermochemical"/"Moles"]|>, "6639" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5., "KilocaloriesThermochemical"/"Moles"]|>, "6640" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.9, "KilocaloriesThermochemical"/"Moles"]|>, "6641" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.4, "KilocaloriesThermochemical"/"Moles"]|>, "6642" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.5, "KilocaloriesThermochemical"/"Moles"]|>, "6643" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.4, "KilocaloriesThermochemical"/"Moles"]|>, "6644" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.6, "KilocaloriesThermochemical"/"Moles"]|>, "6645" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.6, "KilocaloriesThermochemical"/"Moles"]|>, "6646" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.3, "KilocaloriesThermochemical"/"Moles"]|>, "6647" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.4, "KilocaloriesThermochemical"/"Moles"]|>, "6648" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.7, "KilocaloriesThermochemical"/"Moles"]|>, "6649" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.8, "KilocaloriesThermochemical"/"Moles"]|>, "6650" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.3, "KilocaloriesThermochemical"/"Moles"]|>, "6651" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.5, "KilocaloriesThermochemical"/"Moles"]|>, "6652" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.6, "KilocaloriesThermochemical"/"Moles"]|>, "6653" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.6, "KilocaloriesThermochemical"/"Moles"]|>, "6654" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.9, "KilocaloriesThermochemical"/"Moles"]|>, "6655" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.2, "KilocaloriesThermochemical"/"Moles"]|>, "6656" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.5, "KilocaloriesThermochemical"/"Moles"]|>, "6657" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.5, "KilocaloriesThermochemical"/"Moles"]|>, "6658" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.7, "KilocaloriesThermochemical"/"Moles"]|>, "6659" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.5, "KilocaloriesThermochemical"/"Moles"]|>, "6660" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.2, "KilocaloriesThermochemical"/"Moles"]|>, "6661" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.6, "KilocaloriesThermochemical"/"Moles"]|>, "6662" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.7, "KilocaloriesThermochemical"/"Moles"]|>, "6663" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1., "KilocaloriesThermochemical"/"Moles"]|>, "6664" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.1, "KilocaloriesThermochemical"/"Moles"]|>, "6665" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2., "KilocaloriesThermochemical"/"Moles"]|>, "6666" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.7, "KilocaloriesThermochemical"/"Moles"]|>, "6667" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2., "KilocaloriesThermochemical"/"Moles"]|>, "6668" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.5, "KilocaloriesThermochemical"/"Moles"]|>, "6669" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.6, "KilocaloriesThermochemical"/"Moles"]|>, "6670" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.4, "KilocaloriesThermochemical"/"Moles"]|>, "6671" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.9, "KilocaloriesThermochemical"/"Moles"]|>, "6672" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.6, "KilocaloriesThermochemical"/"Moles"]|>, "6673" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.9, "KilocaloriesThermochemical"/"Moles"]|>, "6674" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.1, "KilocaloriesThermochemical"/"Moles"]|>, "6675" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.9, "KilocaloriesThermochemical"/"Moles"]|>, "6676" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.2, "KilocaloriesThermochemical"/"Moles"]|>, "6677" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.7, "KilocaloriesThermochemical"/"Moles"]|>, "6678" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.2, "KilocaloriesThermochemical"/"Moles"]|>, "6679" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "6680" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "6681" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "6682" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "6683" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.4, "KilocaloriesThermochemical"/"Moles"]|>, "6684" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.1, "KilocaloriesThermochemical"/"Moles"]|>, "6685" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "6686" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "6687" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.3, "KilocaloriesThermochemical"/"Moles"]|>, "6688" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"]|>, "6689" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.8, "KilocaloriesThermochemical"/"Moles"]|>, "6690" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.5, "KilocaloriesThermochemical"/"Moles"]|>, "6691" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "6692" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "6693" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "6694" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "6695" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.1, "KilocaloriesThermochemical"/"Moles"]|>, "6696" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13., "KilocaloriesThermochemical"/"Moles"]|>, "6697" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1., "KilocaloriesThermochemical"/"Moles"]|>, "6698" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.4, "KilocaloriesThermochemical"/"Moles"]|>, "6699" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.6, "KilocaloriesThermochemical"/"Moles"]|>, "6700" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.6, "KilocaloriesThermochemical"/"Moles"]|>, "6701" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.9, "KilocaloriesThermochemical"/"Moles"]|>, "6702" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.7, "KilocaloriesThermochemical"/"Moles"]|>, "6703" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.7, "KilocaloriesThermochemical"/"Moles"]|>, "6704" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15., "KilocaloriesThermochemical"/"Moles"]|>, "6705" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[21.2, "KilocaloriesThermochemical"/"Moles"]|>, "6706" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[22.4, "KilocaloriesThermochemical"/"Moles"]|>, "6707" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.8, "KilocaloriesThermochemical"/"Moles"]|>, "6708" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[24.6, "KilocaloriesThermochemical"/"Moles"]|>, "6709" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[23., "KilocaloriesThermochemical"/"Moles"]|>, "6710" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[26.3, "KilocaloriesThermochemical"/"Moles"]|>, "6711" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.1, "KilocaloriesThermochemical"/"Moles"]|>, "6712" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.8, "KilocaloriesThermochemical"/"Moles"]|>, "6713" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[21.3, "KilocaloriesThermochemical"/"Moles"]|>, "6714" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[19.6, "KilocaloriesThermochemical"/"Moles"]|>, "6715" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.1, "KilocaloriesThermochemical"/"Moles"]|>, "6716" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[21.6, "KilocaloriesThermochemical"/"Moles"]|>, "6717" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18.2, "KilocaloriesThermochemical"/"Moles"]|>, "6718" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[19.5, "KilocaloriesThermochemical"/"Moles"]|>, "6719" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.5, "KilocaloriesThermochemical"/"Moles"]|>, "6720" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.2, "KilocaloriesThermochemical"/"Moles"]|>, "6721" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3., "KilocaloriesThermochemical"/"Moles"]|>, "6722" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.3, "KilocaloriesThermochemical"/"Moles"]|>, "6723" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.4, "KilocaloriesThermochemical"/"Moles"]|>, "6724" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.2, "KilocaloriesThermochemical"/"Moles"]|>, "6725" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.6, "KilocaloriesThermochemical"/"Moles"]|>, "6726" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.8, "KilocaloriesThermochemical"/"Moles"]|>, "6727" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.4, "KilocaloriesThermochemical"/"Moles"]|>, "6728" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.2, "KilocaloriesThermochemical"/"Moles"]|>, "6729" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.2, "KilocaloriesThermochemical"/"Moles"]|>, "6730" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.5, "KilocaloriesThermochemical"/"Moles"]|>, "6731" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.1, "KilocaloriesThermochemical"/"Moles"]|>, "6732" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.7, "KilocaloriesThermochemical"/"Moles"]|>, "6733" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.8, "KilocaloriesThermochemical"/"Moles"]|>, "6734" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9., "KilocaloriesThermochemical"/"Moles"]|>, "6735" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.3, "KilocaloriesThermochemical"/"Moles"]|>, "6736" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.5, "KilocaloriesThermochemical"/"Moles"]|>, "6737" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.7, "KilocaloriesThermochemical"/"Moles"]|>, "6738" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.3, "KilocaloriesThermochemical"/"Moles"]|>, "6739" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.7, "KilocaloriesThermochemical"/"Moles"]|>, "6740" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.9, "KilocaloriesThermochemical"/"Moles"]|>, "6741" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.3, "KilocaloriesThermochemical"/"Moles"]|>, "6742" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.9, "KilocaloriesThermochemical"/"Moles"]|>, "6743" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.2, "KilocaloriesThermochemical"/"Moles"]|>, "6744" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.9, "KilocaloriesThermochemical"/"Moles"]|>, "6745" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.3, "KilocaloriesThermochemical"/"Moles"]|>, "6746" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.5, "KilocaloriesThermochemical"/"Moles"]|>, "6747" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.9, "KilocaloriesThermochemical"/"Moles"]|>, "6748" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.3, "KilocaloriesThermochemical"/"Moles"]|>, "6749" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0., "KilocaloriesThermochemical"/"Moles"]|>, "6750" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.9, "KilocaloriesThermochemical"/"Moles"]|>, "6751" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.3, "KilocaloriesThermochemical"/"Moles"]|>, "6752" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "6753" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "6754" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.6, "KilocaloriesThermochemical"/"Moles"]|>, "6755" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "6756" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.8, "KilocaloriesThermochemical"/"Moles"]|>, "6757" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.7, "KilocaloriesThermochemical"/"Moles"]|>, "6758" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "6759" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.5, "KilocaloriesThermochemical"/"Moles"]|>, "6760" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.4, "KilocaloriesThermochemical"/"Moles"]|>, "6761" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3., "KilocaloriesThermochemical"/"Moles"]|>, "6762" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.1, "KilocaloriesThermochemical"/"Moles"]|>, "6763" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.1, "KilocaloriesThermochemical"/"Moles"]|>, "6764" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "6765" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "6766" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"]|>, "6767" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "6768" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5., "KilocaloriesThermochemical"/"Moles"]|>, "6769" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.8, "KilocaloriesThermochemical"/"Moles"]|>, "6770" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.9, "KilocaloriesThermochemical"/"Moles"]|>, "6771" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "6772" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.3, "KilocaloriesThermochemical"/"Moles"]|>, "6773" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "6774" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "6775" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.1, "KilocaloriesThermochemical"/"Moles"]|>, "6776" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.4, "KilocaloriesThermochemical"/"Moles"]|>, "6777" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.1, "KilocaloriesThermochemical"/"Moles"]|>, "6778" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.7, "KilocaloriesThermochemical"/"Moles"]|>, "6779" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.1, "KilocaloriesThermochemical"/"Moles"]|>, "6780" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.9, "KilocaloriesThermochemical"/"Moles"]|>, "6781" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.3, "KilocaloriesThermochemical"/"Moles"]|>, "6782" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.2, "KilocaloriesThermochemical"/"Moles"]|>, "6783" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"]|>, "6784" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18.2, "KilocaloriesThermochemical"/"Moles"]|>, "6785" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.4, "KilocaloriesThermochemical"/"Moles"]|>, "6786" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.2, "KilocaloriesThermochemical"/"Moles"]|>, "6787" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18.5, "KilocaloriesThermochemical"/"Moles"]|>, "6788" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.7, "KilocaloriesThermochemical"/"Moles"]|>, "6789" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.9, "KilocaloriesThermochemical"/"Moles"]|>, "6790" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.1, "KilocaloriesThermochemical"/"Moles"]|>, "6791" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.9, "KilocaloriesThermochemical"/"Moles"]|>, "6792" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "6793" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1., "KilocaloriesThermochemical"/"Moles"]|>, "6794" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.3, "KilocaloriesThermochemical"/"Moles"]|>, "6795" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"]|>, "6796" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[25.8, "KilocaloriesThermochemical"/"Moles"]|>, "6797" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "6798" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "6799" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[52., "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "3780340 ", <|"URL" -> "http://zinc15.docking.org/substances/ZINC3780340 "|>]|>, "6800" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.9, "KilocaloriesThermochemical"/"Moles"]|>, "6801" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.4, "KilocaloriesThermochemical"/"Moles"]|>, "6802" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.5, "KilocaloriesThermochemical"/"Moles"]|>, "6803" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.3, "KilocaloriesThermochemical"/"Moles"]|>, "6804" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.5, "KilocaloriesThermochemical"/"Moles"]|>, "6805" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.2, "KilocaloriesThermochemical"/"Moles"]|>, "6806" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.7, "KilocaloriesThermochemical"/"Moles"]|>, "6807" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.7, "KilocaloriesThermochemical"/"Moles"]|>, "6808" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.8, "KilocaloriesThermochemical"/"Moles"]|>, "6809" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.8, "KilocaloriesThermochemical"/"Moles"]|>, "6810" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.3, "KilocaloriesThermochemical"/"Moles"]|>, "6811" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.5, "KilocaloriesThermochemical"/"Moles"]|>, "6812" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.9, "KilocaloriesThermochemical"/"Moles"]|>, "6813" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.8, "KilocaloriesThermochemical"/"Moles"]|>, "6814" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.1, "KilocaloriesThermochemical"/"Moles"]|>, "6815" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"]|>, "6816" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.9, "KilocaloriesThermochemical"/"Moles"]|>, "6817" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.5, "KilocaloriesThermochemical"/"Moles"]|>, "6818" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "6819" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.9, "KilocaloriesThermochemical"/"Moles"]|>, "6820" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.2, "KilocaloriesThermochemical"/"Moles"]|>, "6821" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.1, "KilocaloriesThermochemical"/"Moles"]|>, "6822" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.4, "KilocaloriesThermochemical"/"Moles"]|>, "6823" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"]|>, "6824" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"]|>, "6825" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"]|>, "6826" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "6827" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.3, "KilocaloriesThermochemical"/"Moles"]|>, "6828" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.4, "KilocaloriesThermochemical"/"Moles"]|>, "6829" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "6830" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"]|>, "6831" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "6832" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "6833" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "6834" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "6835" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"]|>, "6836" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "6837" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "6838" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "6839" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "6840" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "6841" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "6842" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "6843" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "6844" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[176.7, "KilocaloriesThermochemical"/"Moles"]|>, "6845" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "6846" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[189.5, "KilocaloriesThermochemical"/"Moles"]|>, "6847" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16., "KilocaloriesThermochemical"/"Moles"]|>, "6848" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "6849" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "6850" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.2, "KilocaloriesThermochemical"/"Moles"]|>, "6851" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "6852" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"]|>, "6853" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.6, "KilocaloriesThermochemical"/"Moles"]|>, "6854" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.1, "KilocaloriesThermochemical"/"Moles"]|>, "6855" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[31.8, "KilocaloriesThermochemical"/"Moles"]|>, "6856" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4., "KilocaloriesThermochemical"/"Moles"]|>, "6857" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.1, "KilocaloriesThermochemical"/"Moles"]|>, "6858" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.5, "KilocaloriesThermochemical"/"Moles"]|>, "6859" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18.2, "KilocaloriesThermochemical"/"Moles"]|>, "6860" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[39.6, "KilocaloriesThermochemical"/"Moles"]|>, "6861" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.3, "KilocaloriesThermochemical"/"Moles"]|>, "6862" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"]|>, "6863" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.6, "KilocaloriesThermochemical"/"Moles"]|>, "6864" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.2, "KilocaloriesThermochemical"/"Moles"]|>, "6865" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "6866" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "6867" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.6, "KilocaloriesThermochemical"/"Moles"]|>, "6868" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"]|>, "6869" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "6870" -> <|"IsolatedSProteinVinaScore" -> Quantity[-7.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.5, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "100777399 ", <|"URL" -> "http://zinc15.docking.org/substances/ZINC100777399 "|>]|>, "6871" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.2, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "100777399 ", <|"URL" -> "http://zinc15.docking.org/substances/ZINC100777399 "|>]|>, "6872" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.4, "KilocaloriesThermochemical"/"Moles"]|>, "6873" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.6, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "100777399 ", <|"URL" -> "http://zinc15.docking.org/substances/ZINC100777399 "|>]|>, "6874" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.9, "KilocaloriesThermochemical"/"Moles"]|>, "6875" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.5, "KilocaloriesThermochemical"/"Moles"]|>, "6876" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.2, "KilocaloriesThermochemical"/"Moles"]|>, "6877" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.1, "KilocaloriesThermochemical"/"Moles"]|>, "6878" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.4, "KilocaloriesThermochemical"/"Moles"]|>, "6879" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.4, "KilocaloriesThermochemical"/"Moles"]|>, "6880" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.3, "KilocaloriesThermochemical"/"Moles"]|>, "6881" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.8, "KilocaloriesThermochemical"/"Moles"]|>, "6882" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "6883" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "6884" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "6885" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.7, "KilocaloriesThermochemical"/"Moles"]|>, "6886" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "6887" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"]|>, "6888" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"]|>, "6889" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "6890" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "6891" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "6892" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"]|>, "6893" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "6894" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"]|>, "6895" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "6896" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"]|>, "6897" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "6898" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[25.7, "KilocaloriesThermochemical"/"Moles"]|>, "6899" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.6, "KilocaloriesThermochemical"/"Moles"]|>, "6900" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[26.1, "KilocaloriesThermochemical"/"Moles"]|>, "6901" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13., "KilocaloriesThermochemical"/"Moles"]|>, "6902" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[27., "KilocaloriesThermochemical"/"Moles"]|>, "6903" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.3, "KilocaloriesThermochemical"/"Moles"]|>, "6904" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[20.6, "KilocaloriesThermochemical"/"Moles"]|>, "6905" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[34.7, "KilocaloriesThermochemical"/"Moles"]|>, "6906" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[22.6, "KilocaloriesThermochemical"/"Moles"]|>, "6907" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[25.3, "KilocaloriesThermochemical"/"Moles"]|>, "6908" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[29.6, "KilocaloriesThermochemical"/"Moles"]|>, "6909" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[27., "KilocaloriesThermochemical"/"Moles"]|>, "6910" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.2, "KilocaloriesThermochemical"/"Moles"]|>, "6911" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.1, "KilocaloriesThermochemical"/"Moles"]|>, "6912" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.7, "KilocaloriesThermochemical"/"Moles"]|>, "6913" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[25.9, "KilocaloriesThermochemical"/"Moles"]|>, "6914" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.6, "KilocaloriesThermochemical"/"Moles"]|>, "6915" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8., "KilocaloriesThermochemical"/"Moles"]|>, "6916" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.9, "KilocaloriesThermochemical"/"Moles"]|>, "6917" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.5, "KilocaloriesThermochemical"/"Moles"]|>, "6918" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.7, "KilocaloriesThermochemical"/"Moles"]|>, "6919" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.2, "KilocaloriesThermochemical"/"Moles"]|>, "6920" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.2, "KilocaloriesThermochemical"/"Moles"]|>, "6921" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.4, "KilocaloriesThermochemical"/"Moles"]|>, "6922" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.6, "KilocaloriesThermochemical"/"Moles"]|>, "6923" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.3, "KilocaloriesThermochemical"/"Moles"]|>, "6924" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7., "KilocaloriesThermochemical"/"Moles"]|>, "6925" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.7, "KilocaloriesThermochemical"/"Moles"]|>, "6926" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.5, "KilocaloriesThermochemical"/"Moles"]|>, "6927" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.7, "KilocaloriesThermochemical"/"Moles"]|>, "6928" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.5, "KilocaloriesThermochemical"/"Moles"]|>, "6929" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.2, "KilocaloriesThermochemical"/"Moles"]|>, "6930" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.2, "KilocaloriesThermochemical"/"Moles"]|>, "6931" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "6932" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.1, "KilocaloriesThermochemical"/"Moles"]|>, "6933" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1., "KilocaloriesThermochemical"/"Moles"]|>, "6934" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.8, "KilocaloriesThermochemical"/"Moles"]|>, "6935" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"]|>, "6936" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.9, "KilocaloriesThermochemical"/"Moles"]|>, "6937" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.7, "KilocaloriesThermochemical"/"Moles"]|>, "6938" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.1, "KilocaloriesThermochemical"/"Moles"]|>, "6939" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.2, "KilocaloriesThermochemical"/"Moles"]|>, "6940" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11., "KilocaloriesThermochemical"/"Moles"]|>, "6941" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.2, "KilocaloriesThermochemical"/"Moles"]|>, "6942" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.5, "KilocaloriesThermochemical"/"Moles"]|>, "6943" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "6944" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.3, "KilocaloriesThermochemical"/"Moles"]|>, "6945" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "6946" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.3, "KilocaloriesThermochemical"/"Moles"]|>, "6947" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "6948" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"]|>, "6949" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.2, "KilocaloriesThermochemical"/"Moles"]|>, "6950" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.2, "KilocaloriesThermochemical"/"Moles"]|>, "6951" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.5, "KilocaloriesThermochemical"/"Moles"]|>, "6952" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.7, "KilocaloriesThermochemical"/"Moles"]|>, "6953" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5., "KilocaloriesThermochemical"/"Moles"]|>, "6954" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.4, "KilocaloriesThermochemical"/"Moles"]|>, "6955" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.6, "KilocaloriesThermochemical"/"Moles"]|>, "6956" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.9, "KilocaloriesThermochemical"/"Moles"]|>, "6957" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.6, "KilocaloriesThermochemical"/"Moles"]|>, "6958" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.5, "KilocaloriesThermochemical"/"Moles"]|>, "6959" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.4, "KilocaloriesThermochemical"/"Moles"]|>, "6960" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.2, "KilocaloriesThermochemical"/"Moles"]|>, "6961" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.4, "KilocaloriesThermochemical"/"Moles"]|>, "6962" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.4, "KilocaloriesThermochemical"/"Moles"]|>, "6963" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.1, "KilocaloriesThermochemical"/"Moles"]|>, "6964" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.5, "KilocaloriesThermochemical"/"Moles"]|>, "6965" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.6, "KilocaloriesThermochemical"/"Moles"]|>, "6966" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6., "KilocaloriesThermochemical"/"Moles"]|>, "6967" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.2, "KilocaloriesThermochemical"/"Moles"]|>, "6968" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8., "KilocaloriesThermochemical"/"Moles"]|>, "6969" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.8, "KilocaloriesThermochemical"/"Moles"]|>, "6970" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5., "KilocaloriesThermochemical"/"Moles"]|>, "6971" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"]|>, "6972" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.5, "KilocaloriesThermochemical"/"Moles"]|>, "6973" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "6974" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.9, "KilocaloriesThermochemical"/"Moles"]|>, "6975" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"]|>, "6976" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.3, "KilocaloriesThermochemical"/"Moles"]|>, "6977" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.7, "KilocaloriesThermochemical"/"Moles"]|>, "6978" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.5, "KilocaloriesThermochemical"/"Moles"]|>, "6979" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.3, "KilocaloriesThermochemical"/"Moles"]|>, "6980" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.6, "KilocaloriesThermochemical"/"Moles"]|>, "6981" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.1, "KilocaloriesThermochemical"/"Moles"]|>, "6982" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.3, "KilocaloriesThermochemical"/"Moles"]|>, "6983" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.8, "KilocaloriesThermochemical"/"Moles"]|>, "6984" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7., "KilocaloriesThermochemical"/"Moles"]|>, "6985" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.7, "KilocaloriesThermochemical"/"Moles"]|>, "6986" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.2, "KilocaloriesThermochemical"/"Moles"]|>, "6987" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.6, "KilocaloriesThermochemical"/"Moles"]|>, "6988" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17., "KilocaloriesThermochemical"/"Moles"]|>, "6989" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18.6, "KilocaloriesThermochemical"/"Moles"]|>, "6990" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.8, "KilocaloriesThermochemical"/"Moles"]|>, "6991" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.9, "KilocaloriesThermochemical"/"Moles"]|>, "6992" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.7, "KilocaloriesThermochemical"/"Moles"]|>, "6993" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "6994" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.1, "KilocaloriesThermochemical"/"Moles"]|>, "6995" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.3, "KilocaloriesThermochemical"/"Moles"]|>, "6996" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.6, "KilocaloriesThermochemical"/"Moles"]|>, "6997" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"]|>, "6998" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "6999" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.5, "KilocaloriesThermochemical"/"Moles"]|>, "7000" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.7, "KilocaloriesThermochemical"/"Moles"]|>, "7001" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "7002" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "7003" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1., "KilocaloriesThermochemical"/"Moles"]|>, "7004" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.6, "KilocaloriesThermochemical"/"Moles"]|>, "7005" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "7006" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.7, "KilocaloriesThermochemical"/"Moles"]|>, "7007" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8., "KilocaloriesThermochemical"/"Moles"]|>, "7008" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.6, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "42803913 ", <|"URL" -> "http://zinc15.docking.org/substances/ZINC42803913 "|>]|>, "7009" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8., "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "42803913 ", <|"URL" -> "http://zinc15.docking.org/substances/ZINC42803913 "|>]|>, "7010" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.8, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "42803913 ", <|"URL" -> "http://zinc15.docking.org/substances/ZINC42803913 "|>]|>, "7011" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.6, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "42803913 ", <|"URL" -> "http://zinc15.docking.org/substances/ZINC42803913 "|>]|>, "7012" -> <|"IsolatedSProteinVinaScore" -> Quantity[-7.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.2, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "42803913 ", <|"URL" -> "http://zinc15.docking.org/substances/ZINC42803913 "|>]|>, "7013" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[19.1, "KilocaloriesThermochemical"/"Moles"]|>, "7014" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10., "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "42803913 ", <|"URL" -> "http://zinc15.docking.org/substances/ZINC42803913 "|>]|>, "7015" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18.9, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "42803913 ", <|"URL" -> "http://zinc15.docking.org/substances/ZINC42803913 "|>]|>, "7016" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.1, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "42803913 ", <|"URL" -> "http://zinc15.docking.org/substances/ZINC42803913 "|>]|>, "7017" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10., "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "42803913 ", <|"URL" -> "http://zinc15.docking.org/substances/ZINC42803913 "|>]|>, "7018" -> <|"IsolatedSProteinVinaScore" -> Quantity[-7., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.8, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "42803913 ", <|"URL" -> "http://zinc15.docking.org/substances/ZINC42803913 "|>]|>, "7019" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.6, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "42803913 ", <|"URL" -> "http://zinc15.docking.org/substances/ZINC42803913 "|>]|>, "7020" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[20., "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "42803913 ", <|"URL" -> "http://zinc15.docking.org/substances/ZINC42803913 "|>]|>, "7021" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.1, "KilocaloriesThermochemical"/"Moles"]|>, "7022" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.9, "KilocaloriesThermochemical"/"Moles"]|>, "7023" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.6, "KilocaloriesThermochemical"/"Moles"]|>, "7024" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "7025" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "7026" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.9, "KilocaloriesThermochemical"/"Moles"]|>, "7027" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.5, "KilocaloriesThermochemical"/"Moles"]|>, "7028" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.4, "KilocaloriesThermochemical"/"Moles"]|>, "7029" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.1, "KilocaloriesThermochemical"/"Moles"]|>, "7030" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2., "KilocaloriesThermochemical"/"Moles"]|>, "7031" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.5, "KilocaloriesThermochemical"/"Moles"]|>, "7032" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.8, "KilocaloriesThermochemical"/"Moles"]|>, "7033" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.9, "KilocaloriesThermochemical"/"Moles"]|>, "7034" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.9, "KilocaloriesThermochemical"/"Moles"]|>, "7035" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.6, "KilocaloriesThermochemical"/"Moles"]|>, "7036" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "7037" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2., "KilocaloriesThermochemical"/"Moles"]|>, "7038" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"]|>, "7039" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "7040" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"]|>, "7041" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2., "KilocaloriesThermochemical"/"Moles"]|>, "7042" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "7043" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"]|>, "7044" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "7045" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "7046" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "7047" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "7048" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2., "KilocaloriesThermochemical"/"Moles"]|>, "7049" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.9, "KilocaloriesThermochemical"/"Moles"]|>, "7050" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2., "KilocaloriesThermochemical"/"Moles"]|>, "7051" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"]|>, "7052" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3., "KilocaloriesThermochemical"/"Moles"]|>, "7053" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.2, "KilocaloriesThermochemical"/"Moles"]|>, "7054" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[34.2, "KilocaloriesThermochemical"/"Moles"]|>, "7055" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.2, "KilocaloriesThermochemical"/"Moles"]|>, "7056" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.1, "KilocaloriesThermochemical"/"Moles"]|>, "7057" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.7, "KilocaloriesThermochemical"/"Moles"]|>, "7058" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"]|>, "7059" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"]|>, "7060" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"]|>, "7061" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"]|>, "7062" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "7063" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "7064" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.5, "KilocaloriesThermochemical"/"Moles"]|>, "7065" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"]|>, "7066" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.1, "KilocaloriesThermochemical"/"Moles"]|>, "7067" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.5, "KilocaloriesThermochemical"/"Moles"]|>, "7068" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.2, "KilocaloriesThermochemical"/"Moles"]|>, "7069" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.3, "KilocaloriesThermochemical"/"Moles"]|>, "7070" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.1, "KilocaloriesThermochemical"/"Moles"]|>, "7071" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"]|>, "7072" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1., "KilocaloriesThermochemical"/"Moles"]|>, "7073" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "7074" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.8, "KilocaloriesThermochemical"/"Moles"]|>, "7075" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.7, "KilocaloriesThermochemical"/"Moles"]|>, "7076" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "7077" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.3, "KilocaloriesThermochemical"/"Moles"]|>, "7078" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5., "KilocaloriesThermochemical"/"Moles"]|>, "7079" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.6, "KilocaloriesThermochemical"/"Moles"]|>, "7080" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.7, "KilocaloriesThermochemical"/"Moles"]|>, "7081" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.4, "KilocaloriesThermochemical"/"Moles"]|>, "7082" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.6, "KilocaloriesThermochemical"/"Moles"]|>, "7083" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.1, "KilocaloriesThermochemical"/"Moles"]|>, "7084" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.3, "KilocaloriesThermochemical"/"Moles"]|>, "7085" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.8, "KilocaloriesThermochemical"/"Moles"]|>, "7086" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9., "KilocaloriesThermochemical"/"Moles"]|>, "7087" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.2, "KilocaloriesThermochemical"/"Moles"]|>, "7088" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.8, "KilocaloriesThermochemical"/"Moles"]|>, "7089" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.7, "KilocaloriesThermochemical"/"Moles"]|>, "7090" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.8, "KilocaloriesThermochemical"/"Moles"]|>, "7091" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18., "KilocaloriesThermochemical"/"Moles"]|>, "7092" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15., "KilocaloriesThermochemical"/"Moles"]|>, "7093" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.5, "KilocaloriesThermochemical"/"Moles"]|>, "7094" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.8, "KilocaloriesThermochemical"/"Moles"]|>, "7095" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"]|>, "7096" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.4, "KilocaloriesThermochemical"/"Moles"]|>, "7097" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.5, "KilocaloriesThermochemical"/"Moles"]|>, "7098" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.8, "KilocaloriesThermochemical"/"Moles"]|>, "7099" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.4, "KilocaloriesThermochemical"/"Moles"]|>, "7100" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.8, "KilocaloriesThermochemical"/"Moles"]|>, "7101" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.3, "KilocaloriesThermochemical"/"Moles"]|>, "7102" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.6, "KilocaloriesThermochemical"/"Moles"]|>, "7103" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4., "KilocaloriesThermochemical"/"Moles"]|>, "7104" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.1, "KilocaloriesThermochemical"/"Moles"]|>, "7105" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.5, "KilocaloriesThermochemical"/"Moles"]|>, "7106" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.2, "KilocaloriesThermochemical"/"Moles"]|>, "7107" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.8, "KilocaloriesThermochemical"/"Moles"]|>, "7108" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.5, "KilocaloriesThermochemical"/"Moles"]|>, "7109" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.2, "KilocaloriesThermochemical"/"Moles"]|>, "7110" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.4, "KilocaloriesThermochemical"/"Moles"]|>, "7111" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.2, "KilocaloriesThermochemical"/"Moles"]|>, "7112" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.5, "KilocaloriesThermochemical"/"Moles"]|>, "7113" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.8, "KilocaloriesThermochemical"/"Moles"]|>, "7114" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.1, "KilocaloriesThermochemical"/"Moles"]|>, "7115" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.9, "KilocaloriesThermochemical"/"Moles"]|>, "7116" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.5, "KilocaloriesThermochemical"/"Moles"]|>, "7117" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.2, "KilocaloriesThermochemical"/"Moles"]|>, "7118" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.8, "KilocaloriesThermochemical"/"Moles"]|>, "7119" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12., "KilocaloriesThermochemical"/"Moles"]|>, "7120" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.7, "KilocaloriesThermochemical"/"Moles"]|>, "7121" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.6, "KilocaloriesThermochemical"/"Moles"]|>, "7122" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.3, "KilocaloriesThermochemical"/"Moles"]|>, "7123" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7124" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7125" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7126" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7127" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.1, "KilocaloriesThermochemical"/"Moles"]|>, "7128" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.6, "KilocaloriesThermochemical"/"Moles"]|>, "7129" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.7, "KilocaloriesThermochemical"/"Moles"]|>, "7130" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.5, "KilocaloriesThermochemical"/"Moles"]|>, "7131" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.4, "KilocaloriesThermochemical"/"Moles"]|>, "7132" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5., "KilocaloriesThermochemical"/"Moles"]|>, "7133" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.6, "KilocaloriesThermochemical"/"Moles"]|>, "7134" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.7, "KilocaloriesThermochemical"/"Moles"]|>, "7135" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "7136" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.3, "KilocaloriesThermochemical"/"Moles"]|>, "7137" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.7, "KilocaloriesThermochemical"/"Moles"]|>, "7138" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.5, "KilocaloriesThermochemical"/"Moles"]|>, "7139" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "7140" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.3, "KilocaloriesThermochemical"/"Moles"]|>, "7141" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5., "KilocaloriesThermochemical"/"Moles"]|>, "7142" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.5, "KilocaloriesThermochemical"/"Moles"]|>, "7143" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[33.9, "KilocaloriesThermochemical"/"Moles"]|>, "7144" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.3, "KilocaloriesThermochemical"/"Moles"]|>, "7145" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.5, "KilocaloriesThermochemical"/"Moles"]|>, "7146" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"]|>, "7147" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "7148" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "7149" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"]|>, "7150" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.5, "KilocaloriesThermochemical"/"Moles"]|>, "7151" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.7, "KilocaloriesThermochemical"/"Moles"]|>, "7152" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "7153" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "7154" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.9, "KilocaloriesThermochemical"/"Moles"]|>, "7155" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"]|>, "7156" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.2, "KilocaloriesThermochemical"/"Moles"]|>, "7157" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.5, "KilocaloriesThermochemical"/"Moles"]|>, "7158" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10., "KilocaloriesThermochemical"/"Moles"]|>, "7159" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.9, "KilocaloriesThermochemical"/"Moles"]|>, "7160" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.1, "KilocaloriesThermochemical"/"Moles"]|>, "7161" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15., "KilocaloriesThermochemical"/"Moles"]|>, "7162" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14., "KilocaloriesThermochemical"/"Moles"]|>, "7163" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.2, "KilocaloriesThermochemical"/"Moles"]|>, "7164" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11., "KilocaloriesThermochemical"/"Moles"]|>, "7165" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.1, "KilocaloriesThermochemical"/"Moles"]|>, "7166" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.6, "KilocaloriesThermochemical"/"Moles"]|>, "7167" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.2, "KilocaloriesThermochemical"/"Moles"]|>, "7168" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18.3, "KilocaloriesThermochemical"/"Moles"]|>, "7169" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.4, "KilocaloriesThermochemical"/"Moles"]|>, "7170" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.2, "KilocaloriesThermochemical"/"Moles"]|>, "7171" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.6, "KilocaloriesThermochemical"/"Moles"]|>, "7172" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.6, "KilocaloriesThermochemical"/"Moles"]|>, "7173" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.7, "KilocaloriesThermochemical"/"Moles"]|>, "7174" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.4, "KilocaloriesThermochemical"/"Moles"]|>, "7175" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.9, "KilocaloriesThermochemical"/"Moles"]|>, "7176" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.5, "KilocaloriesThermochemical"/"Moles"]|>, "7177" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.1, "KilocaloriesThermochemical"/"Moles"]|>, "7178" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.4, "KilocaloriesThermochemical"/"Moles"]|>, "7179" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.1, "KilocaloriesThermochemical"/"Moles"]|>, "7180" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.7, "KilocaloriesThermochemical"/"Moles"]|>, "7181" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.8, "KilocaloriesThermochemical"/"Moles"]|>, "7182" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.1, "KilocaloriesThermochemical"/"Moles"]|>, "7183" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.1, "KilocaloriesThermochemical"/"Moles"]|>, "7184" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.3, "KilocaloriesThermochemical"/"Moles"]|>, "7185" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.6, "KilocaloriesThermochemical"/"Moles"]|>, "7186" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.8, "KilocaloriesThermochemical"/"Moles"]|>, "7187" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.8, "KilocaloriesThermochemical"/"Moles"]|>, "7188" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.4, "KilocaloriesThermochemical"/"Moles"]|>, "7189" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.2, "KilocaloriesThermochemical"/"Moles"]|>, "7190" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.5, "KilocaloriesThermochemical"/"Moles"]|>, "7191" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8., "KilocaloriesThermochemical"/"Moles"]|>, "7192" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.5, "KilocaloriesThermochemical"/"Moles"]|>, "7193" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.1, "KilocaloriesThermochemical"/"Moles"]|>, "7194" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.1, "KilocaloriesThermochemical"/"Moles"]|>, "7195" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.7, "KilocaloriesThermochemical"/"Moles"]|>, "7196" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8., "KilocaloriesThermochemical"/"Moles"]|>, "7197" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.7, "KilocaloriesThermochemical"/"Moles"]|>, "7198" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.7, "KilocaloriesThermochemical"/"Moles"]|>, "7199" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.3, "KilocaloriesThermochemical"/"Moles"]|>, "7200" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.5, "KilocaloriesThermochemical"/"Moles"]|>, "7201" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.9, "KilocaloriesThermochemical"/"Moles"]|>, "7202" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.7, "KilocaloriesThermochemical"/"Moles"]|>, "7203" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.8, "KilocaloriesThermochemical"/"Moles"]|>, "7204" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.4, "KilocaloriesThermochemical"/"Moles"]|>, "7205" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.7, "KilocaloriesThermochemical"/"Moles"]|>, "7206" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.8, "KilocaloriesThermochemical"/"Moles"]|>, "7207" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.3, "KilocaloriesThermochemical"/"Moles"]|>, "7208" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"]|>, "7209" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.9, "KilocaloriesThermochemical"/"Moles"]|>, "7210" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.8, "KilocaloriesThermochemical"/"Moles"]|>, "7211" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.6, "KilocaloriesThermochemical"/"Moles"]|>, "7212" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.3, "KilocaloriesThermochemical"/"Moles"]|>, "7213" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.3, "KilocaloriesThermochemical"/"Moles"]|>, "7214" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.7, "KilocaloriesThermochemical"/"Moles"]|>, "7215" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.3, "KilocaloriesThermochemical"/"Moles"]|>, "7216" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.8, "KilocaloriesThermochemical"/"Moles"]|>, "7217" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.1, "KilocaloriesThermochemical"/"Moles"]|>, "7218" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.9, "KilocaloriesThermochemical"/"Moles"]|>, "7219" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6., "KilocaloriesThermochemical"/"Moles"]|>, "7220" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.4, "KilocaloriesThermochemical"/"Moles"]|>, "7221" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.2, "KilocaloriesThermochemical"/"Moles"]|>, "7222" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.6, "KilocaloriesThermochemical"/"Moles"]|>, "7223" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.1, "KilocaloriesThermochemical"/"Moles"]|>, "7224" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.6, "KilocaloriesThermochemical"/"Moles"]|>, "7225" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.7, "KilocaloriesThermochemical"/"Moles"]|>, "7226" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.2, "KilocaloriesThermochemical"/"Moles"]|>, "7227" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.4, "KilocaloriesThermochemical"/"Moles"]|>, "7228" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.6, "KilocaloriesThermochemical"/"Moles"]|>, "7229" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.3, "KilocaloriesThermochemical"/"Moles"]|>, "7230" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.5, "KilocaloriesThermochemical"/"Moles"]|>, "7231" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.8, "KilocaloriesThermochemical"/"Moles"]|>, "7232" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.1, "KilocaloriesThermochemical"/"Moles"]|>, "7233" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.7, "KilocaloriesThermochemical"/"Moles"]|>, "7234" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.3, "KilocaloriesThermochemical"/"Moles"]|>, "7235" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.3, "KilocaloriesThermochemical"/"Moles"]|>, "7236" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.4, "KilocaloriesThermochemical"/"Moles"]|>, "7237" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14., "KilocaloriesThermochemical"/"Moles"]|>, "7238" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.3, "KilocaloriesThermochemical"/"Moles"]|>, "7239" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.9, "KilocaloriesThermochemical"/"Moles"]|>, "7240" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[23.8, "KilocaloriesThermochemical"/"Moles"]|>, "7241" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[24.2, "KilocaloriesThermochemical"/"Moles"]|>, "7242" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.2, "KilocaloriesThermochemical"/"Moles"]|>, "7243" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.5, "KilocaloriesThermochemical"/"Moles"]|>, "7244" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.7, "KilocaloriesThermochemical"/"Moles"]|>, "7245" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.4, "KilocaloriesThermochemical"/"Moles"]|>, "7246" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.5, "KilocaloriesThermochemical"/"Moles"]|>, "7247" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.7, "KilocaloriesThermochemical"/"Moles"]|>, "7248" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.5, "KilocaloriesThermochemical"/"Moles"]|>, "7249" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11., "KilocaloriesThermochemical"/"Moles"]|>, "7250" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13., "KilocaloriesThermochemical"/"Moles"]|>, "7251" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.2, "KilocaloriesThermochemical"/"Moles"]|>, "7252" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.7, "KilocaloriesThermochemical"/"Moles"]|>, "7253" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.6, "KilocaloriesThermochemical"/"Moles"]|>, "7254" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.4, "KilocaloriesThermochemical"/"Moles"]|>, "7255" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.8, "KilocaloriesThermochemical"/"Moles"]|>, "7256" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9., "KilocaloriesThermochemical"/"Moles"]|>, "7257" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.6, "KilocaloriesThermochemical"/"Moles"]|>, "7258" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.7, "KilocaloriesThermochemical"/"Moles"]|>, "7259" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.2, "KilocaloriesThermochemical"/"Moles"]|>, "7260" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.9, "KilocaloriesThermochemical"/"Moles"]|>, "7261" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.8, "KilocaloriesThermochemical"/"Moles"]|>, "7262" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.7, "KilocaloriesThermochemical"/"Moles"]|>, "7263" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.7, "KilocaloriesThermochemical"/"Moles"]|>, "7264" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.3, "KilocaloriesThermochemical"/"Moles"]|>, "7265" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.7, "KilocaloriesThermochemical"/"Moles"]|>, "7266" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.1, "KilocaloriesThermochemical"/"Moles"]|>, "7267" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.7, "KilocaloriesThermochemical"/"Moles"]|>, "7268" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.4, "KilocaloriesThermochemical"/"Moles"]|>, "7269" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.5, "KilocaloriesThermochemical"/"Moles"]|>, "7270" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.3, "KilocaloriesThermochemical"/"Moles"]|>, "7271" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.6, "KilocaloriesThermochemical"/"Moles"]|>, "7272" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.4, "KilocaloriesThermochemical"/"Moles"]|>, "7273" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.1, "KilocaloriesThermochemical"/"Moles"]|>, "7274" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8., "KilocaloriesThermochemical"/"Moles"]|>, "7275" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.3, "KilocaloriesThermochemical"/"Moles"]|>, "7276" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[19., "KilocaloriesThermochemical"/"Moles"]|>, "7277" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18.7, "KilocaloriesThermochemical"/"Moles"]|>, "7278" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.1, "KilocaloriesThermochemical"/"Moles"]|>, "7279" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[19.4, "KilocaloriesThermochemical"/"Moles"]|>, "7280" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18.8, "KilocaloriesThermochemical"/"Moles"]|>, "7281" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[20.9, "KilocaloriesThermochemical"/"Moles"]|>, "7282" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18., "KilocaloriesThermochemical"/"Moles"]|>, "7283" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[19.9, "KilocaloriesThermochemical"/"Moles"]|>, "7284" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[54.7, "KilocaloriesThermochemical"/"Moles"]|>, "7285" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.1, "KilocaloriesThermochemical"/"Moles"]|>, "7286" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.8, "KilocaloriesThermochemical"/"Moles"]|>, "7287" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.9, "KilocaloriesThermochemical"/"Moles"]|>, "7288" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11., "KilocaloriesThermochemical"/"Moles"]|>, "7289" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7290" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[25.1, "KilocaloriesThermochemical"/"Moles"]|>, "7291" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18.2, "KilocaloriesThermochemical"/"Moles"]|>, "7292" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.7, "KilocaloriesThermochemical"/"Moles"]|>, "7293" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.8, "KilocaloriesThermochemical"/"Moles"]|>, "7294" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.9, "KilocaloriesThermochemical"/"Moles"]|>, "7295" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9., "KilocaloriesThermochemical"/"Moles"]|>, "7296" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18.8, "KilocaloriesThermochemical"/"Moles"]|>, "7297" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.6, "KilocaloriesThermochemical"/"Moles"]|>, "7298" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.4, "KilocaloriesThermochemical"/"Moles"]|>, "7299" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.4, "KilocaloriesThermochemical"/"Moles"]|>, "7300" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.1, "KilocaloriesThermochemical"/"Moles"]|>, "7301" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[22.1, "KilocaloriesThermochemical"/"Moles"]|>, "7302" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.6, "KilocaloriesThermochemical"/"Moles"]|>, "7303" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "7304" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.1, "KilocaloriesThermochemical"/"Moles"]|>, "7305" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.5, "KilocaloriesThermochemical"/"Moles"]|>, "7306" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "7307" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.2, "KilocaloriesThermochemical"/"Moles"]|>, "7308" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.1, "KilocaloriesThermochemical"/"Moles"]|>, "7309" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6., "KilocaloriesThermochemical"/"Moles"]|>, "7310" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.1, "KilocaloriesThermochemical"/"Moles"]|>, "7311" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.7, "KilocaloriesThermochemical"/"Moles"]|>, "7312" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"]|>, "7313" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.2, "KilocaloriesThermochemical"/"Moles"]|>, "7314" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.4, "KilocaloriesThermochemical"/"Moles"]|>, "7315" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[34.4, "KilocaloriesThermochemical"/"Moles"]|>, "7316" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.8, "KilocaloriesThermochemical"/"Moles"]|>, "7317" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.1, "KilocaloriesThermochemical"/"Moles"]|>, "7318" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.2, "KilocaloriesThermochemical"/"Moles"]|>, "7319" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.7, "KilocaloriesThermochemical"/"Moles"]|>, "7320" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.3, "KilocaloriesThermochemical"/"Moles"]|>, "7321" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.6, "KilocaloriesThermochemical"/"Moles"]|>, "7322" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11., "KilocaloriesThermochemical"/"Moles"]|>, "7323" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.6, "KilocaloriesThermochemical"/"Moles"]|>, "7324" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.1, "KilocaloriesThermochemical"/"Moles"]|>, "7325" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.2, "KilocaloriesThermochemical"/"Moles"]|>, "7326" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.7, "KilocaloriesThermochemical"/"Moles"]|>, "7327" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.3, "KilocaloriesThermochemical"/"Moles"]|>, "7328" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.3, "KilocaloriesThermochemical"/"Moles"]|>, "7329" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.6, "KilocaloriesThermochemical"/"Moles"]|>, "7330" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.4, "KilocaloriesThermochemical"/"Moles"]|>, "7331" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.7, "KilocaloriesThermochemical"/"Moles"]|>, "7332" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.4, "KilocaloriesThermochemical"/"Moles"]|>, "7333" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[49.2, "KilocaloriesThermochemical"/"Moles"]|>, "7334" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.1, "KilocaloriesThermochemical"/"Moles"]|>, "7335" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.9, "KilocaloriesThermochemical"/"Moles"]|>, "7336" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.8, "KilocaloriesThermochemical"/"Moles"]|>, "7337" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.1, "KilocaloriesThermochemical"/"Moles"]|>, "7338" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.7, "KilocaloriesThermochemical"/"Moles"]|>, "7339" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"]|>, "7340" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.2, "KilocaloriesThermochemical"/"Moles"]|>, "7341" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.4, "KilocaloriesThermochemical"/"Moles"]|>, "7342" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.9, "KilocaloriesThermochemical"/"Moles"]|>, "7343" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.5, "KilocaloriesThermochemical"/"Moles"]|>, "7344" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.3, "KilocaloriesThermochemical"/"Moles"]|>, "7345" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.7, "KilocaloriesThermochemical"/"Moles"]|>, "7346" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.6, "KilocaloriesThermochemical"/"Moles"]|>, "7347" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.4, "KilocaloriesThermochemical"/"Moles"]|>, "7348" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.8, "KilocaloriesThermochemical"/"Moles"]|>, "7349" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.8, "KilocaloriesThermochemical"/"Moles"]|>, "7350" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.6, "KilocaloriesThermochemical"/"Moles"]|>, "7351" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5., "KilocaloriesThermochemical"/"Moles"]|>, "7352" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.9, "KilocaloriesThermochemical"/"Moles"]|>, "7353" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.7, "KilocaloriesThermochemical"/"Moles"]|>, "7354" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.8, "KilocaloriesThermochemical"/"Moles"]|>, "7355" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.5, "KilocaloriesThermochemical"/"Moles"]|>, "7356" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.4, "KilocaloriesThermochemical"/"Moles"]|>, "7357" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.1, "KilocaloriesThermochemical"/"Moles"]|>, "7358" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.9, "KilocaloriesThermochemical"/"Moles"]|>, "7359" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18.3, "KilocaloriesThermochemical"/"Moles"]|>, "7360" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.4, "KilocaloriesThermochemical"/"Moles"]|>, "7361" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.9, "KilocaloriesThermochemical"/"Moles"]|>, "7362" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.1, "KilocaloriesThermochemical"/"Moles"]|>, "7363" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.2, "KilocaloriesThermochemical"/"Moles"]|>, "7364" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.2, "KilocaloriesThermochemical"/"Moles"]|>, "7365" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.6, "KilocaloriesThermochemical"/"Moles"]|>, "7366" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.4, "KilocaloriesThermochemical"/"Moles"]|>, "7367" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.5, "KilocaloriesThermochemical"/"Moles"]|>, "7368" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.8, "KilocaloriesThermochemical"/"Moles"]|>, "7369" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.5, "KilocaloriesThermochemical"/"Moles"]|>, "7370" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.2, "KilocaloriesThermochemical"/"Moles"]|>, "7371" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[21.9, "KilocaloriesThermochemical"/"Moles"]|>, "7372" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.3, "KilocaloriesThermochemical"/"Moles"]|>, "7373" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.3, "KilocaloriesThermochemical"/"Moles"]|>, "7374" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.8, "KilocaloriesThermochemical"/"Moles"]|>, "7375" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.8, "KilocaloriesThermochemical"/"Moles"]|>, "7376" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.4, "KilocaloriesThermochemical"/"Moles"]|>, "7377" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.5, "KilocaloriesThermochemical"/"Moles"]|>, "7378" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.1, "KilocaloriesThermochemical"/"Moles"]|>, "7379" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.4, "KilocaloriesThermochemical"/"Moles"]|>, "7380" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.5, "KilocaloriesThermochemical"/"Moles"]|>, "7381" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7382" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7383" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"]|>, "7384" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"]|>, "7385" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.6, "KilocaloriesThermochemical"/"Moles"]|>, "7386" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[40.8, "KilocaloriesThermochemical"/"Moles"]|>, "7387" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[38.3, "KilocaloriesThermochemical"/"Moles"]|>, "7388" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[40.6, "KilocaloriesThermochemical"/"Moles"]|>, "7389" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[39.5, "KilocaloriesThermochemical"/"Moles"]|>, "7390" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[48.2, "KilocaloriesThermochemical"/"Moles"]|>, "7391" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[22.7, "KilocaloriesThermochemical"/"Moles"]|>, "7392" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[39.3, "KilocaloriesThermochemical"/"Moles"]|>, "7393" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[19.4, "KilocaloriesThermochemical"/"Moles"]|>, "7394" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[31., "KilocaloriesThermochemical"/"Moles"]|>, "7395" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[40.4, "KilocaloriesThermochemical"/"Moles"]|>, "7396" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[48.1, "KilocaloriesThermochemical"/"Moles"]|>, "7397" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[42.5, "KilocaloriesThermochemical"/"Moles"]|>, "7398" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[37.5, "KilocaloriesThermochemical"/"Moles"]|>, "7399" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[35.9, "KilocaloriesThermochemical"/"Moles"]|>, "7400" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[31.4, "KilocaloriesThermochemical"/"Moles"]|>, "7401" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[41.6, "KilocaloriesThermochemical"/"Moles"]|>, "7402" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[33.8, "KilocaloriesThermochemical"/"Moles"]|>, "7403" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[38., "KilocaloriesThermochemical"/"Moles"]|>, "7404" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[37., "KilocaloriesThermochemical"/"Moles"]|>, "7405" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[34.8, "KilocaloriesThermochemical"/"Moles"]|>, "7406" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[39.3, "KilocaloriesThermochemical"/"Moles"]|>, "7407" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "7408" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.3, "KilocaloriesThermochemical"/"Moles"]|>, "7409" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.6, "KilocaloriesThermochemical"/"Moles"]|>, "7410" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.1, "KilocaloriesThermochemical"/"Moles"]|>, "7411" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[23., "KilocaloriesThermochemical"/"Moles"]|>, "7412" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[32.7, "KilocaloriesThermochemical"/"Moles"]|>, "7413" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18.5, "KilocaloriesThermochemical"/"Moles"]|>, "7414" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[25.9, "KilocaloriesThermochemical"/"Moles"]|>, "7415" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[93.5, "KilocaloriesThermochemical"/"Moles"]|>, "7416" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[23.3, "KilocaloriesThermochemical"/"Moles"]|>, "7417" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[22.4, "KilocaloriesThermochemical"/"Moles"]|>, "7418" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[22.6, "KilocaloriesThermochemical"/"Moles"]|>, "7419" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.9, "KilocaloriesThermochemical"/"Moles"]|>, "7420" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[29.5, "KilocaloriesThermochemical"/"Moles"]|>, "7421" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[42.9, "KilocaloriesThermochemical"/"Moles"]|>, "7422" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[19.7, "KilocaloriesThermochemical"/"Moles"]|>, "7423" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.9, "KilocaloriesThermochemical"/"Moles"]|>, "7424" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[26.3, "KilocaloriesThermochemical"/"Moles"]|>, "7425" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.2, "KilocaloriesThermochemical"/"Moles"]|>, "7426" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18.2, "KilocaloriesThermochemical"/"Moles"]|>, "7427" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.1, "KilocaloriesThermochemical"/"Moles"]|>, "7428" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.4, "KilocaloriesThermochemical"/"Moles"]|>, "7429" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.5, "KilocaloriesThermochemical"/"Moles"]|>, "7430" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.8, "KilocaloriesThermochemical"/"Moles"]|>, "7431" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.8, "KilocaloriesThermochemical"/"Moles"]|>, "7432" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.8, "KilocaloriesThermochemical"/"Moles"]|>, "7433" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.5, "KilocaloriesThermochemical"/"Moles"]|>, "7434" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.3, "KilocaloriesThermochemical"/"Moles"]|>, "7435" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.4, "KilocaloriesThermochemical"/"Moles"]|>, "7436" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.8, "KilocaloriesThermochemical"/"Moles"]|>, "7437" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18.6, "KilocaloriesThermochemical"/"Moles"]|>, "7438" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.7, "KilocaloriesThermochemical"/"Moles"]|>, "7439" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[54.7, "KilocaloriesThermochemical"/"Moles"]|>, "7440" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.4, "KilocaloriesThermochemical"/"Moles"]|>, "7441" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.2, "KilocaloriesThermochemical"/"Moles"]|>, "7442" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13., "KilocaloriesThermochemical"/"Moles"]|>, "7443" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.3, "KilocaloriesThermochemical"/"Moles"]|>, "7444" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.1, "KilocaloriesThermochemical"/"Moles"]|>, "7445" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13., "KilocaloriesThermochemical"/"Moles"]|>, "7446" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.8, "KilocaloriesThermochemical"/"Moles"]|>, "7447" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.6, "KilocaloriesThermochemical"/"Moles"]|>, "7448" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.7, "KilocaloriesThermochemical"/"Moles"]|>, "7449" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"]|>, "7450" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "7451" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"]|>, "7452" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"]|>, "7453" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.9, "KilocaloriesThermochemical"/"Moles"]|>, "7454" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[48.8, "KilocaloriesThermochemical"/"Moles"]|>, "7455" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[52.4, "KilocaloriesThermochemical"/"Moles"]|>, "7456" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.7, "KilocaloriesThermochemical"/"Moles"]|>, "7457" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.5, "KilocaloriesThermochemical"/"Moles"]|>, "7458" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[19.2, "KilocaloriesThermochemical"/"Moles"]|>, "7459" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.1, "KilocaloriesThermochemical"/"Moles"]|>, "7460" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.8, "KilocaloriesThermochemical"/"Moles"]|>, "7461" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[19.2, "KilocaloriesThermochemical"/"Moles"]|>, "7462" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18.1, "KilocaloriesThermochemical"/"Moles"]|>, "7463" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.1, "KilocaloriesThermochemical"/"Moles"]|>, "7464" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.6, "KilocaloriesThermochemical"/"Moles"]|>, "7465" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.4, "KilocaloriesThermochemical"/"Moles"]|>, "7466" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.1, "KilocaloriesThermochemical"/"Moles"]|>, "7467" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[23.5, "KilocaloriesThermochemical"/"Moles"]|>, "7468" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.9, "KilocaloriesThermochemical"/"Moles"]|>, "7469" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.6, "KilocaloriesThermochemical"/"Moles"]|>, "7470" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.4, "KilocaloriesThermochemical"/"Moles"]|>, "7471" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.2, "KilocaloriesThermochemical"/"Moles"]|>, "7472" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.6, "KilocaloriesThermochemical"/"Moles"]|>, "7473" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14., "KilocaloriesThermochemical"/"Moles"]|>, "7474" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.9, "KilocaloriesThermochemical"/"Moles"]|>, "7475" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.8, "KilocaloriesThermochemical"/"Moles"]|>, "7476" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.6, "KilocaloriesThermochemical"/"Moles"]|>, "7477" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.3, "KilocaloriesThermochemical"/"Moles"]|>, "7478" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.5, "KilocaloriesThermochemical"/"Moles"]|>, "7479" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3., "KilocaloriesThermochemical"/"Moles"]|>, "7480" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> 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<|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[61.8, "KilocaloriesThermochemical"/"Moles"]|>, "7487" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[57.1, "KilocaloriesThermochemical"/"Moles"]|>, "7488" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[53.1, "KilocaloriesThermochemical"/"Moles"]|>, "7489" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[59.1, "KilocaloriesThermochemical"/"Moles"]|>, "7490" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[56.6, "KilocaloriesThermochemical"/"Moles"]|>, "7491" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.7, "KilocaloriesThermochemical"/"Moles"]|>, "7492" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.9, "KilocaloriesThermochemical"/"Moles"]|>, "7493" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.4, "KilocaloriesThermochemical"/"Moles"]|>, "7494" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[35.9, "KilocaloriesThermochemical"/"Moles"]|>, "7495" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[20., "KilocaloriesThermochemical"/"Moles"]|>, "7496" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.6, "KilocaloriesThermochemical"/"Moles"]|>, "7497" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.4, "KilocaloriesThermochemical"/"Moles"]|>, "7498" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13., "KilocaloriesThermochemical"/"Moles"]|>, "7499" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[19.2, "KilocaloriesThermochemical"/"Moles"]|>, "7500" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7501" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7502" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7503" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7504" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7505" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7506" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7507" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7508" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7509" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7510" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7511" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7512" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7513" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7514" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7515" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7516" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7517" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7518" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[21.1, "KilocaloriesThermochemical"/"Moles"]|>, "7519" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[23.9, "KilocaloriesThermochemical"/"Moles"]|>, "7520" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[19.3, "KilocaloriesThermochemical"/"Moles"]|>, "7521" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[22.2, "KilocaloriesThermochemical"/"Moles"]|>, "7522" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[22.2, "KilocaloriesThermochemical"/"Moles"]|>, "7523" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[21., "KilocaloriesThermochemical"/"Moles"]|>, "7524" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[19.9, "KilocaloriesThermochemical"/"Moles"]|>, "7525" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.9, "KilocaloriesThermochemical"/"Moles"]|>, "7526" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18., "KilocaloriesThermochemical"/"Moles"]|>, "7527" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[22.5, "KilocaloriesThermochemical"/"Moles"]|>, "7528" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[20.1, "KilocaloriesThermochemical"/"Moles"]|>, "7529" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.3, "KilocaloriesThermochemical"/"Moles"]|>, "7530" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[23.4, "KilocaloriesThermochemical"/"Moles"]|>, "7531" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[22.8, "KilocaloriesThermochemical"/"Moles"]|>, "7532" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.9, "KilocaloriesThermochemical"/"Moles"]|>, "7533" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[21.8, "KilocaloriesThermochemical"/"Moles"]|>, "7534" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7535" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7536" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7537" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7538" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7539" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7540" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7541" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7542" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.2, "KilocaloriesThermochemical"/"Moles"]|>, "7543" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.7, "KilocaloriesThermochemical"/"Moles"]|>, "7544" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.2, "KilocaloriesThermochemical"/"Moles"]|>, "7545" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.1, "KilocaloriesThermochemical"/"Moles"]|>, "7546" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.4, "KilocaloriesThermochemical"/"Moles"]|>, "7547" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.9, "KilocaloriesThermochemical"/"Moles"]|>, "7548" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[30.6, "KilocaloriesThermochemical"/"Moles"]|>, "7549" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[43.5, "KilocaloriesThermochemical"/"Moles"]|>, "7550" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.8, "KilocaloriesThermochemical"/"Moles"]|>, "7551" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[22., "KilocaloriesThermochemical"/"Moles"]|>, "7552" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "7553" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.7, "KilocaloriesThermochemical"/"Moles"]|>, "7554" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.4, "KilocaloriesThermochemical"/"Moles"]|>, "7555" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[77.6, "KilocaloriesThermochemical"/"Moles"]|>, "7556" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[61.5, "KilocaloriesThermochemical"/"Moles"]|>, "7557" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.1, "KilocaloriesThermochemical"/"Moles"]|>, "7558" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.9, "KilocaloriesThermochemical"/"Moles"]|>, "7559" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.9, "KilocaloriesThermochemical"/"Moles"]|>, "7560" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.1, "KilocaloriesThermochemical"/"Moles"]|>, "7561" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3., "KilocaloriesThermochemical"/"Moles"]|>, "7562" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.5, "KilocaloriesThermochemical"/"Moles"]|>, "7563" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6., "KilocaloriesThermochemical"/"Moles"]|>, "7564" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.9, "KilocaloriesThermochemical"/"Moles"]|>, "7565" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.6, "KilocaloriesThermochemical"/"Moles"]|>, "7566" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.1, "KilocaloriesThermochemical"/"Moles"]|>, "7567" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.6, "KilocaloriesThermochemical"/"Moles"]|>, "7568" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.5, "KilocaloriesThermochemical"/"Moles"]|>, "7569" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.1, "KilocaloriesThermochemical"/"Moles"]|>, "7570" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.2, "KilocaloriesThermochemical"/"Moles"]|>, "7571" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.9, "KilocaloriesThermochemical"/"Moles"]|>, "7572" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.8, "KilocaloriesThermochemical"/"Moles"]|>, "7573" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.1, "KilocaloriesThermochemical"/"Moles"]|>, "7574" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.7, "KilocaloriesThermochemical"/"Moles"]|>, "7575" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.4, "KilocaloriesThermochemical"/"Moles"]|>, "7576" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13., "KilocaloriesThermochemical"/"Moles"]|>, "7577" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[21.4, "KilocaloriesThermochemical"/"Moles"]|>, "7578" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[24.3, "KilocaloriesThermochemical"/"Moles"]|>, "7579" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.8, "KilocaloriesThermochemical"/"Moles"]|>, "7580" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[23.5, "KilocaloriesThermochemical"/"Moles"]|>, "7581" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[19.9, "KilocaloriesThermochemical"/"Moles"]|>, "7582" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18.4, "KilocaloriesThermochemical"/"Moles"]|>, "7583" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.8, "KilocaloriesThermochemical"/"Moles"]|>, "7584" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.2, "KilocaloriesThermochemical"/"Moles"]|>, "7585" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.6, "KilocaloriesThermochemical"/"Moles"]|>, "7586" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.6, "KilocaloriesThermochemical"/"Moles"]|>, "7587" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[24.4, "KilocaloriesThermochemical"/"Moles"]|>, "7588" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.4, "KilocaloriesThermochemical"/"Moles"]|>, "7589" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18., "KilocaloriesThermochemical"/"Moles"]|>, "7590" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[22.7, "KilocaloriesThermochemical"/"Moles"]|>, "7591" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17., "KilocaloriesThermochemical"/"Moles"]|>, "7592" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.2, "KilocaloriesThermochemical"/"Moles"]|>, "7593" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.9, "KilocaloriesThermochemical"/"Moles"]|>, "7594" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.3, "KilocaloriesThermochemical"/"Moles"]|>, "7595" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.7, "KilocaloriesThermochemical"/"Moles"]|>, "7596" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.4, "KilocaloriesThermochemical"/"Moles"]|>, "7597" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.5, "KilocaloriesThermochemical"/"Moles"]|>, "7598" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3., "KilocaloriesThermochemical"/"Moles"]|>, "7599" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.3, "KilocaloriesThermochemical"/"Moles"]|>, "7600" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.3, "KilocaloriesThermochemical"/"Moles"]|>, "7601" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.6, "KilocaloriesThermochemical"/"Moles"]|>, "7602" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.7, "KilocaloriesThermochemical"/"Moles"]|>, "7603" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.3, "KilocaloriesThermochemical"/"Moles"]|>, "7604" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.6, "KilocaloriesThermochemical"/"Moles"]|>, "7605" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.4, "KilocaloriesThermochemical"/"Moles"]|>, "7606" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.8, "KilocaloriesThermochemical"/"Moles"]|>, "7607" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.8, "KilocaloriesThermochemical"/"Moles"]|>, "7608" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.5, "KilocaloriesThermochemical"/"Moles"]|>, "7609" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.1, "KilocaloriesThermochemical"/"Moles"]|>, "7610" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.3, "KilocaloriesThermochemical"/"Moles"]|>, "7611" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.9, "KilocaloriesThermochemical"/"Moles"]|>, "7612" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[23.3, "KilocaloriesThermochemical"/"Moles"]|>, "7613" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[25., "KilocaloriesThermochemical"/"Moles"]|>, "7614" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[63.8, "KilocaloriesThermochemical"/"Moles"]|>, "7615" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[51.1, "KilocaloriesThermochemical"/"Moles"]|>, "7616" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[60.5, "KilocaloriesThermochemical"/"Moles"]|>, "7617" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[55.4, "KilocaloriesThermochemical"/"Moles"]|>, "7618" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[81.6, "KilocaloriesThermochemical"/"Moles"]|>, "7619" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[65.7, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "49888703 ", <|"URL" -> "http://zinc15.docking.org/substances/ZINC49888703 "|>]|>, "7620" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[82.7, "KilocaloriesThermochemical"/"Moles"]|>, "7621" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[58.3, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "49888703 ", <|"URL" -> "http://zinc15.docking.org/substances/ZINC49888703 "|>]|>, "7622" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[100.7, "KilocaloriesThermochemical"/"Moles"]|>, "7623" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.5, "KilocaloriesThermochemical"/"Moles"]|>, "7624" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.4, "KilocaloriesThermochemical"/"Moles"]|>, "7625" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[61.6, "KilocaloriesThermochemical"/"Moles"]|>, "7626" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[60.6, "KilocaloriesThermochemical"/"Moles"]|>, "7627" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[67.3, "KilocaloriesThermochemical"/"Moles"]|>, "7628" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7629" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7630" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7631" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"]|>, "7632" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.9, "KilocaloriesThermochemical"/"Moles"]|>, "7633" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.8, "KilocaloriesThermochemical"/"Moles"]|>, "7634" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.3, "KilocaloriesThermochemical"/"Moles"]|>, "7635" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.6, "KilocaloriesThermochemical"/"Moles"]|>, "7636" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.5, "KilocaloriesThermochemical"/"Moles"]|>, "7637" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.8, "KilocaloriesThermochemical"/"Moles"]|>, "7638" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1., "KilocaloriesThermochemical"/"Moles"]|>, "7639" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "7640" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.3, "KilocaloriesThermochemical"/"Moles"]|>, "7641" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.8, "KilocaloriesThermochemical"/"Moles"]|>, "7642" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.1, "KilocaloriesThermochemical"/"Moles"]|>, "7643" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.1, "KilocaloriesThermochemical"/"Moles"]|>, "7644" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.4, "KilocaloriesThermochemical"/"Moles"]|>, "7645" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.5, "KilocaloriesThermochemical"/"Moles"]|>, "7646" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1., "KilocaloriesThermochemical"/"Moles"]|>, "7647" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.6, "KilocaloriesThermochemical"/"Moles"]|>, "7648" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.7, "KilocaloriesThermochemical"/"Moles"]|>, "7649" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.1, "KilocaloriesThermochemical"/"Moles"]|>, "7650" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.2, "KilocaloriesThermochemical"/"Moles"]|>, "7651" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"]|>, "7652" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.5, "KilocaloriesThermochemical"/"Moles"]|>, "7653" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1., "KilocaloriesThermochemical"/"Moles"]|>, "7654" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.8, "KilocaloriesThermochemical"/"Moles"]|>, "7655" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.1, "KilocaloriesThermochemical"/"Moles"]|>, "7656" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.3, "KilocaloriesThermochemical"/"Moles"]|>, "7657" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[22., "KilocaloriesThermochemical"/"Moles"]|>, "7658" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.8, "KilocaloriesThermochemical"/"Moles"]|>, "7659" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[27.2, "KilocaloriesThermochemical"/"Moles"]|>, "7660" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[23.9, "KilocaloriesThermochemical"/"Moles"]|>, "7661" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[23.2, "KilocaloriesThermochemical"/"Moles"]|>, "7662" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.5, "KilocaloriesThermochemical"/"Moles"]|>, "7663" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.8, "KilocaloriesThermochemical"/"Moles"]|>, "7664" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.5, "KilocaloriesThermochemical"/"Moles"]|>, "7665" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.4, "KilocaloriesThermochemical"/"Moles"]|>, "7666" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.5, "KilocaloriesThermochemical"/"Moles"]|>, "7667" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.5, "KilocaloriesThermochemical"/"Moles"]|>, "7668" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.6, "KilocaloriesThermochemical"/"Moles"]|>, "7669" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.1, "KilocaloriesThermochemical"/"Moles"]|>, "7670" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.4, "KilocaloriesThermochemical"/"Moles"]|>, "7671" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14., "KilocaloriesThermochemical"/"Moles"]|>, "7672" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.3, "KilocaloriesThermochemical"/"Moles"]|>, "7673" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.2, "KilocaloriesThermochemical"/"Moles"]|>, "7674" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[59., "KilocaloriesThermochemical"/"Moles"]|>, "7675" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[42.1, "KilocaloriesThermochemical"/"Moles"]|>, "7676" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[54.6, "KilocaloriesThermochemical"/"Moles"]|>, "7677" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[55.6, "KilocaloriesThermochemical"/"Moles"]|>, "7678" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[62.1, "KilocaloriesThermochemical"/"Moles"]|>, "7679" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[52.2, "KilocaloriesThermochemical"/"Moles"]|>, "7680" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[57.5, "KilocaloriesThermochemical"/"Moles"]|>, "7681" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[45., "KilocaloriesThermochemical"/"Moles"]|>, "7682" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[54.3, "KilocaloriesThermochemical"/"Moles"]|>, "7683" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[55.8, "KilocaloriesThermochemical"/"Moles"]|>, "7684" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[51.6, "KilocaloriesThermochemical"/"Moles"]|>, "7685" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[32., "KilocaloriesThermochemical"/"Moles"]|>, "7686" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[67.4, "KilocaloriesThermochemical"/"Moles"]|>, "7687" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[54.5, "KilocaloriesThermochemical"/"Moles"]|>, "7688" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[59., "KilocaloriesThermochemical"/"Moles"]|>, "7689" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[47.2, "KilocaloriesThermochemical"/"Moles"]|>, "7690" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[72.3, "KilocaloriesThermochemical"/"Moles"]|>, "7691" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[79., "KilocaloriesThermochemical"/"Moles"]|>, "7692" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[55.4, "KilocaloriesThermochemical"/"Moles"]|>, "7693" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[75.6, "KilocaloriesThermochemical"/"Moles"]|>, "7694" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[88.8, "KilocaloriesThermochemical"/"Moles"]|>, "7695" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[53.6, "KilocaloriesThermochemical"/"Moles"]|>, "7696" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[80.7, "KilocaloriesThermochemical"/"Moles"]|>, "7697" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[83.2, "KilocaloriesThermochemical"/"Moles"]|>, "7698" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[89.6, "KilocaloriesThermochemical"/"Moles"]|>, "7699" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[61.3, "KilocaloriesThermochemical"/"Moles"]|>, "7700" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[82.7, "KilocaloriesThermochemical"/"Moles"]|>, "7701" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[87.8, "KilocaloriesThermochemical"/"Moles"]|>, "7702" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[81.7, "KilocaloriesThermochemical"/"Moles"]|>, "7703" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[92.1, "KilocaloriesThermochemical"/"Moles"]|>, "7704" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[68.6, "KilocaloriesThermochemical"/"Moles"]|>, "7705" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[55.9, "KilocaloriesThermochemical"/"Moles"]|>, "7706" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[65.8, "KilocaloriesThermochemical"/"Moles"]|>, "7707" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[60.9, "KilocaloriesThermochemical"/"Moles"]|>, "7708" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[64.1, "KilocaloriesThermochemical"/"Moles"]|>, "7709" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[50.1, "KilocaloriesThermochemical"/"Moles"]|>, "7710" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[62.6, "KilocaloriesThermochemical"/"Moles"]|>, "7711" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[57.3, "KilocaloriesThermochemical"/"Moles"]|>, "7712" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[58.1, "KilocaloriesThermochemical"/"Moles"]|>, "7713" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[55.1, "KilocaloriesThermochemical"/"Moles"]|>, "7714" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[83.8, "KilocaloriesThermochemical"/"Moles"]|>, "7715" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[66.9, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "30726863 ", <|"URL" -> "http://zinc15.docking.org/substances/ZINC30726863 "|>]|>, "7716" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[85., "KilocaloriesThermochemical"/"Moles"]|>, "7717" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[58.2, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "30726863 ", <|"URL" -> "http://zinc15.docking.org/substances/ZINC30726863 "|>]|>, "7718" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[72.2, "KilocaloriesThermochemical"/"Moles"]|>, "7719" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[77.9, "KilocaloriesThermochemical"/"Moles"]|>, "7720" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1., "KilocaloriesThermochemical"/"Moles"]|>, "7721" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.8, "KilocaloriesThermochemical"/"Moles"]|>, "7722" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.8, "KilocaloriesThermochemical"/"Moles"]|>, "7723" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.6, "KilocaloriesThermochemical"/"Moles"]|>, "7724" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.2, "KilocaloriesThermochemical"/"Moles"]|>, "7725" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.3, "KilocaloriesThermochemical"/"Moles"]|>, "7726" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[72.1, "KilocaloriesThermochemical"/"Moles"]|>, "7727" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[71.8, "KilocaloriesThermochemical"/"Moles"]|>, "7728" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[74.2, "KilocaloriesThermochemical"/"Moles"]|>, "7729" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[74.2, "KilocaloriesThermochemical"/"Moles"]|>, "7730" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[75.9, "KilocaloriesThermochemical"/"Moles"]|>, "7731" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[68.9, "KilocaloriesThermochemical"/"Moles"]|>, "7732" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[76.1, "KilocaloriesThermochemical"/"Moles"]|>, "7733" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[56., "KilocaloriesThermochemical"/"Moles"]|>, "7734" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[76.2, "KilocaloriesThermochemical"/"Moles"]|>, "7735" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[70.1, "KilocaloriesThermochemical"/"Moles"]|>, "7736" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[76.8, "KilocaloriesThermochemical"/"Moles"]|>, "7737" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[57.2, "KilocaloriesThermochemical"/"Moles"]|>, "7738" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[55.9, "KilocaloriesThermochemical"/"Moles"]|>, "7739" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[54.2, "KilocaloriesThermochemical"/"Moles"]|>, "7740" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[70.8, "KilocaloriesThermochemical"/"Moles"]|>, "7741" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[58.9, "KilocaloriesThermochemical"/"Moles"]|>, "7742" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[58.6, "KilocaloriesThermochemical"/"Moles"]|>, "7743" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[52., "KilocaloriesThermochemical"/"Moles"]|>, "7744" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[63.1, "KilocaloriesThermochemical"/"Moles"]|>, "7745" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[55.1, "KilocaloriesThermochemical"/"Moles"]|>, "7746" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[48.7, "KilocaloriesThermochemical"/"Moles"]|>, "7747" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[47.5, "KilocaloriesThermochemical"/"Moles"]|>, "7748" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[54.5, "KilocaloriesThermochemical"/"Moles"]|>, "7749" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[49.8, "KilocaloriesThermochemical"/"Moles"]|>, "7750" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[45.8, "KilocaloriesThermochemical"/"Moles"]|>, "7751" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[44.8, "KilocaloriesThermochemical"/"Moles"]|>, "7752" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[61.4, "KilocaloriesThermochemical"/"Moles"]|>, "7753" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[52.7, "KilocaloriesThermochemical"/"Moles"]|>, "7754" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[70.7, "KilocaloriesThermochemical"/"Moles"]|>, "7755" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[69.6, "KilocaloriesThermochemical"/"Moles"]|>, "7756" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[67.3, "KilocaloriesThermochemical"/"Moles"]|>, "7757" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[57.8, "KilocaloriesThermochemical"/"Moles"]|>, "7758" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[60.7, "KilocaloriesThermochemical"/"Moles"]|>, "7759" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[67.7, "KilocaloriesThermochemical"/"Moles"]|>, "7760" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[68.4, "KilocaloriesThermochemical"/"Moles"]|>, "7761" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[58.6, "KilocaloriesThermochemical"/"Moles"]|>, "7762" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[63.7, "KilocaloriesThermochemical"/"Moles"]|>, "7763" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[55.5, "KilocaloriesThermochemical"/"Moles"]|>, "7764" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[52.6, "KilocaloriesThermochemical"/"Moles"]|>, "7765" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[51.4, "KilocaloriesThermochemical"/"Moles"]|>, "7766" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[61.2, "KilocaloriesThermochemical"/"Moles"]|>, "7767" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[51.7, "KilocaloriesThermochemical"/"Moles"]|>, "7768" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[32.3, "KilocaloriesThermochemical"/"Moles"]|>, "7769" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.7, "KilocaloriesThermochemical"/"Moles"]|>, "7770" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.1, "KilocaloriesThermochemical"/"Moles"]|>, "7771" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.1, "KilocaloriesThermochemical"/"Moles"]|>, "7772" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[92., "KilocaloriesThermochemical"/"Moles"]|>, "7773" -> <|"IsolatedSProteinVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[87.8, "KilocaloriesThermochemical"/"Moles"]|>, "7774" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[95.7, "KilocaloriesThermochemical"/"Moles"]|>, "7775" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[97.8, "KilocaloriesThermochemical"/"Moles"]|>, "7776" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[94.9, "KilocaloriesThermochemical"/"Moles"]|>, "7777" -> <|"IsolatedSProteinVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[86.1, "KilocaloriesThermochemical"/"Moles"]|>, "7778" -> <|"IsolatedSProteinVinaScore" -> Quantity[-1.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[85., "KilocaloriesThermochemical"/"Moles"]|>, "7779" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[96.9, "KilocaloriesThermochemical"/"Moles"]|>, "7780" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[81.6, "KilocaloriesThermochemical"/"Moles"]|>, "7781" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[89.8, "KilocaloriesThermochemical"/"Moles"]|>, "7782" -> <|"IsolatedSProteinVinaScore" -> Quantity[-1.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[95.7, "KilocaloriesThermochemical"/"Moles"]|>, "7783" -> <|"IsolatedSProteinVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[92.5, "KilocaloriesThermochemical"/"Moles"]|>, "7784" -> <|"IsolatedSProteinVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[82.7, "KilocaloriesThermochemical"/"Moles"]|>, "7785" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[102., "KilocaloriesThermochemical"/"Moles"]|>, "7786" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[81.2, "KilocaloriesThermochemical"/"Moles"]|>, "7787" -> <|"IsolatedSProteinVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[109., "KilocaloriesThermochemical"/"Moles"]|>, "7788" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.1, "KilocaloriesThermochemical"/"Moles"]|>, "7789" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.2, "KilocaloriesThermochemical"/"Moles"]|>, "7790" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.5, "KilocaloriesThermochemical"/"Moles"]|>, "7791" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.8, "KilocaloriesThermochemical"/"Moles"]|>, "7792" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13., "KilocaloriesThermochemical"/"Moles"]|>, "7793" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[24.4, "KilocaloriesThermochemical"/"Moles"]|>, "7794" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[19.6, "KilocaloriesThermochemical"/"Moles"]|>, "7795" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[20.3, "KilocaloriesThermochemical"/"Moles"]|>, "7796" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18.5, "KilocaloriesThermochemical"/"Moles"]|>, "7797" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[21.5, "KilocaloriesThermochemical"/"Moles"]|>, "7798" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.7, "KilocaloriesThermochemical"/"Moles"]|>, "7799" -> <|"IsolatedSProteinVinaScore" -> Quantity[-6.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[24.6, "KilocaloriesThermochemical"/"Moles"], "ZincID" -> ExternalIdentifier["ZINCID", "3995616 ", <|"URL" -> "http://zinc15.docking.org/substances/ZINC3995616 "|>]|>, "7800" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.5, "KilocaloriesThermochemical"/"Moles"]|>, "7801" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.3, "KilocaloriesThermochemical"/"Moles"]|>, "7802" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11., "KilocaloriesThermochemical"/"Moles"]|>, "7803" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.4, "KilocaloriesThermochemical"/"Moles"]|>, "7804" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10., "KilocaloriesThermochemical"/"Moles"]|>, "7805" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.5, "KilocaloriesThermochemical"/"Moles"]|>, "7806" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.7, "KilocaloriesThermochemical"/"Moles"]|>, "7807" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.4, "KilocaloriesThermochemical"/"Moles"]|>, "7808" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.9, "KilocaloriesThermochemical"/"Moles"]|>, "7809" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.4, "KilocaloriesThermochemical"/"Moles"]|>, "7810" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.5, "KilocaloriesThermochemical"/"Moles"]|>, "7811" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.9, "KilocaloriesThermochemical"/"Moles"]|>, "7812" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.7, "KilocaloriesThermochemical"/"Moles"]|>, "7813" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.4, "KilocaloriesThermochemical"/"Moles"]|>, "7814" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8., "KilocaloriesThermochemical"/"Moles"]|>, "7815" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.7, "KilocaloriesThermochemical"/"Moles"]|>, "7816" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.1, "KilocaloriesThermochemical"/"Moles"]|>, "7817" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.3, "KilocaloriesThermochemical"/"Moles"]|>, "7818" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"]|>, "7819" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "7820" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.8, "KilocaloriesThermochemical"/"Moles"]|>, "7821" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.4, "KilocaloriesThermochemical"/"Moles"]|>, "7822" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.6, "KilocaloriesThermochemical"/"Moles"]|>, "7823" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11., "KilocaloriesThermochemical"/"Moles"]|>, "7824" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[73.7, "KilocaloriesThermochemical"/"Moles"]|>, "7825" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.7, "KilocaloriesThermochemical"/"Moles"]|>, "7826" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.1, "KilocaloriesThermochemical"/"Moles"]|>, "7827" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.9, "KilocaloriesThermochemical"/"Moles"]|>, "7828" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.3, "KilocaloriesThermochemical"/"Moles"]|>, "7829" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.2, "KilocaloriesThermochemical"/"Moles"]|>, "7830" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[27.2, "KilocaloriesThermochemical"/"Moles"]|>, "7831" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[23.9, "KilocaloriesThermochemical"/"Moles"]|>, "7832" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[20.8, "KilocaloriesThermochemical"/"Moles"]|>, "7833" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[21.1, "KilocaloriesThermochemical"/"Moles"]|>, "7834" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.7, "KilocaloriesThermochemical"/"Moles"]|>, "7835" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[19.2, "KilocaloriesThermochemical"/"Moles"]|>, "7836" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[19.5, "KilocaloriesThermochemical"/"Moles"]|>, "7837" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[23.5, "KilocaloriesThermochemical"/"Moles"]|>, "7838" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.1, "KilocaloriesThermochemical"/"Moles"]|>, "7839" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[34.3, "KilocaloriesThermochemical"/"Moles"]|>, "7840" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[20.6, "KilocaloriesThermochemical"/"Moles"]|>, "7841" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.1, "KilocaloriesThermochemical"/"Moles"]|>, "7842" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[28.6, "KilocaloriesThermochemical"/"Moles"]|>, "7843" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[27.7, "KilocaloriesThermochemical"/"Moles"]|>, "7844" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[22.9, "KilocaloriesThermochemical"/"Moles"]|>, "7845" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3., "KilocaloriesThermochemical"/"Moles"]|>, "7846" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.4, "KilocaloriesThermochemical"/"Moles"]|>, "7847" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.7, "KilocaloriesThermochemical"/"Moles"]|>, "7848" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[22., "KilocaloriesThermochemical"/"Moles"]|>, "7849" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[21.4, "KilocaloriesThermochemical"/"Moles"]|>, "7850" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.7, "KilocaloriesThermochemical"/"Moles"]|>, "7851" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[22.9, "KilocaloriesThermochemical"/"Moles"]|>, "7852" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.9, "KilocaloriesThermochemical"/"Moles"]|>, "7853" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.6, "KilocaloriesThermochemical"/"Moles"]|>, "7854" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.2, "KilocaloriesThermochemical"/"Moles"]|>, "7855" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.5, "KilocaloriesThermochemical"/"Moles"]|>, "7856" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.4, "KilocaloriesThermochemical"/"Moles"]|>, "7857" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.2, "KilocaloriesThermochemical"/"Moles"]|>, "7858" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8., "KilocaloriesThermochemical"/"Moles"]|>, "7859" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.2, "KilocaloriesThermochemical"/"Moles"]|>, "7860" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.6, "KilocaloriesThermochemical"/"Moles"]|>, "7861" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.7, "KilocaloriesThermochemical"/"Moles"]|>, "7862" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"]|>, "7863" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.7, "KilocaloriesThermochemical"/"Moles"]|>, "7864" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[89.2, "KilocaloriesThermochemical"/"Moles"]|>, "7865" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[81.6, "KilocaloriesThermochemical"/"Moles"]|>, "7866" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[74.3, "KilocaloriesThermochemical"/"Moles"]|>, "7867" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[71.4, "KilocaloriesThermochemical"/"Moles"]|>, "7868" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[85.2, "KilocaloriesThermochemical"/"Moles"]|>, "7869" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[84., "KilocaloriesThermochemical"/"Moles"]|>, "7870" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[81.5, "KilocaloriesThermochemical"/"Moles"]|>, "7871" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[71.2, "KilocaloriesThermochemical"/"Moles"]|>, "7872" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[71.1, "KilocaloriesThermochemical"/"Moles"]|>, "7873" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[71.6, "KilocaloriesThermochemical"/"Moles"]|>, "7874" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[81.3, "KilocaloriesThermochemical"/"Moles"]|>, "7875" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[79.9, "KilocaloriesThermochemical"/"Moles"]|>, "7876" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[38.2, "KilocaloriesThermochemical"/"Moles"]|>, "7877" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.1, "KilocaloriesThermochemical"/"Moles"]|>, "7878" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.6, "KilocaloriesThermochemical"/"Moles"]|>, "7879" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.3, "KilocaloriesThermochemical"/"Moles"]|>, "7880" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.8, "KilocaloriesThermochemical"/"Moles"]|>, "7881" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10., "KilocaloriesThermochemical"/"Moles"]|>, "7882" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.3, "KilocaloriesThermochemical"/"Moles"]|>, "7883" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.1, "KilocaloriesThermochemical"/"Moles"]|>, "7884" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.9, "KilocaloriesThermochemical"/"Moles"]|>, "7885" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.7, "KilocaloriesThermochemical"/"Moles"]|>, "7886" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.4, "KilocaloriesThermochemical"/"Moles"]|>, "7887" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.1, "KilocaloriesThermochemical"/"Moles"]|>, "7888" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.7, "KilocaloriesThermochemical"/"Moles"]|>, "7889" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.2, "KilocaloriesThermochemical"/"Moles"]|>, "7890" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.2, "KilocaloriesThermochemical"/"Moles"]|>, "7891" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[19.9, "KilocaloriesThermochemical"/"Moles"]|>, "7892" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[22.2, "KilocaloriesThermochemical"/"Moles"]|>, "7893" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[21.6, "KilocaloriesThermochemical"/"Moles"]|>, "7894" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[22.6, "KilocaloriesThermochemical"/"Moles"]|>, "7895" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[29.2, "KilocaloriesThermochemical"/"Moles"]|>, "7896" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.8, "KilocaloriesThermochemical"/"Moles"]|>, "7897" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11., "KilocaloriesThermochemical"/"Moles"]|>, "7898" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.2, "KilocaloriesThermochemical"/"Moles"]|>, "7899" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.8, "KilocaloriesThermochemical"/"Moles"]|>, "7900" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.5, "KilocaloriesThermochemical"/"Moles"]|>, "7901" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.3, "KilocaloriesThermochemical"/"Moles"]|>, "7902" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[20., "KilocaloriesThermochemical"/"Moles"]|>, "7903" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.7, "KilocaloriesThermochemical"/"Moles"]|>, "7904" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.6, "KilocaloriesThermochemical"/"Moles"]|>, "7905" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.4, "KilocaloriesThermochemical"/"Moles"]|>, "7906" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.5, "KilocaloriesThermochemical"/"Moles"]|>, "7907" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.9, "KilocaloriesThermochemical"/"Moles"]|>, "7908" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13., "KilocaloriesThermochemical"/"Moles"]|>, "7909" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.8, "KilocaloriesThermochemical"/"Moles"]|>, "7910" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.4, "KilocaloriesThermochemical"/"Moles"]|>, "7911" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11., "KilocaloriesThermochemical"/"Moles"]|>, "7912" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.9, "KilocaloriesThermochemical"/"Moles"]|>, "7913" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.4, "KilocaloriesThermochemical"/"Moles"]|>, "7914" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7., "KilocaloriesThermochemical"/"Moles"]|>, "7915" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.8, "KilocaloriesThermochemical"/"Moles"]|>, "7916" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.7, "KilocaloriesThermochemical"/"Moles"]|>, "7917" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[20.4, "KilocaloriesThermochemical"/"Moles"]|>, "7918" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[28.3, "KilocaloriesThermochemical"/"Moles"]|>, "7919" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.6, "KilocaloriesThermochemical"/"Moles"]|>, "7920" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[27.7, "KilocaloriesThermochemical"/"Moles"]|>, "7921" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.2, "KilocaloriesThermochemical"/"Moles"]|>, "7922" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[23.8, "KilocaloriesThermochemical"/"Moles"]|>, "7923" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.7, "KilocaloriesThermochemical"/"Moles"]|>, "7924" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.3, "KilocaloriesThermochemical"/"Moles"]|>, "7925" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9., "KilocaloriesThermochemical"/"Moles"]|>, "7926" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.2, "KilocaloriesThermochemical"/"Moles"]|>, "7927" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.3, "KilocaloriesThermochemical"/"Moles"]|>, "7928" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.6, "KilocaloriesThermochemical"/"Moles"]|>, "7929" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.5, "KilocaloriesThermochemical"/"Moles"]|>, "7930" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.4, "KilocaloriesThermochemical"/"Moles"]|>, "7931" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.7, "KilocaloriesThermochemical"/"Moles"]|>, "7932" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.7, "KilocaloriesThermochemical"/"Moles"]|>, "7933" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.2, "KilocaloriesThermochemical"/"Moles"]|>, "7934" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.9, "KilocaloriesThermochemical"/"Moles"]|>, "7935" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.6, "KilocaloriesThermochemical"/"Moles"]|>, "7936" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.5, "KilocaloriesThermochemical"/"Moles"]|>, "7937" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.2, "KilocaloriesThermochemical"/"Moles"]|>, "7938" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.4, "KilocaloriesThermochemical"/"Moles"]|>, "7939" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[84.8, "KilocaloriesThermochemical"/"Moles"]|>, "7940" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.6, "KilocaloriesThermochemical"/"Moles"]|>, "7941" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.5, "KilocaloriesThermochemical"/"Moles"]|>, "7942" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.3, "KilocaloriesThermochemical"/"Moles"]|>, "7943" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[76.9, "KilocaloriesThermochemical"/"Moles"]|>, "7944" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[71., "KilocaloriesThermochemical"/"Moles"]|>, "7945" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[85.3, "KilocaloriesThermochemical"/"Moles"]|>, "7946" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[87.2, "KilocaloriesThermochemical"/"Moles"]|>, "7947" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[75.9, "KilocaloriesThermochemical"/"Moles"]|>, "7948" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[69.4, "KilocaloriesThermochemical"/"Moles"]|>, "7949" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[88.1, "KilocaloriesThermochemical"/"Moles"]|>, "7950" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[78., "KilocaloriesThermochemical"/"Moles"]|>, "7951" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.7, "KilocaloriesThermochemical"/"Moles"]|>, "7952" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.5, "KilocaloriesThermochemical"/"Moles"]|>, "7953" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.8, "KilocaloriesThermochemical"/"Moles"]|>, "7954" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17., "KilocaloriesThermochemical"/"Moles"]|>, "7955" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.4, "KilocaloriesThermochemical"/"Moles"]|>, "7956" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.6, "KilocaloriesThermochemical"/"Moles"]|>, "7957" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.4, "KilocaloriesThermochemical"/"Moles"]|>, "7958" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.9, "KilocaloriesThermochemical"/"Moles"]|>, "7959" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.1, "KilocaloriesThermochemical"/"Moles"]|>, "7960" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.6, "KilocaloriesThermochemical"/"Moles"]|>, "7961" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.4, "KilocaloriesThermochemical"/"Moles"]|>, "7962" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.1, "KilocaloriesThermochemical"/"Moles"]|>, "7963" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.8, "KilocaloriesThermochemical"/"Moles"]|>, "7964" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11., "KilocaloriesThermochemical"/"Moles"]|>, "7965" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.4, "KilocaloriesThermochemical"/"Moles"]|>, "7966" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.9, "KilocaloriesThermochemical"/"Moles"]|>, "7967" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.4, "KilocaloriesThermochemical"/"Moles"]|>, "7968" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18.9, "KilocaloriesThermochemical"/"Moles"]|>, "7969" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[36.6, "KilocaloriesThermochemical"/"Moles"]|>, "7970" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[43., "KilocaloriesThermochemical"/"Moles"]|>, "7971" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[51.3, "KilocaloriesThermochemical"/"Moles"]|>, "7972" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[48.8, "KilocaloriesThermochemical"/"Moles"]|>, "7973" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.5, "KilocaloriesThermochemical"/"Moles"]|>, "7974" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"]|>, "7975" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[64., "KilocaloriesThermochemical"/"Moles"]|>, "7976" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.2, "KilocaloriesThermochemical"/"Moles"]|>, "7977" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.9, "KilocaloriesThermochemical"/"Moles"]|>, "7978" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.8, "KilocaloriesThermochemical"/"Moles"]|>, "7979" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.5, "KilocaloriesThermochemical"/"Moles"]|>, "7980" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.7, "KilocaloriesThermochemical"/"Moles"]|>, "7981" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[76.3, "KilocaloriesThermochemical"/"Moles"]|>, "7982" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[75., "KilocaloriesThermochemical"/"Moles"]|>, "7983" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[77.4, "KilocaloriesThermochemical"/"Moles"]|>, "7984" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[73.4, "KilocaloriesThermochemical"/"Moles"]|>, "7985" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[73.5, "KilocaloriesThermochemical"/"Moles"]|>, "7986" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[71.6, "KilocaloriesThermochemical"/"Moles"]|>, "7987" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[78.6, "KilocaloriesThermochemical"/"Moles"]|>, "7988" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[64.6, "KilocaloriesThermochemical"/"Moles"]|>, "7989" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.2, "KilocaloriesThermochemical"/"Moles"]|>, "7990" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[19.1, "KilocaloriesThermochemical"/"Moles"]|>, "7991" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18.8, "KilocaloriesThermochemical"/"Moles"]|>, "7992" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[19.5, "KilocaloriesThermochemical"/"Moles"]|>, "7993" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.7, "KilocaloriesThermochemical"/"Moles"]|>, "7994" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[37.5, "KilocaloriesThermochemical"/"Moles"]|>, "7995" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[37.8, "KilocaloriesThermochemical"/"Moles"]|>, "7996" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[33.4, "KilocaloriesThermochemical"/"Moles"]|>, "7997" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[23., "KilocaloriesThermochemical"/"Moles"]|>, "7998" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[39.2, "KilocaloriesThermochemical"/"Moles"]|>, "7999" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[26.1, "KilocaloriesThermochemical"/"Moles"]|>, "8000" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[48.7, "KilocaloriesThermochemical"/"Moles"]|>, "8001" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[27.8, "KilocaloriesThermochemical"/"Moles"]|>, "8002" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[37.3, "KilocaloriesThermochemical"/"Moles"]|>, "8003" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[23.8, "KilocaloriesThermochemical"/"Moles"]|>, "8004" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[36.9, "KilocaloriesThermochemical"/"Moles"]|>, "8005" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[47.6, "KilocaloriesThermochemical"/"Moles"]|>, "8006" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[36.1, "KilocaloriesThermochemical"/"Moles"]|>, "8007" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[31.5, "KilocaloriesThermochemical"/"Moles"]|>, "8008" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[37.7, "KilocaloriesThermochemical"/"Moles"]|>, "8009" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.4, "KilocaloriesThermochemical"/"Moles"]|>, "8010" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[19.7, "KilocaloriesThermochemical"/"Moles"]|>, "8011" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.7, "KilocaloriesThermochemical"/"Moles"]|>, "8012" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[25.5, "KilocaloriesThermochemical"/"Moles"]|>, "8013" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.5, "KilocaloriesThermochemical"/"Moles"]|>, "8014" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.2, "KilocaloriesThermochemical"/"Moles"]|>, "8015" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.3, "KilocaloriesThermochemical"/"Moles"]|>, "8016" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.7, "KilocaloriesThermochemical"/"Moles"]|>, "8017" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.7, "KilocaloriesThermochemical"/"Moles"]|>, "8018" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.2, "KilocaloriesThermochemical"/"Moles"]|>, "8019" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.4, "KilocaloriesThermochemical"/"Moles"]|>, "8020" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6., "KilocaloriesThermochemical"/"Moles"]|>, "8021" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.8, "KilocaloriesThermochemical"/"Moles"]|>, "8022" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3., "KilocaloriesThermochemical"/"Moles"]|>, "8023" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16., "KilocaloriesThermochemical"/"Moles"]|>, "8024" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[19.4, "KilocaloriesThermochemical"/"Moles"]|>, "8025" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[91., "KilocaloriesThermochemical"/"Moles"]|>, "8026" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[86.8, "KilocaloriesThermochemical"/"Moles"]|>, "8027" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[22.3, "KilocaloriesThermochemical"/"Moles"]|>, "8028" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[23.7, "KilocaloriesThermochemical"/"Moles"]|>, "8029" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.1, "KilocaloriesThermochemical"/"Moles"]|>, "8030" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"]|>, "8031" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.3, "KilocaloriesThermochemical"/"Moles"]|>, "8032" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-0.6, "KilocaloriesThermochemical"/"Moles"]|>, "8033" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[32.3, "KilocaloriesThermochemical"/"Moles"]|>, "8034" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[60., "KilocaloriesThermochemical"/"Moles"]|>, "8035" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[24., "KilocaloriesThermochemical"/"Moles"]|>, "8036" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[69.9, "KilocaloriesThermochemical"/"Moles"]|>, "8037" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[71.6, "KilocaloriesThermochemical"/"Moles"]|>, "8038" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[68.4, "KilocaloriesThermochemical"/"Moles"]|>, "8039" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[67.7, "KilocaloriesThermochemical"/"Moles"]|>, "8040" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[61.5, "KilocaloriesThermochemical"/"Moles"]|>, "8041" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[60.4, "KilocaloriesThermochemical"/"Moles"]|>, "8042" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[56.3, "KilocaloriesThermochemical"/"Moles"]|>, "8043" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[63.1, "KilocaloriesThermochemical"/"Moles"]|>, "8044" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[54.1, "KilocaloriesThermochemical"/"Moles"]|>, "8045" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[52.8, "KilocaloriesThermochemical"/"Moles"]|>, "8046" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[58.1, "KilocaloriesThermochemical"/"Moles"]|>, "8047" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[56.2, "KilocaloriesThermochemical"/"Moles"]|>, "8048" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[73.4, "KilocaloriesThermochemical"/"Moles"]|>, "8049" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[71.5, "KilocaloriesThermochemical"/"Moles"]|>, "8050" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[68.7, "KilocaloriesThermochemical"/"Moles"]|>, "8051" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[66.1, "KilocaloriesThermochemical"/"Moles"]|>, "8052" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3., "KilocaloriesThermochemical"/"Moles"]|>, "8053" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[89., "KilocaloriesThermochemical"/"Moles"]|>, "8054" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[65.2, "KilocaloriesThermochemical"/"Moles"]|>, "8055" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[65., "KilocaloriesThermochemical"/"Moles"]|>, "8056" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[77.6, "KilocaloriesThermochemical"/"Moles"]|>, "8057" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[114.1, "KilocaloriesThermochemical"/"Moles"]|>, "8058" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[72.4, "KilocaloriesThermochemical"/"Moles"]|>, "8059" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[90.2, "KilocaloriesThermochemical"/"Moles"]|>, "8060" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[87.4, "KilocaloriesThermochemical"/"Moles"]|>, "8061" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[119.3, "KilocaloriesThermochemical"/"Moles"]|>, "8062" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[98.3, "KilocaloriesThermochemical"/"Moles"]|>, "8063" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[62.3, "KilocaloriesThermochemical"/"Moles"]|>, "8064" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[79.2, "KilocaloriesThermochemical"/"Moles"]|>, "8065" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[87.8, "KilocaloriesThermochemical"/"Moles"]|>, "8066" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[80., "KilocaloriesThermochemical"/"Moles"]|>, "8067" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[87.2, "KilocaloriesThermochemical"/"Moles"]|>, "8068" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[83.1, "KilocaloriesThermochemical"/"Moles"]|>, "8069" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.1, "KilocaloriesThermochemical"/"Moles"]|>, "8070" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.2, "KilocaloriesThermochemical"/"Moles"]|>, "8071" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[24.8, "KilocaloriesThermochemical"/"Moles"]|>, "8072" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.6, "KilocaloriesThermochemical"/"Moles"]|>, "8073" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.8, "KilocaloriesThermochemical"/"Moles"]|>, "8074" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.6, "KilocaloriesThermochemical"/"Moles"]|>, "8075" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8076" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.9, "KilocaloriesThermochemical"/"Moles"]|>, "8077" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[123.2, "KilocaloriesThermochemical"/"Moles"]|>, "8078" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.5, "KilocaloriesThermochemical"/"Moles"]|>, "8079" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[22.4, "KilocaloriesThermochemical"/"Moles"]|>, "8080" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.8, "KilocaloriesThermochemical"/"Moles"]|>, "8081" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[20.9, "KilocaloriesThermochemical"/"Moles"]|>, "8082" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[25.2, "KilocaloriesThermochemical"/"Moles"]|>, "8083" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.1, "KilocaloriesThermochemical"/"Moles"]|>, "8084" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.7, "KilocaloriesThermochemical"/"Moles"]|>, "8085" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.3, "KilocaloriesThermochemical"/"Moles"]|>, "8086" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[30.6, "KilocaloriesThermochemical"/"Moles"]|>, "8087" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[123.4, "KilocaloriesThermochemical"/"Moles"]|>, "8088" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[75.8, "KilocaloriesThermochemical"/"Moles"]|>, "8089" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[106.9, "KilocaloriesThermochemical"/"Moles"]|>, "8090" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[73.1, "KilocaloriesThermochemical"/"Moles"]|>, "8091" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[32.8, "KilocaloriesThermochemical"/"Moles"]|>, "8092" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.4, "KilocaloriesThermochemical"/"Moles"]|>, "8093" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.3, "KilocaloriesThermochemical"/"Moles"]|>, "8094" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[21.1, "KilocaloriesThermochemical"/"Moles"]|>, "8095" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.3, "KilocaloriesThermochemical"/"Moles"]|>, "8096" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.6, "KilocaloriesThermochemical"/"Moles"]|>, "8097" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.1, "KilocaloriesThermochemical"/"Moles"]|>, "8098" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.2, "KilocaloriesThermochemical"/"Moles"]|>, "8099" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.8, "KilocaloriesThermochemical"/"Moles"]|>, "8100" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.1, "KilocaloriesThermochemical"/"Moles"]|>, "8101" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.2, "KilocaloriesThermochemical"/"Moles"]|>, "8102" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.4, "KilocaloriesThermochemical"/"Moles"]|>, "8103" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13., "KilocaloriesThermochemical"/"Moles"]|>, "8104" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[61.6, "KilocaloriesThermochemical"/"Moles"]|>, "8105" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[20.8, "KilocaloriesThermochemical"/"Moles"]|>, "8106" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[27.7, "KilocaloriesThermochemical"/"Moles"]|>, "8107" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[29.9, "KilocaloriesThermochemical"/"Moles"]|>, "8108" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[26., "KilocaloriesThermochemical"/"Moles"]|>, "8109" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[37.5, "KilocaloriesThermochemical"/"Moles"]|>, "8110" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[28.7, "KilocaloriesThermochemical"/"Moles"]|>, "8111" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[29., "KilocaloriesThermochemical"/"Moles"]|>, "8112" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[32.6, "KilocaloriesThermochemical"/"Moles"]|>, "8113" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[34.6, "KilocaloriesThermochemical"/"Moles"]|>, "8114" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[28.2, "KilocaloriesThermochemical"/"Moles"]|>, "8115" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[31.1, "KilocaloriesThermochemical"/"Moles"]|>, "8116" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[30.1, "KilocaloriesThermochemical"/"Moles"]|>, "8117" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[25.5, "KilocaloriesThermochemical"/"Moles"]|>, "8118" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[29.9, "KilocaloriesThermochemical"/"Moles"]|>, "8119" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[26.1, "KilocaloriesThermochemical"/"Moles"]|>, "8120" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[27.2, "KilocaloriesThermochemical"/"Moles"]|>, "8121" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[26.1, "KilocaloriesThermochemical"/"Moles"]|>, "8122" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[34.9, "KilocaloriesThermochemical"/"Moles"]|>, "8123" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[28.8, "KilocaloriesThermochemical"/"Moles"]|>, "8124" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[27., "KilocaloriesThermochemical"/"Moles"]|>, "8125" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[30.1, "KilocaloriesThermochemical"/"Moles"]|>, "8126" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[26.1, "KilocaloriesThermochemical"/"Moles"]|>, "8127" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[29.4, "KilocaloriesThermochemical"/"Moles"]|>, "8128" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[27.3, "KilocaloriesThermochemical"/"Moles"]|>, "8129" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[30.3, "KilocaloriesThermochemical"/"Moles"]|>, "8130" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[21.4, "KilocaloriesThermochemical"/"Moles"]|>, "8131" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[30.5, "KilocaloriesThermochemical"/"Moles"]|>, "8132" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[27., "KilocaloriesThermochemical"/"Moles"]|>, "8133" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[28.5, "KilocaloriesThermochemical"/"Moles"]|>, "8134" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[21.9, "KilocaloriesThermochemical"/"Moles"]|>, "8135" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[19.7, "KilocaloriesThermochemical"/"Moles"]|>, "8136" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[25.8, "KilocaloriesThermochemical"/"Moles"]|>, "8137" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[31.1, "KilocaloriesThermochemical"/"Moles"]|>, "8138" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[32.7, "KilocaloriesThermochemical"/"Moles"]|>, "8139" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[35.9, "KilocaloriesThermochemical"/"Moles"]|>, "8140" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[33.7, "KilocaloriesThermochemical"/"Moles"]|>, "8141" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[128.2, "KilocaloriesThermochemical"/"Moles"]|>, "8142" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.6, "KilocaloriesThermochemical"/"Moles"]|>, "8143" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.6, "KilocaloriesThermochemical"/"Moles"]|>, "8144" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.5, "KilocaloriesThermochemical"/"Moles"]|>, "8145" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[107.4, "KilocaloriesThermochemical"/"Moles"]|>, "8146" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[113.4, "KilocaloriesThermochemical"/"Moles"]|>, "8147" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.4, "KilocaloriesThermochemical"/"Moles"]|>, "8148" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[21., "KilocaloriesThermochemical"/"Moles"]|>, "8149" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[68.5, "KilocaloriesThermochemical"/"Moles"]|>, "8150" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[31.3, "KilocaloriesThermochemical"/"Moles"]|>, "8151" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[28.8, "KilocaloriesThermochemical"/"Moles"]|>, "8152" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.8, "KilocaloriesThermochemical"/"Moles"]|>, "8153" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[92.2, "KilocaloriesThermochemical"/"Moles"]|>, "8154" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[69.9, "KilocaloriesThermochemical"/"Moles"]|>, "8155" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[25.7, "KilocaloriesThermochemical"/"Moles"]|>, "8156" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[27.3, "KilocaloriesThermochemical"/"Moles"]|>, "8157" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.3, "KilocaloriesThermochemical"/"Moles"]|>, "8158" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18.9, "KilocaloriesThermochemical"/"Moles"]|>, "8159" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[20.3, "KilocaloriesThermochemical"/"Moles"]|>, "8160" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15., "KilocaloriesThermochemical"/"Moles"]|>, "8161" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.4, "KilocaloriesThermochemical"/"Moles"]|>, "8162" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.9, "KilocaloriesThermochemical"/"Moles"]|>, "8163" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[21.2, "KilocaloriesThermochemical"/"Moles"]|>, "8164" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.8, "KilocaloriesThermochemical"/"Moles"]|>, "8165" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.4, "KilocaloriesThermochemical"/"Moles"]|>, "8166" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[21.5, "KilocaloriesThermochemical"/"Moles"]|>, "8167" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.5, "KilocaloriesThermochemical"/"Moles"]|>, "8168" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.5, "KilocaloriesThermochemical"/"Moles"]|>, "8169" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18.9, "KilocaloriesThermochemical"/"Moles"]|>, "8170" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.6, "KilocaloriesThermochemical"/"Moles"]|>, "8171" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.1, "KilocaloriesThermochemical"/"Moles"]|>, "8172" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.5, "KilocaloriesThermochemical"/"Moles"]|>, "8173" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.2, "KilocaloriesThermochemical"/"Moles"]|>, "8174" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[24.6, "KilocaloriesThermochemical"/"Moles"]|>, "8175" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[18.6, "KilocaloriesThermochemical"/"Moles"]|>, "8176" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[20., "KilocaloriesThermochemical"/"Moles"]|>, "8177" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[24.3, "KilocaloriesThermochemical"/"Moles"]|>, "8178" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[24., "KilocaloriesThermochemical"/"Moles"]|>, "8179" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[19.7, "KilocaloriesThermochemical"/"Moles"]|>, "8180" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.2, "KilocaloriesThermochemical"/"Moles"]|>, "8181" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.5, "KilocaloriesThermochemical"/"Moles"]|>, "8182" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.8, "KilocaloriesThermochemical"/"Moles"]|>, "8183" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.3, "KilocaloriesThermochemical"/"Moles"]|>, "8184" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[19.4, "KilocaloriesThermochemical"/"Moles"]|>, "8185" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.9, "KilocaloriesThermochemical"/"Moles"]|>, "8186" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.4, "KilocaloriesThermochemical"/"Moles"]|>, "8187" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[24.2, "KilocaloriesThermochemical"/"Moles"]|>, "8188" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[26.4, "KilocaloriesThermochemical"/"Moles"]|>, "8189" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.4, "KilocaloriesThermochemical"/"Moles"]|>, "8190" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[31.3, "KilocaloriesThermochemical"/"Moles"]|>, "8191" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[47.7, "KilocaloriesThermochemical"/"Moles"]|>, "8192" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[32.8, "KilocaloriesThermochemical"/"Moles"]|>, "8193" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[26.6, "KilocaloriesThermochemical"/"Moles"]|>, "8194" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[30.9, "KilocaloriesThermochemical"/"Moles"]|>, "8195" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[33.3, "KilocaloriesThermochemical"/"Moles"]|>, "8196" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[30.6, "KilocaloriesThermochemical"/"Moles"]|>, "8197" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[31.9, "KilocaloriesThermochemical"/"Moles"]|>, "8198" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[32., "KilocaloriesThermochemical"/"Moles"]|>, "8199" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[21.8, "KilocaloriesThermochemical"/"Moles"]|>, "8200" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[27.9, "KilocaloriesThermochemical"/"Moles"]|>, "8201" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[35.3, "KilocaloriesThermochemical"/"Moles"]|>, "8202" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[36.7, "KilocaloriesThermochemical"/"Moles"]|>, "8203" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[34.4, "KilocaloriesThermochemical"/"Moles"]|>, "8204" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[30., "KilocaloriesThermochemical"/"Moles"]|>, "8205" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[31.5, "KilocaloriesThermochemical"/"Moles"]|>, "8206" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-1.6, "KilocaloriesThermochemical"/"Moles"]|>, "8207" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"]|>, "8208" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"]|>, "8209" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"]|>, "8210" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"]|>, "8211" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.6, "KilocaloriesThermochemical"/"Moles"]|>, "8212" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.7, "KilocaloriesThermochemical"/"Moles"]|>, "8213" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[30.4, "KilocaloriesThermochemical"/"Moles"]|>, "8214" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.4, "KilocaloriesThermochemical"/"Moles"]|>, "8215" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.4, "KilocaloriesThermochemical"/"Moles"]|>, "8216" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.1, "KilocaloriesThermochemical"/"Moles"]|>, "8217" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[63., "KilocaloriesThermochemical"/"Moles"]|>, "8218" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[40.7, "KilocaloriesThermochemical"/"Moles"]|>, "8219" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[65.5, "KilocaloriesThermochemical"/"Moles"]|>, "8220" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[49.7, "KilocaloriesThermochemical"/"Moles"]|>, "8221" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[57.8, "KilocaloriesThermochemical"/"Moles"]|>, "8222" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[58.3, "KilocaloriesThermochemical"/"Moles"]|>, "8223" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[59.1, "KilocaloriesThermochemical"/"Moles"]|>, "8224" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[56.4, "KilocaloriesThermochemical"/"Moles"]|>, "8225" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[48.7, "KilocaloriesThermochemical"/"Moles"]|>, "8226" -> 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Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.5, "KilocaloriesThermochemical"/"Moles"]|>, "8297" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.5, "KilocaloriesThermochemical"/"Moles"]|>, "8298" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.7, "KilocaloriesThermochemical"/"Moles"]|>, "8299" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.3, "KilocaloriesThermochemical"/"Moles"]|>, "8300" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.2, "KilocaloriesThermochemical"/"Moles"]|>, "8301" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6., "KilocaloriesThermochemical"/"Moles"]|>, "8302" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[97.5, "KilocaloriesThermochemical"/"Moles"]|>, "8303" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.9, "KilocaloriesThermochemical"/"Moles"]|>, "8304" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.9, "KilocaloriesThermochemical"/"Moles"]|>, "8305" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.6, "KilocaloriesThermochemical"/"Moles"]|>, "8306" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.4, "KilocaloriesThermochemical"/"Moles"]|>, "8307" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.1, "KilocaloriesThermochemical"/"Moles"]|>, "8308" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.3, "KilocaloriesThermochemical"/"Moles"]|>, "8309" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.8, "KilocaloriesThermochemical"/"Moles"]|>, "8310" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.5, "KilocaloriesThermochemical"/"Moles"]|>, "8311" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.5, "KilocaloriesThermochemical"/"Moles"]|>, "8312" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.3, "KilocaloriesThermochemical"/"Moles"]|>, "8313" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.7, "KilocaloriesThermochemical"/"Moles"]|>, "8314" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.5, "KilocaloriesThermochemical"/"Moles"]|>, "8315" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.3, "KilocaloriesThermochemical"/"Moles"]|>, "8316" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.1, "KilocaloriesThermochemical"/"Moles"]|>, "8317" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.6, "KilocaloriesThermochemical"/"Moles"]|>, "8318" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.5, "KilocaloriesThermochemical"/"Moles"]|>, "8319" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.9, "KilocaloriesThermochemical"/"Moles"]|>, "8320" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[74.4, "KilocaloriesThermochemical"/"Moles"]|>, "8321" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.8, "KilocaloriesThermochemical"/"Moles"]|>, "8322" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.8, "KilocaloriesThermochemical"/"Moles"]|>, "8323" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.8, "KilocaloriesThermochemical"/"Moles"]|>, "8324" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[0.8, "KilocaloriesThermochemical"/"Moles"]|>, "8325" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4., "KilocaloriesThermochemical"/"Moles"]|>, "8326" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.4, "KilocaloriesThermochemical"/"Moles"]|>, "8327" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.5, "KilocaloriesThermochemical"/"Moles"]|>, "8328" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5., "KilocaloriesThermochemical"/"Moles"]|>, "8329" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[43.1, "KilocaloriesThermochemical"/"Moles"]|>, "8330" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[28.6, "KilocaloriesThermochemical"/"Moles"]|>, "8331" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[34.6, "KilocaloriesThermochemical"/"Moles"]|>, "8332" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[45., "KilocaloriesThermochemical"/"Moles"]|>, "8333" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[30.9, "KilocaloriesThermochemical"/"Moles"]|>, "8334" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[42., "KilocaloriesThermochemical"/"Moles"]|>, "8335" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[50.6, "KilocaloriesThermochemical"/"Moles"]|>, "8336" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[45.8, "KilocaloriesThermochemical"/"Moles"]|>, "8337" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[31.4, "KilocaloriesThermochemical"/"Moles"]|>, "8338" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[27.1, "KilocaloriesThermochemical"/"Moles"]|>, "8339" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[27.3, "KilocaloriesThermochemical"/"Moles"]|>, "8340" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[26.2, "KilocaloriesThermochemical"/"Moles"]|>, "8341" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[28.8, "KilocaloriesThermochemical"/"Moles"]|>, "8342" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[25.4, "KilocaloriesThermochemical"/"Moles"]|>, "8343" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[23., "KilocaloriesThermochemical"/"Moles"]|>, "8344" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[30.9, "KilocaloriesThermochemical"/"Moles"]|>, "8345" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[26.4, "KilocaloriesThermochemical"/"Moles"]|>, "8346" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[23.2, "KilocaloriesThermochemical"/"Moles"]|>, "8347" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.4, "KilocaloriesThermochemical"/"Moles"]|>, "8348" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[27.1, "KilocaloriesThermochemical"/"Moles"]|>, "8349" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[30.5, "KilocaloriesThermochemical"/"Moles"]|>, "8350" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[24.2, "KilocaloriesThermochemical"/"Moles"]|>, "8351" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[23.7, "KilocaloriesThermochemical"/"Moles"]|>, "8352" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[26.1, "KilocaloriesThermochemical"/"Moles"]|>, "8353" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.4, "KilocaloriesThermochemical"/"Moles"]|>, "8354" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.4, "KilocaloriesThermochemical"/"Moles"]|>, "8355" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.1, "KilocaloriesThermochemical"/"Moles"]|>, "8356" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[15.5, "KilocaloriesThermochemical"/"Moles"]|>, "8357" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[134.8, "KilocaloriesThermochemical"/"Moles"]|>, "8358" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.7, "KilocaloriesThermochemical"/"Moles"]|>, "8359" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.4, "KilocaloriesThermochemical"/"Moles"]|>, "8360" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[46.1, "KilocaloriesThermochemical"/"Moles"]|>, "8361" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.7, "KilocaloriesThermochemical"/"Moles"]|>, "8362" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[1.8, "KilocaloriesThermochemical"/"Moles"]|>, "8363" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.4, "KilocaloriesThermochemical"/"Moles"]|>, "8364" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.3, "KilocaloriesThermochemical"/"Moles"]|>, "8365" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.3, "KilocaloriesThermochemical"/"Moles"]|>, "8366" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.9, "KilocaloriesThermochemical"/"Moles"]|>, "8367" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.5, "KilocaloriesThermochemical"/"Moles"]|>, "8368" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.1, "KilocaloriesThermochemical"/"Moles"]|>, "8369" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17.2, "KilocaloriesThermochemical"/"Moles"]|>, "8370" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[37.8, "KilocaloriesThermochemical"/"Moles"]|>, "8371" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[50.6, "KilocaloriesThermochemical"/"Moles"]|>, "8372" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8373" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.5, "KilocaloriesThermochemical"/"Moles"]|>, "8374" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13., "KilocaloriesThermochemical"/"Moles"]|>, "8375" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.9, "KilocaloriesThermochemical"/"Moles"]|>, "8376" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[24.5, "KilocaloriesThermochemical"/"Moles"]|>, "8377" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[105.1, "KilocaloriesThermochemical"/"Moles"]|>, "8378" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[19.4, "KilocaloriesThermochemical"/"Moles"]|>, "8379" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.4, "KilocaloriesThermochemical"/"Moles"]|>, "8380" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[8.2, "KilocaloriesThermochemical"/"Moles"]|>, "8381" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.8, "KilocaloriesThermochemical"/"Moles"]|>, "8382" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[19.9, "KilocaloriesThermochemical"/"Moles"]|>, "8383" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[36.4, "KilocaloriesThermochemical"/"Moles"]|>, "8384" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[26.7, "KilocaloriesThermochemical"/"Moles"]|>, "8385" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8386" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[27.7, "KilocaloriesThermochemical"/"Moles"]|>, "8387" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[18.2, "KilocaloriesThermochemical"/"Moles"]|>, "8388" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[13.2, "KilocaloriesThermochemical"/"Moles"]|>, "8389" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[25.7, "KilocaloriesThermochemical"/"Moles"]|>, "8390" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.4, "KilocaloriesThermochemical"/"Moles"]|>, "8391" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[16.2, "KilocaloriesThermochemical"/"Moles"]|>, "8392" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[11.3, "KilocaloriesThermochemical"/"Moles"]|>, "8393" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.2, "KilocaloriesThermochemical"/"Moles"]|>, "8394" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8395" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[52.1, "KilocaloriesThermochemical"/"Moles"]|>, "8396" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[48.5, "KilocaloriesThermochemical"/"Moles"]|>, "8397" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[63.6, "KilocaloriesThermochemical"/"Moles"]|>, "8398" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[54., "KilocaloriesThermochemical"/"Moles"]|>, "8399" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.8, "KilocaloriesThermochemical"/"Moles"]|>, "8400" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.5, "KilocaloriesThermochemical"/"Moles"]|>, "8401" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[2.9, "KilocaloriesThermochemical"/"Moles"]|>, "8402" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[28.9, "KilocaloriesThermochemical"/"Moles"]|>, "8403" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[44.8, "KilocaloriesThermochemical"/"Moles"]|>, "8404" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[36., "KilocaloriesThermochemical"/"Moles"]|>, "8405" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[41.8, "KilocaloriesThermochemical"/"Moles"]|>, "8406" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[35.6, "KilocaloriesThermochemical"/"Moles"]|>, "8407" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[35.5, "KilocaloriesThermochemical"/"Moles"]|>, "8408" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[40.2, "KilocaloriesThermochemical"/"Moles"]|>, "8409" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[39.7, "KilocaloriesThermochemical"/"Moles"]|>, "8410" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[38.9, "KilocaloriesThermochemical"/"Moles"]|>, "8411" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[47.8, "KilocaloriesThermochemical"/"Moles"]|>, "8412" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[47.9, "KilocaloriesThermochemical"/"Moles"]|>, "8413" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[35.2, "KilocaloriesThermochemical"/"Moles"]|>, "8414" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[43.7, "KilocaloriesThermochemical"/"Moles"]|>, "8415" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[34.2, "KilocaloriesThermochemical"/"Moles"]|>, "8416" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[41.8, "KilocaloriesThermochemical"/"Moles"]|>, "8417" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[52.5, "KilocaloriesThermochemical"/"Moles"]|>, "8418" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[43.7, "KilocaloriesThermochemical"/"Moles"]|>, "8419" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[149.6, "KilocaloriesThermochemical"/"Moles"]|>, "8420" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[30., "KilocaloriesThermochemical"/"Moles"]|>, "8421" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[46.4, "KilocaloriesThermochemical"/"Moles"]|>, "8422" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[49.5, "KilocaloriesThermochemical"/"Moles"]|>, "8423" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[60.7, "KilocaloriesThermochemical"/"Moles"]|>, "8424" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8425" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8426" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8427" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8428" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[44.8, "KilocaloriesThermochemical"/"Moles"]|>, "8429" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[36.7, "KilocaloriesThermochemical"/"Moles"]|>, "8430" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[26.1, "KilocaloriesThermochemical"/"Moles"]|>, "8431" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[21.4, "KilocaloriesThermochemical"/"Moles"]|>, "8432" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.2, "KilocaloriesThermochemical"/"Moles"]|>, "8433" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[4.8, "KilocaloriesThermochemical"/"Moles"]|>, "8434" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.9, "KilocaloriesThermochemical"/"Moles"]|>, "8435" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[5.3, "KilocaloriesThermochemical"/"Moles"]|>, "8436" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[3.7, "KilocaloriesThermochemical"/"Moles"]|>, "8437" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.8, "KilocaloriesThermochemical"/"Moles"]|>, "8438" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[32.8, "KilocaloriesThermochemical"/"Moles"]|>, "8439" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8440" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[46.3, "KilocaloriesThermochemical"/"Moles"]|>, "8441" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[42.4, "KilocaloriesThermochemical"/"Moles"]|>, "8442" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[41.1, "KilocaloriesThermochemical"/"Moles"]|>, "8443" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[130.1, "KilocaloriesThermochemical"/"Moles"]|>, "8444" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[24.7, "KilocaloriesThermochemical"/"Moles"]|>, "8445" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[60.9, "KilocaloriesThermochemical"/"Moles"]|>, "8446" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[24., "KilocaloriesThermochemical"/"Moles"]|>, "8447" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[16.2, "KilocaloriesThermochemical"/"Moles"]|>, "8448" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[39.4, "KilocaloriesThermochemical"/"Moles"]|>, "8449" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[10.4, "KilocaloriesThermochemical"/"Moles"]|>, "8450" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[31.4, "KilocaloriesThermochemical"/"Moles"]|>, "8451" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[34.1, "KilocaloriesThermochemical"/"Moles"]|>, "8452" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[77.9, "KilocaloriesThermochemical"/"Moles"]|>, "8453" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[30.2, "KilocaloriesThermochemical"/"Moles"]|>, "8454" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[36.2, "KilocaloriesThermochemical"/"Moles"]|>, "8455" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[41.7, "KilocaloriesThermochemical"/"Moles"]|>, "8456" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[41.2, "KilocaloriesThermochemical"/"Moles"]|>, "8457" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[32.5, "KilocaloriesThermochemical"/"Moles"]|>, "8458" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[36.7, "KilocaloriesThermochemical"/"Moles"]|>, "8459" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[38.4, "KilocaloriesThermochemical"/"Moles"]|>, "8460" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[44., "KilocaloriesThermochemical"/"Moles"]|>, "8461" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[36.3, "KilocaloriesThermochemical"/"Moles"]|>, "8462" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[22.8, "KilocaloriesThermochemical"/"Moles"]|>, "8463" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[29.3, "KilocaloriesThermochemical"/"Moles"]|>, "8464" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[47.8, "KilocaloriesThermochemical"/"Moles"]|>, "8465" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[39.5, "KilocaloriesThermochemical"/"Moles"]|>, "8466" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[38.9, "KilocaloriesThermochemical"/"Moles"]|>, "8467" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[34.8, "KilocaloriesThermochemical"/"Moles"]|>, "8468" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[25.9, "KilocaloriesThermochemical"/"Moles"]|>, "8469" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8470" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8471" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[25.8, "KilocaloriesThermochemical"/"Moles"]|>, "8472" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6., "KilocaloriesThermochemical"/"Moles"]|>, "8473" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[6.1, "KilocaloriesThermochemical"/"Moles"]|>, "8474" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[7.2, "KilocaloriesThermochemical"/"Moles"]|>, "8475" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[33., "KilocaloriesThermochemical"/"Moles"]|>, "8476" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[48.2, "KilocaloriesThermochemical"/"Moles"]|>, "8477" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[34.5, "KilocaloriesThermochemical"/"Moles"]|>, "8478" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[48.5, "KilocaloriesThermochemical"/"Moles"]|>, "8479" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[52.7, "KilocaloriesThermochemical"/"Moles"]|>, "8480" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[38.9, "KilocaloriesThermochemical"/"Moles"]|>, "8481" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[44.5, "KilocaloriesThermochemical"/"Moles"]|>, "8482" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[31.3, "KilocaloriesThermochemical"/"Moles"]|>, "8483" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[41.2, "KilocaloriesThermochemical"/"Moles"]|>, "8484" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[36.9, "KilocaloriesThermochemical"/"Moles"]|>, "8485" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[33.2, "KilocaloriesThermochemical"/"Moles"]|>, "8486" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[36.3, "KilocaloriesThermochemical"/"Moles"]|>, "8487" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[39.4, "KilocaloriesThermochemical"/"Moles"]|>, "8488" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[36.5, "KilocaloriesThermochemical"/"Moles"]|>, "8489" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[38.5, "KilocaloriesThermochemical"/"Moles"]|>, "8490" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[44.9, "KilocaloriesThermochemical"/"Moles"]|>, "8491" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[39.9, "KilocaloriesThermochemical"/"Moles"]|>, "8492" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[34.2, "KilocaloriesThermochemical"/"Moles"]|>, "8493" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[47.1, "KilocaloriesThermochemical"/"Moles"]|>, "8494" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[33.6, "KilocaloriesThermochemical"/"Moles"]|>, "8495" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[36.5, "KilocaloriesThermochemical"/"Moles"]|>, "8496" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[45.3, "KilocaloriesThermochemical"/"Moles"]|>, "8497" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[47.8, "KilocaloriesThermochemical"/"Moles"]|>, "8498" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[48.4, "KilocaloriesThermochemical"/"Moles"]|>, "8499" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[54.8, "KilocaloriesThermochemical"/"Moles"]|>, "8500" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[46.8, "KilocaloriesThermochemical"/"Moles"]|>, "8501" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[49., "KilocaloriesThermochemical"/"Moles"]|>, "8502" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[45.5, "KilocaloriesThermochemical"/"Moles"]|>, "8503" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[52.6, "KilocaloriesThermochemical"/"Moles"]|>, "8504" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[45.5, "KilocaloriesThermochemical"/"Moles"]|>, "8505" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[47.1, "KilocaloriesThermochemical"/"Moles"]|>, "8506" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[55.3, "KilocaloriesThermochemical"/"Moles"]|>, "8507" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[47., "KilocaloriesThermochemical"/"Moles"]|>, "8508" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[55., "KilocaloriesThermochemical"/"Moles"]|>, "8509" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[47.4, "KilocaloriesThermochemical"/"Moles"]|>, "8510" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[47.6, "KilocaloriesThermochemical"/"Moles"]|>, "8511" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[48.9, "KilocaloriesThermochemical"/"Moles"]|>, "8512" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[32.9, "KilocaloriesThermochemical"/"Moles"]|>, "8513" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[62., "KilocaloriesThermochemical"/"Moles"]|>, "8514" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[153.6, "KilocaloriesThermochemical"/"Moles"]|>, "8515" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[44.8, "KilocaloriesThermochemical"/"Moles"]|>, "8516" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[38.9, "KilocaloriesThermochemical"/"Moles"]|>, "8517" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[39., "KilocaloriesThermochemical"/"Moles"]|>, "8518" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[42.1, "KilocaloriesThermochemical"/"Moles"]|>, "8519" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[39.5, "KilocaloriesThermochemical"/"Moles"]|>, "8520" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[41., "KilocaloriesThermochemical"/"Moles"]|>, "8521" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[42.8, "KilocaloriesThermochemical"/"Moles"]|>, "8522" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[43.5, "KilocaloriesThermochemical"/"Moles"]|>, "8523" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[47.9, "KilocaloriesThermochemical"/"Moles"]|>, "8524" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[34.5, "KilocaloriesThermochemical"/"Moles"]|>, "8525" -> <|"IsolatedSProteinVinaScore" -> Quantity[-1.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[89.7, "KilocaloriesThermochemical"/"Moles"]|>, "8526" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[99.8, "KilocaloriesThermochemical"/"Moles"]|>, "8527" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[41.6, "KilocaloriesThermochemical"/"Moles"]|>, "8528" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[51.3, "KilocaloriesThermochemical"/"Moles"]|>, "8529" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[91.7, "KilocaloriesThermochemical"/"Moles"]|>, "8530" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[47.9, "KilocaloriesThermochemical"/"Moles"]|>, "8531" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[57.6, "KilocaloriesThermochemical"/"Moles"]|>, "8532" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[80.6, "KilocaloriesThermochemical"/"Moles"]|>, "8533" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[55.6, "KilocaloriesThermochemical"/"Moles"]|>, "8534" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[48.8, "KilocaloriesThermochemical"/"Moles"]|>, "8535" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[53.8, "KilocaloriesThermochemical"/"Moles"]|>, "8536" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[50.6, "KilocaloriesThermochemical"/"Moles"]|>, "8537" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[67.4, "KilocaloriesThermochemical"/"Moles"]|>, "8538" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[56.8, "KilocaloriesThermochemical"/"Moles"]|>, "8539" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[60.5, "KilocaloriesThermochemical"/"Moles"]|>, "8540" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[50.1, "KilocaloriesThermochemical"/"Moles"]|>, "8541" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[54.5, "KilocaloriesThermochemical"/"Moles"]|>, "8542" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[130.9, "KilocaloriesThermochemical"/"Moles"]|>, "8543" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[52., "KilocaloriesThermochemical"/"Moles"]|>, "8544" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8545" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[80.5, "KilocaloriesThermochemical"/"Moles"]|>, "8546" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[190.8, "KilocaloriesThermochemical"/"Moles"]|>, "8547" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[70.9, "KilocaloriesThermochemical"/"Moles"]|>, "8548" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[57.9, "KilocaloriesThermochemical"/"Moles"]|>, "8549" -> <|"IsolatedSProteinVinaScore" -> Quantity[-1.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[124.6, "KilocaloriesThermochemical"/"Moles"]|>, "8550" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8551" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8552" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[82.1, "KilocaloriesThermochemical"/"Moles"]|>, "8553" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[64.2, "KilocaloriesThermochemical"/"Moles"]|>, "8554" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[58.4, "KilocaloriesThermochemical"/"Moles"]|>, "8555" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[61.8, "KilocaloriesThermochemical"/"Moles"]|>, "8556" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[50.4, "KilocaloriesThermochemical"/"Moles"]|>, "8557" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[41.2, "KilocaloriesThermochemical"/"Moles"]|>, "8558" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[71.1, "KilocaloriesThermochemical"/"Moles"]|>, "8559" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[50.8, "KilocaloriesThermochemical"/"Moles"]|>, "8560" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[85.3, "KilocaloriesThermochemical"/"Moles"]|>, "8561" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[75.3, "KilocaloriesThermochemical"/"Moles"]|>, "8562" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[56.8, "KilocaloriesThermochemical"/"Moles"]|>, "8563" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[51.3, "KilocaloriesThermochemical"/"Moles"]|>, "8564" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[52.3, "KilocaloriesThermochemical"/"Moles"]|>, "8565" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[53.2, "KilocaloriesThermochemical"/"Moles"]|>, "8566" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[60.1, "KilocaloriesThermochemical"/"Moles"]|>, "8567" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[64.2, "KilocaloriesThermochemical"/"Moles"]|>, "8568" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[42.9, "KilocaloriesThermochemical"/"Moles"]|>, "8569" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[84.2, "KilocaloriesThermochemical"/"Moles"]|>, "8570" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[112.5, "KilocaloriesThermochemical"/"Moles"]|>, "8571" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[63.2, "KilocaloriesThermochemical"/"Moles"]|>, "8572" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[40.2, "KilocaloriesThermochemical"/"Moles"]|>, "8573" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[51.7, "KilocaloriesThermochemical"/"Moles"]|>, "8574" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[74.6, "KilocaloriesThermochemical"/"Moles"]|>, "8575" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[160.5, "KilocaloriesThermochemical"/"Moles"]|>, "8576" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[71.9, "KilocaloriesThermochemical"/"Moles"]|>, "8577" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8578" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[22.1, "KilocaloriesThermochemical"/"Moles"]|>, "8579" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[44.5, "KilocaloriesThermochemical"/"Moles"]|>, "8580" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[26.6, "KilocaloriesThermochemical"/"Moles"]|>, "8581" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[34.3, "KilocaloriesThermochemical"/"Moles"]|>, "8582" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[15.4, "KilocaloriesThermochemical"/"Moles"]|>, "8583" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[41.3, "KilocaloriesThermochemical"/"Moles"]|>, "8584" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[40.2, "KilocaloriesThermochemical"/"Moles"]|>, "8585" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[35., "KilocaloriesThermochemical"/"Moles"]|>, "8586" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[51.1, "KilocaloriesThermochemical"/"Moles"]|>, "8587" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[35.8, "KilocaloriesThermochemical"/"Moles"]|>, "8588" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[38.2, "KilocaloriesThermochemical"/"Moles"]|>, "8589" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[22.6, "KilocaloriesThermochemical"/"Moles"]|>, "8590" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[17.5, "KilocaloriesThermochemical"/"Moles"]|>, "8591" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[43.5, "KilocaloriesThermochemical"/"Moles"]|>, "8592" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[53.3, "KilocaloriesThermochemical"/"Moles"]|>, "8593" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8594" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8595" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[67.1, "KilocaloriesThermochemical"/"Moles"]|>, "8596" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[55.6, "KilocaloriesThermochemical"/"Moles"]|>, "8597" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[56.4, "KilocaloriesThermochemical"/"Moles"]|>, "8598" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[57.5, "KilocaloriesThermochemical"/"Moles"]|>, "8599" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[58.4, "KilocaloriesThermochemical"/"Moles"]|>, "8600" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[51.4, "KilocaloriesThermochemical"/"Moles"]|>, "8601" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[52.1, "KilocaloriesThermochemical"/"Moles"]|>, "8602" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[63.4, "KilocaloriesThermochemical"/"Moles"]|>, "8603" -> <|"IsolatedSProteinVinaScore" -> Quantity[-1.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[207.2, "KilocaloriesThermochemical"/"Moles"]|>, "8604" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8605" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[156.2, "KilocaloriesThermochemical"/"Moles"]|>, "8606" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[224.4, "KilocaloriesThermochemical"/"Moles"]|>, "8607" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8608" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[147.2, "KilocaloriesThermochemical"/"Moles"]|>, "8609" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8610" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[177.4, "KilocaloriesThermochemical"/"Moles"]|>, "8611" -> <|"IsolatedSProteinVinaScore" -> Quantity[-0.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[251.7, "KilocaloriesThermochemical"/"Moles"]|>, "8612" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8613" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8614" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8615" -> <|"IsolatedSProteinVinaScore" -> Quantity[-0.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[253., "KilocaloriesThermochemical"/"Moles"]|>, "8616" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[223.5, "KilocaloriesThermochemical"/"Moles"]|>, "8617" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8618" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8619" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8620" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8621" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[48.4, "KilocaloriesThermochemical"/"Moles"]|>, "8622" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[39.6, "KilocaloriesThermochemical"/"Moles"]|>, "8623" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[37., "KilocaloriesThermochemical"/"Moles"]|>, "8624" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[54.3, "KilocaloriesThermochemical"/"Moles"]|>, "8625" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8626" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[99., "KilocaloriesThermochemical"/"Moles"]|>, "8627" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[46.4, "KilocaloriesThermochemical"/"Moles"]|>, "8628" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[74., "KilocaloriesThermochemical"/"Moles"]|>, "8629" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[45.6, "KilocaloriesThermochemical"/"Moles"]|>, "8630" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8631" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8632" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8633" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8634" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8635" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8636" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[61.7, "KilocaloriesThermochemical"/"Moles"]|>, "8637" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[47.3, "KilocaloriesThermochemical"/"Moles"]|>, "8638" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[64.6, "KilocaloriesThermochemical"/"Moles"]|>, "8639" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8640" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8641" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[59.2, "KilocaloriesThermochemical"/"Moles"]|>, "8642" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[250.6, "KilocaloriesThermochemical"/"Moles"]|>, "8643" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[54.4, "KilocaloriesThermochemical"/"Moles"]|>, "8644" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[58.4, "KilocaloriesThermochemical"/"Moles"]|>, "8645" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[69.7, "KilocaloriesThermochemical"/"Moles"]|>, "8646" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[98.6, "KilocaloriesThermochemical"/"Moles"]|>, "8647" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[59.6, "KilocaloriesThermochemical"/"Moles"]|>, "8648" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[63.2, "KilocaloriesThermochemical"/"Moles"]|>, "8649" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[66.6, "KilocaloriesThermochemical"/"Moles"]|>, "8650" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[62.2, "KilocaloriesThermochemical"/"Moles"]|>, "8651" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[99.6, "KilocaloriesThermochemical"/"Moles"]|>, "8652" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[175.6, "KilocaloriesThermochemical"/"Moles"]|>, "8653" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[56.9, "KilocaloriesThermochemical"/"Moles"]|>, "8654" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[58.5, "KilocaloriesThermochemical"/"Moles"]|>, "8655" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[44.9, "KilocaloriesThermochemical"/"Moles"]|>, "8656" -> <|"IsolatedSProteinVinaScore" -> Quantity[-5.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[54., "KilocaloriesThermochemical"/"Moles"]|>, "8657" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[53.2, "KilocaloriesThermochemical"/"Moles"]|>, "8658" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[57.3, "KilocaloriesThermochemical"/"Moles"]|>, "8659" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[90.5, "KilocaloriesThermochemical"/"Moles"]|>, "8660" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[60.7, "KilocaloriesThermochemical"/"Moles"]|>, "8661" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[50.4, "KilocaloriesThermochemical"/"Moles"]|>, "8662" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[52.6, "KilocaloriesThermochemical"/"Moles"]|>, "8663" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[47.6, "KilocaloriesThermochemical"/"Moles"]|>, "8664" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[66., "KilocaloriesThermochemical"/"Moles"]|>, "8665" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[81.2, "KilocaloriesThermochemical"/"Moles"]|>, "8666" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[53.8, "KilocaloriesThermochemical"/"Moles"]|>, "8667" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[79.5, "KilocaloriesThermochemical"/"Moles"]|>, "8668" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[92.1, "KilocaloriesThermochemical"/"Moles"]|>, "8669" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[67.4, "KilocaloriesThermochemical"/"Moles"]|>, "8670" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[132.8, "KilocaloriesThermochemical"/"Moles"]|>, "8671" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[52.3, "KilocaloriesThermochemical"/"Moles"]|>, "8672" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8673" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8674" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8675" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8676" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8677" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8678" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8679" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8680" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8681" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8682" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8683" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8684" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8685" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8686" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8687" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8688" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8689" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[62., "KilocaloriesThermochemical"/"Moles"]|>, "8690" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[82.9, "KilocaloriesThermochemical"/"Moles"]|>, "8691" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[148.3, "KilocaloriesThermochemical"/"Moles"]|>, "8692" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[120.8, "KilocaloriesThermochemical"/"Moles"]|>, "8693" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[93.7, "KilocaloriesThermochemical"/"Moles"]|>, "8694" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[273.1, "KilocaloriesThermochemical"/"Moles"]|>, "8695" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[73.4, "KilocaloriesThermochemical"/"Moles"]|>, "8696" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[106., "KilocaloriesThermochemical"/"Moles"]|>, "8697" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[108.7, "KilocaloriesThermochemical"/"Moles"]|>, "8698" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[94.7, "KilocaloriesThermochemical"/"Moles"]|>, "8699" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[81., "KilocaloriesThermochemical"/"Moles"]|>, "8700" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[120.1, "KilocaloriesThermochemical"/"Moles"]|>, "8701" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[143.7, "KilocaloriesThermochemical"/"Moles"]|>, "8702" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[125.7, "KilocaloriesThermochemical"/"Moles"]|>, "8703" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[113.5, "KilocaloriesThermochemical"/"Moles"]|>, "8704" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[68.2, "KilocaloriesThermochemical"/"Moles"]|>, "8705" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[84.9, "KilocaloriesThermochemical"/"Moles"]|>, "8706" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[111.5, "KilocaloriesThermochemical"/"Moles"]|>, "8707" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[126., "KilocaloriesThermochemical"/"Moles"]|>, "8708" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[87.1, "KilocaloriesThermochemical"/"Moles"]|>, "8709" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[126.2, "KilocaloriesThermochemical"/"Moles"]|>, "8710" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[104.1, "KilocaloriesThermochemical"/"Moles"]|>, "8711" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[90.4, "KilocaloriesThermochemical"/"Moles"]|>, "8712" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.8, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[114.6, "KilocaloriesThermochemical"/"Moles"]|>, "8713" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[70.2, "KilocaloriesThermochemical"/"Moles"]|>, "8714" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[140.8, "KilocaloriesThermochemical"/"Moles"]|>, "8715" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[79.7, "KilocaloriesThermochemical"/"Moles"]|>, "8716" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8717" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8718" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[84.8, "KilocaloriesThermochemical"/"Moles"]|>, "8719" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[111.4, "KilocaloriesThermochemical"/"Moles"]|>, "8720" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[124.5, "KilocaloriesThermochemical"/"Moles"]|>, "8721" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[79.5, "KilocaloriesThermochemical"/"Moles"]|>, "8722" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[74.4, "KilocaloriesThermochemical"/"Moles"]|>, "8723" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8724" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[128.7, "KilocaloriesThermochemical"/"Moles"]|>, "8725" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.5, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[83.4, "KilocaloriesThermochemical"/"Moles"]|>, "8726" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[153.5, "KilocaloriesThermochemical"/"Moles"]|>, "8727" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[149.1, "KilocaloriesThermochemical"/"Moles"]|>, "8728" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[165.4, "KilocaloriesThermochemical"/"Moles"]|>, "8729" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4., "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[169.7, "KilocaloriesThermochemical"/"Moles"]|>, "8730" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8731" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8732" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8733" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8734" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8735" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[170.7, "KilocaloriesThermochemical"/"Moles"]|>, "8736" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8737" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8738" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8739" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8740" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.2, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[69.4, "KilocaloriesThermochemical"/"Moles"]|>, "8741" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8742" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[110.8, "KilocaloriesThermochemical"/"Moles"]|>, "8743" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[126.2, "KilocaloriesThermochemical"/"Moles"]|>, "8744" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8745" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[91.1, "KilocaloriesThermochemical"/"Moles"]|>, "8746" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8747" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8748" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[84.4, "KilocaloriesThermochemical"/"Moles"]|>, "8749" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[68.4, "KilocaloriesThermochemical"/"Moles"]|>, "8750" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[74.3, "KilocaloriesThermochemical"/"Moles"]|>, "8751" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[125., "KilocaloriesThermochemical"/"Moles"]|>, "8752" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[90.9, "KilocaloriesThermochemical"/"Moles"]|>, "8753" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8754" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[113.3, "KilocaloriesThermochemical"/"Moles"]|>, "8755" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[87.8, "KilocaloriesThermochemical"/"Moles"]|>, "8756" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8757" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8758" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8759" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[91., "KilocaloriesThermochemical"/"Moles"]|>, "8760" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8761" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8762" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8763" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8764" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8765" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[91.5, "KilocaloriesThermochemical"/"Moles"]|>, "8766" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8767" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8768" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8769" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[90.6, "KilocaloriesThermochemical"/"Moles"]|>, "8770" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8771" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8772" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8773" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[92.5, "KilocaloriesThermochemical"/"Moles"]|>, "8774" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[92.9, "KilocaloriesThermochemical"/"Moles"]|>, "8775" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[101.3, "KilocaloriesThermochemical"/"Moles"]|>, "8776" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8777" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8778" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[120.7, "KilocaloriesThermochemical"/"Moles"]|>, "8779" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[60.8, "KilocaloriesThermochemical"/"Moles"]|>, "8780" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8781" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8782" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8783" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8784" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8785" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8786" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8787" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8788" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8789" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8790" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8791" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8792" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8793" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8794" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[75.3, "KilocaloriesThermochemical"/"Moles"]|>, "8795" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8796" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[93.4, "KilocaloriesThermochemical"/"Moles"]|>, "8797" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[92.9, "KilocaloriesThermochemical"/"Moles"]|>, "8798" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8799" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8800" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8801" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8802" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8803" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[106.8, "KilocaloriesThermochemical"/"Moles"]|>, "8804" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8805" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8806" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[214.7, "KilocaloriesThermochemical"/"Moles"]|>, "8807" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8808" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8809" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8810" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8811" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8812" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8813" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8814" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8815" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8816" -> <|"IsolatedSProteinVinaScore" -> Quantity[-0.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[248.9, "KilocaloriesThermochemical"/"Moles"]|>, "8817" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8818" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[216.3, "KilocaloriesThermochemical"/"Moles"]|>, "8819" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8820" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8821" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8822" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8823" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8824" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8825" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[77.6, "KilocaloriesThermochemical"/"Moles"]|>, "8826" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8827" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8828" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8829" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[91.3, "KilocaloriesThermochemical"/"Moles"]|>, "8830" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8831" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8832" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8833" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8834" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8835" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8836" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[9.7, "KilocaloriesThermochemical"/"Moles"]|>, "8837" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8838" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8839" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8840" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8841" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8842" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8843" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8844" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8845" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8846" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8847" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8848" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8849" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8850" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8851" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8852" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8853" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8854" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8855" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8856" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8857" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8858" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8859" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8860" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8861" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8862" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8863" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8864" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8865" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8866" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8867" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8868" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8869" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8870" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8871" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8872" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8873" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8874" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8875" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8876" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8877" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8878" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8879" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8880" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8881" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8882" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8883" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8884" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8885" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8886" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8887" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8888" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8889" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8890" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8891" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8892" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8893" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8894" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8895" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8896" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8897" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8898" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8899" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8900" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8901" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8902" -> <|"IsolatedSProteinVinaScore" -> Quantity[-2.7, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[278.2, "KilocaloriesThermochemical"/"Moles"]|>, "8903" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8904" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8905" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8906" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8907" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8908" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8909" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8910" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8911" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8912" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8913" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8914" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8915" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8916" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8917" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8918" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8919" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8920" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8921" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8922" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.9, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[12.1, "KilocaloriesThermochemical"/"Moles"]|>, "8923" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.3, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[17., "KilocaloriesThermochemical"/"Moles"]|>, "8924" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8925" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8926" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8927" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8928" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8929" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.1, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[27.3, "KilocaloriesThermochemical"/"Moles"]|>, "8930" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[306.3, "KilocaloriesThermochemical"/"Moles"]|>, "8931" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[423.6, "KilocaloriesThermochemical"/"Moles"]|>, "8932" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[301.5, "KilocaloriesThermochemical"/"Moles"]|>, "8933" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[324.8, "KilocaloriesThermochemical"/"Moles"]|>, "8934" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8935" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8936" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8937" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[312.6, "KilocaloriesThermochemical"/"Moles"]|>, "8938" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[313.6, "KilocaloriesThermochemical"/"Moles"]|>, "8939" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8940" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[421.8, "KilocaloriesThermochemical"/"Moles"]|>, "8941" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[216.5, "KilocaloriesThermochemical"/"Moles"]|>, "8942" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[339.5, "KilocaloriesThermochemical"/"Moles"]|>, "8943" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[284.6, "KilocaloriesThermochemical"/"Moles"]|>, "8944" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8945" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[277.4, "KilocaloriesThermochemical"/"Moles"]|>, "8946" -> <|"IsolatedSProteinVinaScore" -> Quantity[-4.6, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[31.1, "KilocaloriesThermochemical"/"Moles"]|>, "8947" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8948" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8949" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8950" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8951" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8952" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8953" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8954" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8955" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8956" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8957" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8958" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8959" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8960" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8961" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8962" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8963" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8964" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8965" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8966" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8967" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8968" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8969" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8970" -> <|"IsolatedSProteinVinaScore" -> Quantity[-3.4, "KilocaloriesThermochemical"/"Moles"], "InterfaceDockingVinaScore" -> Quantity[14.8, "KilocaloriesThermochemical"/"Moles"]|>, "8971" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8972" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8973" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8974" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8975" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8976" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8977" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8978" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8979" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8980" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8981" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8982" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8983" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8984" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8985" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8986" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8987" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8988" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8989" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8990" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8991" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8992" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8993" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8994" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8995" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8996" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8997" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8998" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "8999" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9000" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9001" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9002" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9003" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9004" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9005" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9006" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9007" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9008" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9009" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9010" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9011" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9012" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9013" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9014" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9015" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9016" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9017" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9018" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9019" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9020" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9021" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9022" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9023" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9024" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9025" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9026" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9027" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9028" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9029" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9030" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9031" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9032" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9033" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9034" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9035" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9036" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9037" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9038" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9039" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9040" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9041" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9042" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9043" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9044" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9045" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9046" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9047" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9048" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9049" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9050" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9051" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[61., "KilocaloriesThermochemical"/"Moles"]|>, "9052" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[79.1, "KilocaloriesThermochemical"/"Moles"]|>, "9053" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[64.7, "KilocaloriesThermochemical"/"Moles"]|>, "9054" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[68.3, "KilocaloriesThermochemical"/"Moles"]|>, "9055" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[63.6, "KilocaloriesThermochemical"/"Moles"]|>, "9056" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Quantity[57.8, "KilocaloriesThermochemical"/"Moles"]|>, "9057" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9058" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9059" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9060" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9061" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9062" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9063" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9064" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9065" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9066" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9067" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9068" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9069" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9070" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9071" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9072" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9073" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9074" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9075" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9076" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9077" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9078" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9079" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9080" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9081" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9082" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9083" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9084" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9085" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9086" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9087" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9088" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9089" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9090" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9091" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9092" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9093" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9094" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9095" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9096" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9097" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9098" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9099" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9100" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9101" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9102" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9103" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9104" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9105" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9106" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9107" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9108" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9109" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9110" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9111" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9112" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9113" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9114" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9115" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9116" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9117" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9118" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9119" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9120" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9121" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9122" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9123" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9124" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9125" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9126" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>, "9127" -> <|"IsolatedSProteinVinaScore" -> Missing["NotAvailable"], "InterfaceDockingVinaScore" -> Missing["NotAvailable"]|>|>