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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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144649 53392733 1 O8H14C17 A8B14C17 -274.99 4.66 -9.23 -0.98 0
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144650 53393050 1 ON4H22C25 AB4C22D25 92.26 7.73 -9.05 -1.1 0
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144651 53393433 1 ON2S2C17H24 AB2C2D17E24 17.54 1.56 -8.92 -0.25 0
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144652 53393801 1 ON3H11C19 AB3C11D19 90.15 1.79 -9.53 -1.55 0
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144653 53393910 1 ClFO2N4C18H24 ABC2D4E18F24 -122.15 5.87 -9.0 -0.24 0
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144654 53394225 1 F3O5C24H31 A3B5C24D31 -378.06 5.74 -9.94 -0.63 0
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144655 53394257 1 O3C22H32 A3B22C32 -94.1 5.56 -9.46 -0.18 1
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144656 53394308 1 NPO10C33H61 ABC10D33E61 -534.87 15.51 0.0 0.0 -3
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144657 53394309 1 P3O19C25H46 A3B19C25D46 -893.73 7.48 0.0 0.0 0
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144660 53394777 1 ClFNC8H9 ABCD8E9 -40.57 2.76 -9.49 -0.55 0
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144661 53394872 1 FNO4C28H34 ABC4D28E34 -208.09 9.89 -8.06 -0.17 0
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144662 53394990 1 SN2O5C23H26 AB2C5D23E26 -178.5 5.93 -8.84 -0.74 0
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144663 53394991 1 PN5O14C23H34 AB5C14D23E34 -618.43 11.49 -9.17 -0.9 0
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144664 53395035 1 NO5C12H17 AB5C12D17 -209.4 6.34 -9.84 -0.18 0
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144666 53395092 1 ClNOC10H18 ABCD10E18 -63.38 5.98 -9.4 0.78 1
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144667 53395446 1 MgO2F3H4C5 AB2C3D4E5 -248.79 5.23 0.0 0.0 0
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144668 53395467 1 HIC4F6 ABC4D6 -270.23 1.89 -10.36 -1.77 0
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144669 53395517 1 NSO2C16H17 ABC2D16E17 -17.96 5.11 -9.46 -0.53 0
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144670 53395845 1 ClO4H15C17 AB4C15D17 -113.46 5.0 -9.4 -1.64 0
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144671 53395921 1 ClO6C15H17 AB6C15D17 -222.82 7.92 -9.27 -0.73 0
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144672 53395993 1 SiO2N3C12H19 AB2C3D12E19 -82.21 2.2 -9.22 -0.69 0
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144673 53396006 1 ClO2N3C26H26 AB2C3D26E26 -12.52 5.28 -9.18 -0.3 0
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144674 53396007 1 S2N13O14C47H67 A2B13C14D47E67 -622.46 13.94 -9.23 -1.97 0
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144675 53396008 1 SO7C39H42 AB7C39D42 -204.85 2.51 -8.85 -0.27 0
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144676 53396009 1 O2N3C10H13 A2B3C10D13 -31.61 2.17 -8.28 -0.55 0
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144677 53396681 1 ClNOC8H8 ABCD8E8 18.46 4.8 -9.46 -0.44 0
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144678 53396682 1 BrNO2C6H6 ABC2D6E6 2.07 2.43 -8.9 -0.8 0
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144679 53397101 1 O4H28C33 A4B28C33 -73.34 1.06 -9.26 -0.31 0
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144680 53398027 1 BFSO2H6C8 ABCD2E6F8 -161.86 2.05 -9.04 -0.83 0
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144681 53398130 1 ClN2O4C12H15 AB2C4D12E15 -111.53 5.51 -10.27 -1.78 0
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144682 53399053 1 N2O3C14H18 A2B3C14D18 -72.67 4.88 -8.89 -1.7 0
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144683 53399054 1 ClNO2C15H16 ABC2D15E16 -84.77 8.22 -9.2 -0.78 0
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144684 53399055 1 NO2Cl3C11H12 AB2C3D11E12 -115.3 8.67 -9.9 -0.82 0
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144685 53399483 1 NO2H15C16 AB2C15D16 -13.26 1.46 -8.02 0.13 0
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144686 53399618 1 BrNO3H12C16 ABC3D12E16 -51.07 4.3 -8.77 -0.75 0
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144687 53399668 1 N2O3C12H14 A2B3C12D14 -25.19 7.76 -8.98 -0.94 0
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144688 53399669 1 NOC10H17 ABC10D17 -37.13 1.93 -7.83 0.41 0
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144689 53399727 1 NO4H11C15 AB4C11D15 -105.06 4.15 -10.32 -1.24 1
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144690 53399841 1 O4N5C21H22 A4B5C21D22 -26.11 2.34 0.0 0.0 0
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144691 53399842 2 ON2C11H12 AB2C11D12 -17.59 0.48 -9.2 -0.79 0
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144692 53399855 1 O2N3C21H31 A2B3C21D31 -100.6 6.21 -9.41 -0.16 0
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144693 53400300 1 NO2F3C9H10 AB2C3D9E10 -212.25 10.73 -10.27 -1.56 0
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144694 53400301 2 OC4H4 AB4C4 -34.11 1.52 -8.99 -0.09 0
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144695 53400302 1 NOH13C15 ABC13D15 40.92 3.17 -9.8 -0.24 0
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144696 53400303 1 ClN2F3H4C8 AB2C3D4E8 -80.78 1.69 -10.18 -1.86 -1
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144697 53400304 1 OH4C6 AB4C6 79.34 4.27 -9.01 -2.1 0
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144698 53400305 1 OSH3C4Cl5 ABC3D4E5 0.15 4.56 -9.98 -3.24 0
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144699 53400306 2 NC4H4 AB4C4 74.49 4.0 -9.63 -0.92 0
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144700 53400383 2 Cl2N2C3H13 A2B2C3D13 -194.06 6.05 -9.66 1.51 0
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144701 53400437 2 O2C5H6 A2B5C6 -143.57 4.33 -9.01 -0.08 0
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144702 53400615 1 Cl2O3H6C8 A2B3C6D8 -110.06 1.89 -9.93 -0.87 0
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144703 53400616 1 ClF2N2C6H7 AB2C2D6E7 -42.69 3.68 -9.72 -0.78 1
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144704 53400617 1 NOSCl2C11H18 ABCD2E11F18 -39.45 4.07 0.0 0.0 0
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144705 53400618 1 SO2H20C22 AB2C20D22 -22.85 2.51 -8.98 -0.41 -2
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144706 53400619 1 NO9C26H31 AB9C26D31 -275.63 5.86 -8.58 -0.61 0
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144707 53400630 2 OC8H17 AB8C17 -167.09 0.71 -10.18 2.72 0
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144708 53401097 1 NO3C11H15 AB3C11D15 -122.14 2.89 -8.88 0.27 0
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144709 53401098 1 N3O3C10H11 A3B3C10D11 -55.66 3.49 -8.81 -0.82 0
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144710 53401188 2 NOC16H16 ABC16D16 34.08 0.8 -8.83 -1.36 0
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144711 53401514 1 BrN2H11C13 AB2C11D13 66.67 1.72 -8.44 -0.64 0
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144712 53401858 2 OC5H5 AB5C5 -52.63 5.39 -9.83 -0.38 -1
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144713 53402042 1 ClBr2C5H10 AB2C5D10 -27.32 0.91 0.0 0.0 0
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144714 53402346 1 ClN2C12H19 AB2C12D19 0.37 2.73 -9.05 -0.06 0
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144715 53402582 1 BrSN2H7C10 ABC2D7E10 73.0 6.72 -8.8 -1.43 0
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144716 53402806 1 ClFNOH7C8 ABCDE7F8 -74.21 4.78 -9.12 -0.68 0
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144717 53402807 1 ClNOC9H10 ABCD9E10 -38.51 5.67 -8.88 -0.38 0
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144718 53402808 1 ClNOF3H7C9 ABCD3E7F9 -191.93 4.22 -9.46 -0.83 0
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144719 53402809 1 ClFNOH7C8 ABCDE7F8 -75.06 4.23 -9.15 -0.68 0
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144720 53402810 1 ClNO2C9H10 ABC2D9E10 -67.97 3.36 -8.6 -0.54 0
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144721 53402987 1 BrO2H7C10 AB2C7D10 -32.01 2.14 -9.74 -1.07 0
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144722 53403089 1 ClNOC6H12 ABCD6E12 -63.99 2.1 -9.25 0.64 0
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144723 53403177 1 N2F3C13H17 A2B3C13D17 -148.48 1.21 -9.15 0.28 0
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144724 53403243 1 NO3C11H13 AB3C11D13 -124.92 4.25 -9.23 -0.55 0
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144725 53403244 1 ClNO2H10C11 ABC2D10E11 -63.17 1.51 -8.82 -0.89 0
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144726 53403245 1 ClFNO2H7C10 ABCD2E7F10 -98.0 2.04 -9.16 -1.18 0
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144727 53403246 1 ClSO5H7C10 ABC5D7E10 -156.17 7.86 -10.32 -1.72 0
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144728 53403247 1 NF3O4H14C15 AB3C4D14E15 -259.47 4.3 -9.94 -0.76 0
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144729 53403248 1 NO3C8H15 AB3C8D15 -142.65 2.51 -9.22 0.82 0
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144730 53403249 2 NOC6H8 ABC6D8 -80.85 2.17 -8.27 0.27 0
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144731 53403308 1 ClN3C12H14 AB3C12D14 34.47 2.82 -8.85 0.12 0
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144732 53404112 1 BrFC9H10 ABC9D10 -43.75 2.15 -9.5 -0.27 0
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144733 53404121 1 ClN3C10H10 AB3C10D10 48.19 2.61 -8.75 -0.14 0
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144735 53404495 1 O3C8H10 A3B8C10 -91.48 2.21 -9.21 -0.24 -2
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144736 53404902 1 NO4C21H29 AB4C21D29 -90.47 12.89 -10.04 -3.57 0
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144737 53405134 1 NO2H9C11 AB2C9D11 -30.73 1.52 -8.97 -0.77 0
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144738 53405135 1 NO2H9C11 AB2C9D11 -25.51 5.69 -8.27 -1.11 0
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144739 53405136 1 NO3H9C12 AB3C9D12 -64.36 1.92 -8.64 -1.72 0
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144740 53405223 1 OF3H5C8 AB3C5D8 -143.94 1.64 -10.03 -0.7 0
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144741 53405337 1 NOH13C16 ABC13D16 22.29 4.53 -8.85 -0.57 0
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144742 53405817 2 NOC11H12 ABC11D12 -31.13 6.34 -9.14 -0.98 0
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144743 53405818 1 N2O3C14H14 A2B3C14D14 -51.98 7.53 -9.28 -1.14 0
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144744 53405819 1 SO3H18C21 AB3C18D21 -37.86 5.18 -9.14 -0.79 0
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144746 53407088 2 NC8H9 AB8C9 39.73 2.44 -7.83 0.2 0
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144747 53407089 1 NSCl2O2H11C15 ABC2D2E11F15 -0.92 5.41 -9.54 -0.76 0
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144748 53407382 1 ClN2O2H9C13 AB2C2D9E13 22.06 8.3 -9.13 -1.42 0
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144749 53407396 1 ClN2O4H7C11 AB2C4D7E11 5.33 7.46 -10.66 -1.85 0
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144750 53407494 1 ClON2C9H11 ABC2D9E11 -12.06 3.01 -9.54 -0.28 0
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144751 53407530 1 ClN3O3C10H10 AB3C3D10E10 -15.29 5.32 -9.39 -1.97 0
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144752 53407763 1 BrIO2H8C9 ABC2D8E9 -48.38 1.59 -9.82 -1.35 0
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144753 53408139 1 BFNO2H7C8 ABCD2E7F8 -158.57 2.27 -8.91 -0.51 0