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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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391658 135007915 1 O4C27H36 A4B27C36 -116.36 3.53 -8.63 0.33 0
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391659 135007929 1 ClSi2N4C27H51 AB2C4D27E51 -150.25 4.43 -7.57 0.44 0
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391660 135007946 1 NO5H27C29 AB5C27D29 -116.68 3.47 -8.7 -0.24 0
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391661 135007981 1 SeN2C9H19 AB2C9D19 17.31 3.88 0.0 0.0 1
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391662 135008043 1 OSeN2C20H21 ABC2D20E21 21.76 4.86 0.0 0.0 0
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391663 135008045 1 ClHgNSO4H14C17 ABCDE4F14G17 -18.95 17.26 -7.16 -2.19 0
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391664 135008046 1 ClN2O2C15H19 AB2C2D15E19 -87.99 4.31 -8.4 -0.23 0
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391665 135008052 1 NSO3C21H25 ABC3D21E25 -97.17 4.92 -8.62 -0.63 0
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391666 135008053 1 NO3C15H25 AB3C15D25 -133.52 4.51 -9.27 0.76 0
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391667 135008069 1 BrSi2N4C23H47 AB2C4D23E47 -145.3 2.05 -6.98 -0.03 0
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391668 135008070 1 ClSi2N4C23H51 AB2C4D23E51 -182.47 3.5 -7.4 0.55 0
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391669 135008071 1 BrSiN2C16H35 ABC2D16E35 -130.02 2.95 -8.23 0.87 0
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391671 135008074 1 Si3N6C16H40 A3B6C16D40 -123.41 4.61 -7.98 0.46 0
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391672 135008078 1 BClSi2O3C18H38 ABC2D3E18F38 -354.57 3.53 -8.65 0.23 0
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391673 135008081 1 NOC20H25 ABC20D25 3.41 2.18 -8.0 0.34 0
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391674 135008082 1 N2O4C21H24 A2B4C21D24 -122.23 2.25 -8.61 -0.81 1
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391675 135008186 1 IOSe2N3C38H41 ABC2D3E38F41 89.19 3.02 0.0 0.0 0
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391676 135008187 1 FN2O4C21H23 AB2C4D21E23 -146.23 3.7 -9.48 -0.61 0
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391677 135008192 1 BrSi2N4C26H57 AB2C4D26E57 -187.81 4.06 -7.4 0.39 0
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391678 135008202 1 NSO2C21H21 ABC2D21E21 -24.46 7.06 -8.95 -0.31 0
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391679 135008217 1 NO3C15H23 AB3C15D23 -154.32 2.79 -8.9 0.22 0
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391680 135008265 1 ClSiC23H43 ABC23D43 -83.32 2.55 -8.96 0.9 0
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391681 135008309 1 N2O3C20H26 A2B3C20D26 -113.21 3.91 -9.0 -0.84 0
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391682 135008310 1 NO4C11H19 AB4C11D19 -186.86 1.94 -10.24 -0.01 0
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391683 135008313 1 NSH15C16 ABC15D16 68.19 4.15 -8.18 0.0 0
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391684 135008316 1 N2F3O5H11C14 A2B3C5D11E14 -249.21 5.14 -9.61 -1.15 0
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391685 135008321 1 OCl3H9C16 AB3C9D16 32.72 3.14 -9.32 -1.46 0
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391686 135008329 4 NSiC6H9 ABC6D9 -44.88 1.56 -8.11 0.48 0
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391687 135008336 1 FeNWO5H29C35 ABCD5E29F35 235.87 23.85 -5.27 -2.27 0
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391688 135008340 1 OSiC20H30 ABC20D30 -38.32 2.77 -8.89 0.32 0
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391689 135008341 1 O5C38H48 A5B38C48 -129.66 5.79 -8.77 0.22 0
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391690 135008343 2 C11H14 A11B14 4.81 1.81 -8.87 0.57 0
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391691 135008344 1 FPPdSiO2C27H46 ABCDE2F27G46 -149.0 13.29 -5.45 0.54 0
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391692 135008346 1 SeSiN2O2C23H33 ABC2D2E23F33 -61.66 3.81 0.0 0.0 0
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391693 135008351 1 ClSeSiN2O2C21H28 ABCD2E2F21G28 -28.0 4.13 0.0 0.0 0
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391694 135008407 1 LiNSO2H12C15 ABCD2E12F15 -13.8 6.4 -7.41 -0.73 0
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391695 135008433 1 NO2C15H15 AB2C15D15 -29.51 7.8 -9.08 -0.29 0
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391696 135008437 1 NOC17H23 ABC17D23 -29.52 1.85 -8.44 0.12 0
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391697 135008442 2 OH6C8 AB6C8 12.97 2.73 -9.14 -1.07 0
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391698 135008443 2 OC8H11 AB8C11 -74.75 2.7 -9.76 -0.49 0
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391699 135008451 1 NSO2H19C20 ABC2D19E20 -30.98 3.66 -8.26 -0.12 0
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391700 135008454 2 H10C11 A10B11 120.04 0.68 -8.79 -0.52 0
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391701 135008528 1 SnN2C14H16 AB2C14D16 81.04 6.89 -8.95 0.19 0
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391702 135008582 1 O11C22H26 A11B22C26 -475.48 3.72 -9.96 -0.67 0
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391703 135008687 1 NOSiC17H27 ABCD17E27 -94.68 3.51 -8.32 0.12 0
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391704 135008695 1 NF3O6C14H16 AB3C6D14E16 -324.04 5.09 -10.67 -1.77 0
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391705 135008716 1 N2O3C24H34 A2B3C24D34 -126.09 4.0 -8.85 -0.84 0
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391706 135008800 1 NC18H23 AB18C23 16.43 1.41 -8.25 0.15 0
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391707 135008809 1 SiO2C24H34 AB2C24D34 -63.97 1.92 -8.72 -0.07 0
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391708 135008819 1 SiO4C36H50 AB4C36D50 -197.59 5.26 -8.79 0.25 0
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391709 135008823 1 O2C25H28 A2B25C28 -14.54 1.8 -8.57 0.08 0
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391710 135008829 2 NOC9H13 ABC9D13 -50.17 8.2 -7.53 -0.3 2
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391712 135008862 1 NO2H13C14 AB2C13D14 -24.98 3.97 -8.88 -0.78 0
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391713 135008870 2 NC8H8 AB8C8 55.07 5.16 -8.27 -0.44 0
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391714 135008871 1 SN2O2H5C8F9 AB2C2D5E8F9 -492.68 6.07 -8.98 -1.05 0
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391715 135008874 1 ON3H9C15 AB3C9D15 115.64 7.21 -9.03 -1.78 0
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391716 135008876 1 N2O3C20H24 A2B3C20D24 -61.68 4.82 -9.16 -1.24 0
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391717 135008882 1 NO2H17C21 AB2C17D21 -12.2 4.89 -8.61 -0.86 0
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391718 135008890 1 ClH17C21 AB17C21 117.89 2.02 -9.04 -0.6 0
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391719 135008891 1 H16C21 A16B21 160.22 0.63 -8.88 -0.56 0
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391720 135008892 1 SeN3H10C14 AB3C10D14 139.41 3.2 0.0 0.0 0
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391721 135008893 1 SeN2O18C29H39 AB2C18D29E39 -740.95 6.23 0.0 0.0 0
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391722 135008895 1 ISeSiN2O2C24H35 ABCD2E2F24G35 -77.89 3.75 -8.74 -1.49 0
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391723 135008944 1 N2O4C15H20 A2B4C15D20 -169.74 5.2 -9.9 -0.11 0
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391724 135008949 1 ON2C27H30 AB2C27D30 36.94 2.11 -8.63 -0.66 1
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391725 135008955 1 NOC15H20 ABC15D20 -18.39 2.96 0.0 0.0 0
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391726 135008959 1 NSO4C30H33 ABC4D30E33 -84.09 5.48 -9.05 -0.4 0
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391727 135008969 1 IO4C21H23 AB4C21D23 -122.39 4.96 -9.42 -0.85 0
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391728 135008970 1 O2C29H36 A2B29C36 -38.37 1.97 -8.42 0.19 0
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391729 135008984 1 N2O2Se2C39H54 A2B2C2D39E54 -82.69 9.67 -7.88 -0.98 1
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391730 135008985 1 N2O2Se2C39H55 A2B2C2D39E55 -88.57 7.12 0.0 0.0 0
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391731 135008986 1 OF2N2C12H12 AB2C2D12E12 -86.67 3.89 -8.69 -0.78 0
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391732 135009043 1 NSSiO3C23H31 ABCD3E23F31 -138.16 8.76 -8.3 -0.26 0
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391733 135009063 1 ClN2O3C25H25 AB2C3D25E25 -37.75 3.66 -8.32 -0.36 0
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391734 135009064 1 NPC15H18 ABC15D18 18.87 2.62 -8.29 -0.72 0
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391735 135009098 1 ClS2N3C24H28 AB2C3D24E28 48.26 4.74 -8.31 -0.74 0
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391736 135009099 1 ClS2N3C24H30 AB2C3D24E30 30.21 3.78 -8.41 -0.55 0
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391737 135009117 1 N2O3H18C19 A2B3C18D19 13.04 4.27 -8.83 -1.08 0
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391738 135009118 1 BrNO6C18H20 ABC6D18E20 -227.42 3.88 -9.23 -0.25 0
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391739 135009123 1 O4C13H14 A4B13C14 -137.27 4.99 -9.59 -0.54 0
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391740 135009124 2 NOH9C11 ABC9D11 72.13 3.73 -8.95 -1.11 0
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391741 135009125 1 NOH15C20 ABC15D20 49.8 3.34 -8.8 -0.52 0
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391742 135009126 1 NF2O7H17C21 AB2C7D17E21 -167.08 5.37 -8.85 -1.23 0
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391743 135009127 1 NSO6C21H27 ABC6D21E27 -222.72 6.76 -9.28 -0.77 1
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391744 135009166 1 NO2H6C9 AB2C6D9 2.34 4.5 0.0 0.0 0
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391745 135009191 1 NSC9H15 ABC9D15 29.35 0.87 -8.44 0.21 0
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391746 135009193 2 OC5H8 AB5C8 -76.27 1.85 -10.26 -0.19 0
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391747 135009195 1 SiO5C25H28 AB5C25D28 -210.98 1.83 -8.99 -1.51 0
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391748 135009196 1 N2O7H20C21 A2B7C20D21 -239.4 2.67 -9.33 -0.88 0
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391749 135009198 1 N3O5H45C52 A3B5C45D52 28.15 5.65 -8.18 -0.95 -1
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391750 135009199 1 N3O5H40C41 A3B5C40D41 13.42 3.77 0.0 0.0 0
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391751 135009200 1 N3O5C41H41 A3B5C41D41 -9.01 3.16 -8.67 -0.24 0
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391752 135009203 1 O6C15H22 A6B15C22 -263.86 3.38 -9.81 0.06 0
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391753 135009206 1 NO5C14H15 AB5C14D15 -112.52 5.19 -10.22 -1.36 0
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391754 135009211 2 O2C9H13 A2B9C13 -188.03 5.29 -9.21 0.0 0
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391755 135009247 1 O4H28C47 A4B28C47 141.49 8.06 -8.57 -1.52 1
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391756 135009254 1 O4C19H27 A4B19C27 -130.14 4.18 0.0 0.0 0
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391757 135009258 2 O2C9H12 A2B9C12 -177.57 3.02 -8.56 0.11 0
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391758 135009307 1 O3C20H28 A3B20C28 -115.51 4.76 -8.58 0.05 0
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391759 135009311 1 ClN2C5H9 AB2C5D9 35.23 4.15 -10.26 -1.19 1