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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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381030 134971655 1 ON2C28H30 AB2C28D30 27.85 2.56 -7.16 0.28 0
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381031 134971656 1 ON2C30H32 AB2C30D32 38.68 2.52 -7.16 0.07 0
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381032 134971657 2 OC6H11 AB6C11 -107.75 1.58 -9.73 1.19 0
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381033 134971658 2 O3C11H19 A3B11C19 -314.4 3.65 -9.9 -0.41 0
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381034 134971659 2 FO2C9H10 AB2C9D10 -228.99 3.55 -9.5 -0.74 0
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381035 134971660 2 FO2C9H10 AB2C9D10 -228.06 3.01 -9.5 -0.42 0
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381036 134971661 4 O2C5H8 A2B5C8 -375.07 4.12 -10.17 0.04 0
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381037 134971662 1 O6C19H30 A6B19C30 -283.78 6.19 -10.17 0.19 0
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381038 134971663 1 O5C25H38 A5B25C38 -218.02 3.38 -9.38 0.27 0
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381039 134971666 1 ISiO2C7H13 ABC2D7E13 -98.27 3.18 -9.59 -0.79 1
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381040 134971667 1 S2C10H11 A2B10C11 38.62 1.37 0.0 0.0 0
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381041 134971668 2 O2C9H12 A2B9C12 -139.43 7.51 -8.93 -0.57 0
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381042 134971669 1 LiSiN2O3C16H27 ABC2D3E16F27 -186.9 6.52 -8.44 0.08 0
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381043 134971670 1 SiN2O3C16H28 AB2C3D16E28 -169.87 1.82 -8.9 0.07 1
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381044 134971671 1 O2N3C14H20 A2B3C14D20 -34.16 3.41 0.0 0.0 0
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381045 134971672 1 NO3H21C24 AB3C21D24 -35.81 6.95 -8.64 -0.32 0
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381046 134971673 1 NO3C18H23 AB3C18D23 -134.51 3.66 -9.33 0.38 0
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381047 134971674 1 NSiO4C21H35 ABC4D21E35 -234.49 4.98 -8.53 0.08 -1
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381048 134971675 1 OPH14C18 ABC14D18 70.26 4.45 0.0 0.0 0
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381049 134971676 1 OPH15C18 ABC15D18 49.24 1.58 -8.48 -0.6 0
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381050 134971677 1 OPH23C30 ABC23D30 85.68 1.57 -8.77 0.05 0
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381051 134971678 1 PH23C33 AB23C33 143.05 1.99 -8.74 -0.36 0
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381052 134971679 1 OPH23C30 ABC23D30 88.85 2.26 -8.64 0.08 0
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381053 134971680 1 BrClSi2N5O10C53H77 ABC2D5E10F53G77 -383.12 43.15 -6.18 -3.49 0
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381054 134971681 1 NO3C7H15 AB3C7D15 -153.05 3.77 -9.79 0.24 0
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381055 134971682 1 NO4C22H27 AB4C22D27 -129.0 4.39 -9.4 0.14 0
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381056 134971684 1 N5O7C38H67 A5B7C38D67 -406.99 9.15 -8.18 0.72 0
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381057 134971685 1 O3C17H26 A3B17C26 -87.54 4.2 -9.32 0.54 0
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381058 134971686 1 IOC11H21 ABC11D21 -79.71 3.52 -9.6 -0.6 0
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381059 134971687 1 IMgOC9H17 ABCD9E17 -6.52 3.2 -6.85 -1.72 0
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381060 134971689 3 OC7H10 AB7C10 -137.8 3.04 -8.79 0.4 0
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381061 134971690 1 O2H28C31 A2B28C31 14.86 0.89 -8.14 -0.59 0
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381062 134971691 1 FOSiN5C16H22 ABCD5E16F22 -23.81 3.46 -8.72 -1.45 0
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381063 134971693 1 O5C18H30 A5B18C30 -249.33 2.31 -9.83 0.38 0
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381064 134971694 1 C15H26 A15B26 -50.13 0.19 -10.22 3.7 0
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381065 134971695 1 BOPH18C20 ABCD18E20 129.84 5.23 -7.82 -0.39 1
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381066 134971696 1 BOPH19C20 ABCD19E20 120.47 4.8 0.0 0.0 0
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381067 134971697 10 NC3H3 AB3C3 255.31 9.83 -9.52 -0.46 0
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381068 134971698 1 SN3O6C24H31 AB3C6D24E31 -164.49 8.49 -9.3 -0.72 0
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381069 134971700 1 O3N5C21H33 A3B5C21D33 -51.56 0.59 -8.83 0.1 0
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381070 134971701 1 O2N5C28H47 A2B5C28D47 -108.9 3.09 -8.47 0.41 0
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381071 134971702 1 BrO4C5H7 AB4C5D7 -170.47 2.07 -10.94 -0.85 0
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381072 134971703 1 NSO3C8H11 ABC3D8E11 -110.17 1.45 -9.05 -0.44 0
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381073 134971704 1 O7C16H22 A7B16C22 -283.25 3.83 -9.83 0.15 0
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381074 134971706 1 O2H24C29 A2B24C29 4.76 1.67 -8.33 -0.66 0
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381075 134971707 1 O2Si2C41H52 A2B2C41D52 -6.46 0.61 -8.04 -0.27 0
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381076 134971708 1 SiO2C20H26 AB2C20D26 -120.33 2.78 -8.65 -0.94 -1
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381077 134971709 1 OC5H7 AB5C7 -6.62 4.0 0.0 0.0 0
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381078 134971711 1 N2O5C15H16 A2B5C15D16 -153.69 1.57 -9.74 -0.81 0
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381079 134971712 1 SiN2O7C20H40 AB2C7D20E40 -425.05 2.27 -9.15 0.42 0
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381080 134971713 1 LiNOH2C3 ABCD2E3 -9.27 3.01 -8.56 1.07 0
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381081 134971714 1 NOC3H3 ABC3D3 19.93 2.14 -9.69 0.0 0
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381083 134971718 2 BC2H2 AB2C2 182.83 1.57 -8.01 -0.5 0
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381084 134971719 1 B2H2C3 A2B2C3 192.98 2.87 -8.18 0.16 0
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381085 134971721 2 N2C7H15 A2B7C15 -11.86 1.88 -8.26 2.45 0
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381086 134971722 1 SO2N4C10H10 AB2C4D10E10 41.43 3.06 -8.87 -1.26 0
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381087 134971723 1 O2C13H22 A2B13C22 -74.36 3.43 -9.32 0.66 0
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381088 134971724 2 O5C28H29 A5B28C29 -247.05 4.34 -8.47 -0.17 0
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381089 134971725 1 O6H44C49 A6B44C49 -88.57 1.47 -8.59 -0.06 0
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381090 134971727 2 NO3C12H16 AB3C12D16 -264.06 6.18 -9.13 -0.68 0
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381091 134971729 1 N2O5C17H20 A2B5C17D20 -163.95 2.66 -9.32 -1.23 0
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381092 134971731 1 SC14H20 AB14C20 42.27 3.03 -8.02 0.47 0
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381093 134971733 1 SiO4C16H32 AB4C16D32 -230.77 1.74 -8.8 0.6 0
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381094 134971736 1 NC10H21 AB10C21 -21.36 1.41 -8.62 1.32 0
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381095 134971737 1 SiN2O5C27H30 AB2C5D27E30 -144.3 3.48 -9.06 -0.96 0
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381096 134971738 2 NOSC8H10 ABCD8E10 -32.95 5.35 -8.91 -1.18 0
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381097 134971739 1 NO2H13C17 AB2C13D17 -15.44 4.52 -8.26 -1.26 1
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381098 134971740 1 INO10C33H33 ABC10D33E33 -377.54 5.44 0.0 0.0 0
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381099 134971741 1 ClO6C11H21 AB6C11D21 -262.95 2.7 -9.76 -0.09 0
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381101 134971743 1 O2N4C11H24 A2B4C11D24 -110.79 4.62 -9.11 1.02 0
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381102 134971745 1 N4O6C31H40 A4B6C31D40 -240.58 3.67 -8.95 -0.51 0
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381103 134971746 1 O3N4H12C13 A3B4C12D13 74.98 8.21 -10.27 -1.4 1
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381104 134971747 1 O3N4C13H13 A3B4C13D13 87.99 5.31 0.0 0.0 1
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381105 134971748 1 O8C24H31 A8B24C31 -197.49 1.48 0.0 0.0 0
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381106 134971750 1 ON2C19H22 AB2C19D22 25.71 2.04 -9.47 0.02 0
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381107 134971751 1 ON2C19H20 AB2C19D20 54.85 1.67 -9.54 0.0 0
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381108 134971752 1 OC9H16 AB9C16 -64.03 2.26 -9.96 1.0 0
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381109 134971753 1 O2C13H16 A2B13C16 -41.96 2.31 -9.3 -0.05 -1
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381110 134971754 1 NO2C11H14 AB2C11D14 -26.53 3.96 0.0 0.0 0
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381111 134971756 1 SO6N7C30H41 AB6C7D30E41 -201.06 5.3 -9.04 -0.68 0
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381112 134971757 1 BCl2C7H11 AB2C7D11 -83.93 3.05 -9.45 -0.36 0
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381113 134971758 1 BO2C15H27 AB2C15D27 -157.15 1.66 -9.49 1.29 -1
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381114 134971761 1 RuC2H5O5 AB2C5D5 -64.28 1.57 0.0 0.0 0
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381115 134971762 1 NO4C9H13 AB4C9D13 -116.34 1.99 -9.96 -0.79 0
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381116 134971764 1 N4O4C21H44 A4B4C21D44 -251.21 4.15 -8.99 0.9 0
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381117 134971765 1 N5O7C38H67 A5B7C38D67 -405.4 9.71 -8.71 0.17 0
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381118 134971766 1 ON3C20H37 AB3C20D37 -97.44 2.56 -8.74 1.27 0
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381119 134971767 1 N4O4C39H64 A4B4C39D64 -263.36 1.11 -8.86 0.48 0
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381120 134971768 1 SO2N4C10H10 AB2C4D10E10 41.2 5.09 -9.12 -1.02 0
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381121 134971769 1 O2C13H22 A2B13C22 -93.7 2.0 -9.53 0.63 0
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381122 134971770 1 NOLi2C9H9 ABC2D9E9 -57.29 7.34 -7.31 0.84 0
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381123 134971771 1 NOLi2C9H9 ABC2D9E9 -58.26 6.22 -7.28 0.84 0
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381124 134971772 1 SC14H20 AB14C20 43.22 3.1 -7.86 0.47 0
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381125 134971773 1 NSO4C16H23 ABC4D16E23 -179.5 4.99 -9.64 -0.4 0
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381126 134971774 2 NO2C8H12 AB2C8D12 -186.47 2.4 -8.4 0.12 0
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381127 134971775 1 NO3C10H19 AB3C10D19 -137.89 2.62 -9.06 0.09 0
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381128 134971777 1 BrNO5C18H22 ABC5D18E22 -187.92 4.71 -9.76 -0.52 0
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381130 134971779 1 O5C12H22 A5B12C22 -263.95 4.14 -9.7 0.35 0
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381131 134971780 1 O2N4H8C9 A2B4C8D9 41.37 2.17 -9.44 -1.44 0
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381132 134971781 1 O2N4H8C9 A2B4C8D9 41.89 4.26 -9.63 -1.44 -1