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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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48984 11528580 1 SN2C11H16 AB2C11D16 24.88 1.28 -8.49 -0.26 0
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48985 11528581 1 SN2C11H16 AB2C11D16 1.94 1.24 -8.5 -0.1 0
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48986 11528583 1 SC13H20 AB13C20 -13.14 2.16 -8.51 0.13 0
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48987 11528584 1 ClN4C9H9 AB4C9D9 65.17 0.93 -8.77 -0.82 0
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48988 11528585 1 NPO5C6H12 ABC5D6E12 -229.5 4.45 -9.41 0.12 0
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48989 11528586 1 NO2C12H19 AB2C12D19 -80.71 4.22 -8.81 0.21 0
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48990 11528589 3 OC4H6 AB4C6 -141.91 3.87 -10.41 -0.37 0
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48991 11528590 2 NC7H7 AB7C7 48.43 3.29 -8.3 -0.45 0
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48992 11528592 1 O2C13H22 A2B13C22 -110.33 1.16 -10.37 -0.1 0
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48993 11528593 1 NO3C11H17 AB3C11D17 -139.42 2.2 -9.2 0.21 0
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48994 11528594 1 ClNOC11H14 ABCD11E14 -41.18 4.04 -9.35 -0.1 0
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48995 11528595 1 N2O3C10H16 A2B3C10D16 -60.11 5.97 -8.64 -0.87 0
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48996 11528596 4 NC3H3 AB3C3 98.24 2.7 -9.14 -0.64 0
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48998 11528598 1 SO2C11H16 AB2C11D16 -78.58 1.26 -9.05 -0.45 0
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48999 11528599 1 NO2H11C13 AB2C11D13 -21.62 5.83 -10.06 -0.94 0
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49000 11528600 1 NO2H11C13 AB2C11D13 -34.48 5.02 -10.11 -0.68 0
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49001 11528601 1 FNH12C14 ABC12D14 55.45 3.06 -8.74 -0.14 0
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49002 11528602 1 NO2C12H23 AB2C12D23 -118.68 3.12 -9.78 0.86 0
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49003 11528603 1 NC14H31 AB14C31 -65.27 1.6 -8.62 3.17 0
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49004 11528604 1 PO4C9H11 AB4C9D11 -186.6 4.95 -9.03 -0.52 0
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49005 11528605 1 FON2H7C12 ABC2D7E12 13.31 5.78 -9.55 -1.76 0
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49006 11528607 2 NOH5C6 ABC5D6 -34.13 6.48 -8.68 -0.69 0
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49007 11528608 1 SN2O3C8H10 AB2C3D8E10 0.65 2.89 -9.21 -1.01 0
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49008 11528609 1 SO3C10H14 AB3C10D14 -122.45 3.11 -9.07 -0.16 0
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49009 11528610 1 SN2H10C12 AB2C10D12 73.85 2.23 -8.52 -0.36 0
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49010 11528611 1 OSN2C10H18 ABC2D10E18 -68.86 3.43 -9.07 -0.1 0
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49011 11528612 1 Cl2H4N4C7 A2B4C4D7 93.62 5.55 -10.18 -1.62 0
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49012 11528613 1 NF3O4C6H8 AB3C4D6E8 -327.96 3.71 -10.82 -0.52 0
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49013 11528614 1 NO2C13H13 AB2C13D13 -47.1 2.87 -9.4 -0.75 0
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49014 11528615 1 NC15H21 AB15C21 4.28 3.04 -8.26 0.66 0
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49015 11528616 1 OF3C11H11 AB3C11D11 -168.8 3.26 -9.04 -0.02 0
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49016 11528617 2 NOC6H6 ABC6D6 -20.51 4.95 -8.83 -0.45 0
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49017 11528618 4 NC3H4 AB3C4 64.85 8.47 -8.23 -0.03 0
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49018 11528620 1 SiO2C11H24 AB2C11D24 -140.49 3.17 -8.71 1.41 0
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49019 11528621 1 ClN2H9C12 AB2C9D12 96.3 5.58 -8.82 -0.75 0
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49020 11528622 1 BrSiC8H13 ABC8D13 10.26 1.33 -9.22 0.01 0
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49021 11528623 1 O2N3C11H11 A2B3C11D11 -27.39 5.73 -8.99 -0.6 0
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49022 11528624 1 FNOH12C13 ABCD12E13 -29.62 5.22 -9.1 -0.92 0
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49023 11528625 1 NOC14H19 ABC14D19 -25.68 2.8 -7.99 0.43 0
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49024 11528626 2 ON2C5H5 AB2C5D5 46.67 10.31 -9.22 -1.47 1
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49025 11528627 1 O2N4C10H11 A2B4C10D11 39.82 8.68 0.0 0.0 0
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49026 11528628 1 SN2O4C7H10 AB2C4D7E10 -54.45 1.44 -9.44 -1.17 0
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49027 11528629 1 O5C10H18 A5B10C18 -248.91 2.9 -10.15 0.79 0
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49028 11528630 2 NOC6H7 ABC6D7 -56.83 4.91 -8.43 -0.49 0
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49029 11528631 2 OC7H9 AB7C9 -47.67 2.2 -9.42 0.32 0
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49030 11528632 1 ON2C13H18 AB2C13D18 -0.25 3.22 -9.21 0.22 0
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49031 11528633 2 NC7H11 AB7C11 25.09 1.7 -8.54 0.11 0
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49032 11528634 1 ClN2O2C9H15 AB2C2D9E15 -89.66 1.92 -9.08 -0.2 0
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49033 11528635 1 F2N3H7C11 A2B3C7D11 5.55 0.89 -9.73 -0.8 0
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49034 11528636 1 SN3O4C6H9 AB3C4D6E9 -25.93 3.64 -9.18 -1.06 0
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49035 11528637 1 NO3C12H13 AB3C12D13 -22.86 5.31 -10.09 -1.23 0
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49036 11528639 1 NO2C13H17 AB2C13D17 -44.84 2.91 -9.48 0.29 0
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49037 11528641 1 NO2C13H17 AB2C13D17 -62.79 5.69 -9.53 0.26 0
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49038 11528642 1 SN3C11H13 AB3C11D13 63.71 6.61 -8.44 -0.21 0
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49039 11528643 1 ClON3H6C10 ABC3D6E10 47.85 7.2 -9.22 -1.14 0
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49040 11528644 1 F3O3H7C9 A3B3C7D9 -259.04 4.92 -9.75 -0.92 0
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49041 11528645 4 OC3H3 AB3C3 -147.92 9.43 -9.62 -1.44 0
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49042 11528646 1 O3C13H16 A3B13C16 -136.02 3.5 -8.79 0.12 0
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49043 11528647 1 O3C13H16 A3B13C16 -111.9 4.03 -9.01 0.02 0
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49044 11528649 1 OC15H24 AB15C24 -72.21 4.36 -9.51 0.13 0
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49045 11528650 1 OC15H24 AB15C24 -40.89 2.4 -9.08 0.59 0
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49046 11528651 1 OSiC13H20 ABC13D20 -36.93 1.2 -8.95 0.38 0
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49047 11528652 1 ClO3C10H17 AB3C10D17 -160.63 2.37 -10.02 -0.14 0
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49048 11528653 1 NF3O3H6C8 AB3C3D6E8 -187.01 2.69 -11.08 -1.88 0
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49049 11528654 1 O2F3N3H6C7 A2B3C3D6E7 -105.2 4.57 -10.13 -1.31 0
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49050 11528655 1 NO4C11H11 AB4C11D11 -137.13 7.17 -9.56 -1.11 0
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49051 11528656 1 NO3C12H15 AB3C12D15 -46.47 3.22 -9.83 -0.57 0
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49052 11528657 1 NO3C12H15 AB3C12D15 -44.91 6.76 -9.81 -0.25 0
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49053 11528658 1 NOH11C15 ABC11D15 31.87 0.88 -8.78 -0.7 0
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49054 11528659 1 NSO2C11H11 ABC2D11E11 -6.71 6.63 -9.8 -0.62 0
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49055 11528660 1 NOC14H23 ABC14D23 -42.33 1.27 -8.87 0.22 0
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49056 11528661 1 NC15H27 AB15C27 -11.62 1.11 -8.69 1.22 0
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49057 11528662 1 NSCl2C8H9 ABC2D8E9 10.69 2.34 -9.18 -0.62 0
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49058 11528663 1 FO3H11C12 AB3C11D12 -102.06 1.72 -10.14 -0.62 0
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49059 11528664 1 OF2H12C13 AB2C12D13 -112.8 6.33 -9.85 -1.32 0
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49060 11528665 2 O2C6H7 A2B6C7 -148.29 6.1 -9.91 -0.69 0
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49061 11528666 2 O2C6H7 A2B6C7 -153.06 9.02 -9.64 -0.56 0
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49062 11528668 1 O3C13H18 A3B13C18 -129.32 2.31 -9.25 0.28 0
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49063 11528669 1 N2H14C15 A2B14C15 67.07 3.03 -7.72 -0.01 0
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49064 11528670 1 C17H18 A17B18 69.67 1.09 -8.76 -0.39 0
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49065 11528671 1 OSC13H18 ABC13D18 -28.93 0.94 -8.63 -0.09 0
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49066 11528672 1 BrC11H11 AB11C11 28.69 2.55 -8.99 -0.33 0
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49067 11528673 1 NO3C12H17 AB3C12D17 -138.89 1.91 -10.1 0.26 0
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49068 11528674 1 N3H13C14 A3B13C14 74.01 2.7 -8.32 -0.37 0
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49069 11528675 1 N3H13C14 A3B13C14 93.44 2.87 -9.56 -1.1 0
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49070 11528676 1 S2N3C9H9 A2B3C9D9 84.91 5.76 -8.5 -0.91 0
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49071 11528677 1 N3C13H25 A3B13C25 25.76 1.6 -8.98 1.05 0
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49072 11528678 1 NS2C11H13 AB2C11D13 31.56 2.77 -8.65 -0.35 0
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49073 11528680 1 PO2C11H15 AB2C11D15 -93.27 1.81 -8.96 0.05 0
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49074 11528681 1 NCl2H7C11 AB2C7D11 49.62 3.74 -9.55 -1.16 0
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49075 11528682 1 OF2N2H10C11 AB2C2D10E11 -80.53 8.03 -9.08 -0.68 0
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49076 11528683 1 O3C13H20 A3B13C20 -107.34 4.64 -10.26 0.07 0
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49077 11528684 2 OC7H12 AB7C12 -124.59 1.95 -9.48 0.96 0
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49078 11528685 1 OC15H28 AB15C28 -80.61 4.0 -9.85 0.77 0
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49079 11528686 1 ClO2C12H13 AB2C12D13 -61.48 3.8 -9.7 -0.62 0
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49080 11528688 1 BNSO2C10H16 ABCD2E10F16 -145.29 3.32 -9.0 -0.14 0
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49081 11528689 1 NSO3C10H11 ABC3D10E11 -37.29 3.57 -9.63 -0.59 0
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49082 11528691 1 NOC15H15 ABC15D15 16.78 2.26 -9.19 -0.4 0
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49083 11528692 1 NSH11C14 ABC11D14 78.4 5.12 -8.97 -0.98 0
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49084 11528693 1 NO2C13H23 AB2C13D23 -106.77 2.65 -9.34 0.72 0