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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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391972 135011514 1 ON4H28C38 AB4C28D38 249.28 1.97 -8.42 -1.42 0
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391973 135011516 1 SN2O2C22H30 AB2C2D22E30 -55.85 4.57 -9.39 -0.46 0
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391974 135011519 1 SN2O2C20H24 AB2C2D20E24 -24.76 6.75 -9.51 -0.65 0
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391975 135011520 1 SN2O2C20H24 AB2C2D20E24 -26.89 4.21 -9.5 -0.55 0
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391976 135011523 1 O3C19H20 A3B19C20 -86.11 2.74 -9.36 -0.12 0
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391977 135011540 1 ON3C16H21 AB3C16D21 -18.21 6.14 -8.47 0.2 0
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391978 135011541 1 NOF3C13H16 ABC3D13E16 -193.42 2.8 -9.48 0.18 0
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391979 135011542 1 NO3C10H19 AB3C10D19 -129.29 0.61 -9.07 0.56 0
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391980 135011552 1 SN2O2C22H28 AB2C2D22E28 -53.85 4.44 -9.46 -0.52 0
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391981 135011554 1 NO2C9H9 AB2C9D9 -46.07 1.15 -9.77 -0.6 0
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391982 135011614 1 NCl3O18C80H84 AB3C18D80E84 -552.33 9.18 -9.19 -0.3 0
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391983 135011623 1 ISN2O2C29H33 ABC2D2E29F33 -12.11 3.06 -9.38 -0.91 0
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391984 135011624 1 O3C10H14 A3B10C14 -96.95 2.03 -9.92 0.11 0
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391985 135011626 1 O5C30H32 A5B30C32 -112.05 2.3 -9.23 0.13 0
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391986 135011627 1 O5C30H32 A5B30C32 -102.8 3.45 -9.15 -0.1 0
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391987 135011635 1 SiO2C20H36 AB2C20D36 -96.97 1.12 -9.22 1.1 0
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391988 135011677 1 NPO4C18H26 ABC4D18E26 -197.63 1.67 -9.25 -0.16 0
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391989 135011716 1 OC12H16 AB12C16 -23.91 1.51 -9.51 0.19 0
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391990 135011738 1 LiO3C7H11 AB3C7D11 -119.59 7.97 -8.57 1.86 0
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391991 135011756 1 N3O4C33H37 A3B4C33D37 -100.38 1.58 -8.17 -0.02 0
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391992 135011777 1 NPO4C19H24 ABC4D19E24 -167.69 6.2 -9.2 -0.8 0
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391993 135011778 1 N3O4H13C16 A3B4C13D16 48.35 6.83 -8.93 -1.41 0
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391994 135011783 1 NSO6C19H27 ABC6D19E27 -183.55 6.68 -9.45 -0.61 -1
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391995 135011805 1 NOPH25C32 ABCD25E32 129.13 1.38 0.0 0.0 0
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391996 135011808 1 NOPC24H26 ABCD24E26 28.8 5.52 -8.16 -0.06 0
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391997 135011811 1 O2C11H20 A2B11C20 -121.6 3.33 -9.42 2.04 0
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391998 135011820 2 NSO3C12H14 ABC3D12E14 -109.75 9.7 -9.57 -0.65 0
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391999 135011822 1 O6C21H26 A6B21C26 -212.63 2.46 -9.47 -0.07 0
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392000 135011848 1 O5C37H40 A5B37C40 -101.46 2.76 -9.18 0.05 0
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392001 135011873 1 N2O4C27H28 A2B4C27D28 -95.35 4.89 -8.71 -0.62 0
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392002 135011874 1 N2O3C25H26 A2B3C25D26 -53.72 2.5 -8.83 -0.61 0
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392004 135011882 1 O4C17H22 A4B17C22 -47.77 3.93 -9.05 0.47 0
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392005 135011886 1 O4C7H12 A4B7C12 -186.15 5.15 -10.48 0.15 0
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392006 135011887 1 OC7H12 AB7C12 -20.51 1.5 -9.31 0.9 1
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392007 135011895 1 ON2F12H31C37 AB2C12D31E37 -566.24 0.67 0.0 0.0 0
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392008 135011896 1 OC15H24 AB15C24 -70.37 3.82 -9.23 0.61 0
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392009 135011911 1 N2O3C14H18 A2B3C14D18 -105.91 6.81 -8.55 -0.55 0
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392010 135011929 1 NO6C15H21 AB6C15D21 -249.44 4.42 -9.87 -0.73 0
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392011 135011931 1 FC10H19 AB10C19 -94.59 2.03 -10.61 3.26 0
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392012 135011932 1 O2N3C14H17 A2B3C14D17 -29.52 8.59 -8.38 -0.3 0
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392013 135011940 1 NPO5C16H24 ABC5D16E24 -225.04 6.3 -9.09 -0.28 0
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392014 135011945 1 NS2F3O4C19H20 AB2C3D4E19F20 -245.68 7.14 -9.1 -1.18 0
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392015 135011985 1 ON2H16C17 AB2C16D17 19.23 4.9 -9.09 -0.4 -1
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392016 135011997 1 BOSiF3C9H17 ABCD3E9F17 -282.95 18.88 0.0 0.0 0
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392017 135012003 1 NH19C24 AB19C24 96.81 1.85 -9.01 0.02 -1
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392018 135012012 1 NOPC23H23 ABCD23E23 62.12 0.55 0.0 0.0 0
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392019 135012013 1 NOPC23H24 ABCD23E24 38.87 6.03 -8.16 -0.09 -1
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392020 135012014 1 NOH16C20 ABC16D20 86.2 1.55 0.0 0.0 0
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392021 135012015 1 NOH17C20 ABC17D20 64.32 5.9 -8.35 -0.3 0
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392022 135012016 1 NO5C18H19 AB5C18D19 -165.46 1.42 -8.9 -0.14 0
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392023 135012022 1 N2O4C23H24 A2B4C23D24 -131.14 8.56 -8.99 -0.18 0
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392024 135012023 1 SN5O8C41H53 AB5C8D41E53 -306.72 3.26 -9.49 -0.53 0
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392025 135012024 1 N2O2H10C15 A2B2C10D15 17.99 9.49 -9.39 -1.43 0
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392026 135012025 2 NO3C12H15 AB3C12D15 -223.15 3.59 -8.8 -0.08 0
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392027 135012049 1 NO3H17C20 AB3C17D20 -44.11 2.16 -9.07 -1.51 0
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392028 135012051 1 NOC6H9 ABC6D9 -7.77 5.11 -9.39 0.71 0
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392029 135012056 1 O8C23H32 A8B23C32 -274.61 2.22 -9.59 -0.3 0
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392030 135012057 1 O6C17H22 A6B17C22 -178.52 2.87 -9.71 -0.18 0
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392031 135012062 1 NOC13H21 ABC13D21 -43.4 0.51 -9.34 0.6 0
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392032 135012066 2 O3C12H16 A3B12C16 -219.04 3.12 -9.19 0.1 0
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392033 135012070 1 O5H34C37 A5B34C37 -84.28 2.42 -8.48 -0.48 0
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392035 135012125 1 NO2H21C23 AB2C21D23 -1.83 2.55 -9.45 -1.54 0
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392036 135012127 1 ClNO4C12H16 ABC4D12E16 -141.03 8.39 -9.98 -0.65 1
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392038 135012132 1 NO2C23H40 AB2C23D40 -96.97 3.02 0.0 0.0 0
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392039 135012138 1 O5C18H20 A5B18C20 -150.8 6.51 -8.61 -0.49 0
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392040 135012145 1 OC17H26 AB17C26 -59.14 2.05 -9.17 0.57 0
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392041 135012147 2 N2O2H10C11 A2B2C10D11 -69.1 5.96 -8.73 -0.58 0
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392042 135012149 1 O4C13H20 A4B13C20 -177.77 4.21 -9.75 0.04 0
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392043 135012150 1 NO3C26H31 AB3C26D31 -83.61 3.65 -8.51 0.0 0
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392044 135012156 1 SN2O2F6C15H16 AB2C2D6E15F16 -387.13 6.21 -9.12 -1.26 0
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392045 135012158 1 OSN2F6H24C30 ABC2D6E24F30 -258.26 7.22 -9.02 -1.22 0
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392046 135012212 1 O4C9H14 A4B9C14 -142.32 3.41 -10.61 -0.05 0
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392047 135012232 1 SiO4C20H28 AB4C20D28 -134.17 2.96 -8.94 -1.02 0
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392048 135012268 1 SiN2O4C29H36 AB2C4D29E36 -127.86 4.65 -8.44 -0.72 0
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392049 135012280 3 OC7H10 AB7C10 -136.7 5.61 -9.21 -0.28 0
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392050 135012286 1 NSiO5C25H39 ABC5D25E39 -213.31 6.77 -6.9 -0.74 0
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392051 135012287 1 NSiO5C25H37 ABC5D25E37 -210.97 3.23 -8.12 -0.73 1
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392052 135012288 1 NSiO5C25H38 ABC5D25E38 -218.22 1.57 0.0 0.0 0
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392054 135012379 4 OH3C5 AB3C5 -62.42 2.48 -7.92 -0.86 0
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392055 135012380 1 O3H16C19 A3B16C19 -44.64 3.81 -8.6 -1.44 0
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392056 135012393 1 ClOC27H45 ABC27D45 -114.86 3.56 -9.85 0.8 0
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392058 135012447 1 NO4C6H9 AB4C6D9 -91.06 5.1 -11.29 -1.28 0
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392059 135012508 1 O3H14C21 A3B14C21 -16.68 2.82 -8.67 -1.56 0
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392060 135012510 2 NOH6C8 ABC6D8 15.89 4.14 -9.4 -1.81 2
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392061 135012513 2 NPC20H26 ABC20D26 253.72 16.66 -5.34 -2.35 0
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392062 135012514 1 N3O6C20H31 A3B6C20D31 -281.1 1.61 -9.46 -0.08 0
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392063 135012526 1 SiO4C18H36 AB4C18D36 -278.83 4.23 -9.06 0.66 0
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392064 135012533 1 NPO8C24H26 ABC8D24E26 -325.6 3.86 -8.75 -0.44 0
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392065 135012534 1 SO4C16H24 AB4C16D24 -162.97 7.58 -9.94 -0.72 0
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392066 135012537 1 NO5C19H27 AB5C19D27 -180.43 6.27 -8.72 -0.3 0
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392067 135012543 1 OF3H11C12 AB3C11D12 -173.81 3.75 -9.28 -0.61 0
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392068 135012544 1 OSi2C23H28 AB2C23D28 -23.98 1.66 -8.12 0.09 0
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392069 135012562 1 SN3O11C19H27 AB3C11D19E27 -474.64 8.79 -10.02 -0.53 0
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392070 135012563 1 FSN3O11C19H26 ABC3D11E19F26 -512.81 9.75 -9.97 -0.82 0
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392071 135012564 1 NOH23C26 ABC23D26 76.96 3.33 -8.4 -0.29 0
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392072 135012566 1 O2N4C31H38 A2B4C31D38 20.16 3.51 -8.66 0.12 0
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392073 135012582 1 O8C15H26 A8B15C26 -385.69 2.72 -10.02 0.36 0
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392074 135012600 1 SN2O6C13H16 AB2C6D13E16 -94.05 2.32 -9.75 -1.72 0
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392075 135012629 1 NO4C19H27 AB4C19D27 -153.62 4.89 -8.24 0.25 0
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392076 135012633 1 ON2C17H18 AB2C17D18 2.44 2.66 -9.35 0.09 0