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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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45996 10520178 2 O2C10H11 A2B10C11 -93.47 1.71 -8.8 -0.01 0
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45997 10520217 1 SiO2C19H38 AB2C19D38 -171.47 1.99 -8.7 1.37 0
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45998 10520222 1 NBr2O2C9H13 AB2C2D9E13 -62.51 5.53 -9.72 -0.9 0
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45999 10520247 1 SN3O3H13C16 AB3C3D13E16 20.03 3.37 -9.07 -1.47 0
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46000 10520250 1 NO4C19H21 AB4C19D21 -124.19 8.05 -9.07 -0.93 0
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46001 10520251 1 NO4C19H21 AB4C19D21 -140.75 3.01 -9.67 -0.31 0
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46002 10520275 1 O2N3C19H25 A2B3C19D25 -45.65 8.65 -8.56 -0.22 0
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46003 10520302 1 NCl2O4H11C14 AB2C4D11E14 -141.29 8.53 -9.36 -1.6 0
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46004 10520353 1 O3C20H40 A3B20C40 -206.53 1.45 -9.68 1.75 0
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46005 10520354 2 NC11H18 AB11C18 1.1 0.92 -9.48 0.23 0
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46006 10520363 1 ClSN2O2H9C16 ABC2D2E9F16 6.49 6.45 -8.92 -1.03 0
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46007 10520371 1 FN3O5H8C15 AB3C5D8E15 -164.32 5.16 -9.75 -2.04 0
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46008 10520378 1 NO7C15H23 AB7C15D23 -264.18 2.79 -9.76 0.28 0
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46009 10520396 1 NO4C19H23 AB4C19D23 -117.18 2.99 -9.53 -1.09 0
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46010 10520401 1 O2S2N3H11C15 A2B2C3D11E15 56.95 5.72 -8.09 -2.2 0
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46011 10520412 1 NOC22H35 ABC22D35 -34.12 0.86 -8.76 0.46 0
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46012 10520414 1 ClO4N5C12H16 AB4C5D12E16 -117.25 6.26 -8.86 -0.59 0
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46013 10520423 1 BrNO4C13H16 ABC4D13E16 -122.47 1.41 -10.1 -1.03 0
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46014 10520441 1 PO5C16H27 AB5C16D27 -243.8 4.51 -9.6 -0.23 0
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46015 10520445 1 O7C16H26 A7B16C26 -301.34 4.54 -10.21 0.08 0
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46016 10520455 2 O2C10H13 A2B10C13 -144.69 3.78 -8.83 -0.04 0
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46017 10520464 1 N2S3O4C10H16 A2B3C4D10E16 -133.72 2.66 -9.4 -1.56 0
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46018 10520474 1 SiO2C20H30 AB2C20D30 -94.49 3.66 -8.69 0.13 0
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46019 10520479 1 ClSN2O2H11C16 ABC2D2E11F16 8.03 3.73 -9.15 -1.34 0
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46020 10520483 1 ClN6C16H19 AB6C16D19 131.53 17.02 -8.28 -2.48 0
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46021 10520486 1 ClON2C19H23 ABC2D19E23 -6.1 2.38 -8.01 -0.03 0
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46022 10520518 1 N3O3C18H25 A3B3C18D25 -92.96 0.91 -9.26 -0.82 0
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46023 10520519 1 ON3C21H21 AB3C21D21 27.61 2.79 -8.98 -0.81 0
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46024 10520534 1 NSO2C19H25 ABC2D19E25 -63.27 1.81 -9.08 -0.39 0
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46025 10520544 1 FNCl2O3H12C14 ABC2D3E12F14 -163.34 8.18 -9.38 -0.68 0
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46026 10520564 1 SO7C14H20 AB7C14D20 -271.5 5.85 -9.45 -0.84 0
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46027 10520569 1 O5C19H24 A5B19C24 -132.85 2.17 -9.4 0.32 0
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46028 10520573 1 N2O2H20C21 A2B2C20D21 -29.33 6.85 -8.55 -1.85 0
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46029 10520605 1 ClSN4C16H17 ABC4D16E17 46.16 7.5 -8.27 -0.7 0
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46030 10520620 1 N3O3H15C19 A3B3C15D19 67.34 4.36 -8.96 -1.6 0
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46031 10520625 1 NO5C18H23 AB5C18D23 -208.05 5.54 -9.64 -0.04 0
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46032 10520628 1 NO5C18H23 AB5C18D23 -198.03 0.99 -9.73 -1.18 0
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46033 10520654 1 N5C20H23 A5B20C23 72.14 2.12 -8.44 -0.06 0
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46034 10520662 1 NSiO2C19H31 ABC2D19E31 -118.48 3.14 -8.57 0.24 0
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46035 10520663 1 OSN2Cl3H7C12 ABC2D3E7F12 17.41 3.9 -8.99 -1.2 0
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46036 10520678 1 BrNO3H12C15 ABC3D12E15 -16.52 1.44 -8.93 -0.93 0
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46037 10520679 1 ION2C12H19 ABC2D12E19 30.75 33.4 -5.34 -3.92 0
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46038 10520681 1 Cl2N3C17H17 A2B3C17D17 45.82 7.53 -8.4 -0.44 0
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46039 10520682 1 NaO3N6H9C14 AB3C6D9E14 13.28 10.89 -8.06 -0.72 0
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46040 10520683 1 O3N6H10C14 A3B6C10D14 48.75 1.6 -8.75 -1.25 0
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46041 10520684 1 PN2O7C12H19 AB2C7D12E19 -342.64 8.43 -9.28 -0.13 0
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46042 10520685 2 N2O3C7H7 A2B3C7D7 -35.5 8.68 -10.42 -2.21 0
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46043 10520689 1 N4O5C15H18 A4B5C15D18 -153.94 9.1 -9.98 -0.72 0
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46044 10520696 1 SO2N8C12H14 AB2C8D12E14 176.44 17.53 -5.14 -3.87 0
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46045 10520703 1 O4H18C21 A4B18C21 -83.14 8.29 -9.08 -0.8 0
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46046 10520704 1 O4H18C21 A4B18C21 -64.93 1.82 -9.12 -0.93 0
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46047 10520758 1 ClSO2C18H19 ABC2D18E19 -70.2 7.64 -9.2 -0.76 0
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46048 10520763 1 NBr2O2H9C10 AB2C2D9E10 -72.57 3.45 -9.19 -0.77 1
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46049 10520772 1 ClN2C18H20 AB2C18D20 43.77 2.24 0.0 0.0 0
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46050 10520781 1 NO4H17C20 AB4C17D20 -101.25 7.91 -9.17 -0.98 0
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46051 10520798 1 ON5C19H21 AB5C19D21 33.79 2.69 -8.62 -0.37 0
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46052 10520814 1 NOC23H29 ABC23D29 -22.99 3.37 -8.43 -0.19 1
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46053 10520821 1 NO2C14H22 AB2C14D22 -97.8 2.2 0.0 0.0 0
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46054 10520834 1 OSH11C13 ABC11D13 40.87 7.0 0.0 0.0 0
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46055 10520837 1 SF3O7C10H15 AB3C7D10E15 -458.45 2.85 -10.39 -1.45 0
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46056 10520874 1 N2O2C21H24 A2B2C21D24 -25.51 5.1 -8.55 -1.1 0
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46057 10520917 1 O2S3N5H7C11 A2B3C5D7E11 85.09 5.26 -9.55 -2.0 0
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46058 10520923 1 NO3C21H23 AB3C21D23 -84.84 5.05 -8.75 -0.25 0
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46059 10520946 1 ClON5H12C17 ABC5D12E17 129.65 5.74 -9.24 -1.54 0
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46060 10520959 1 FNCl2O2H10C16 ABC2D2E10F16 -91.23 3.97 -9.55 -1.28 0
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46061 10520988 1 SN2O6C13H26 AB2C6D13E26 -297.59 3.0 -9.94 0.08 0
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46062 10520990 1 SN2O2H18C19 AB2C2D18E19 -6.92 5.09 -8.49 -1.05 0
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46063 10520994 1 O5C19H30 A5B19C30 -250.45 3.83 -9.65 -0.24 0
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46064 10520996 1 O3C22H26 A3B22C26 -110.12 4.07 -8.82 0.11 0
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46065 10520997 2 NO2C9H15 AB2C9D15 -168.04 2.09 -8.87 0.78 0
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46066 10521023 1 N3C10H15 A3B10C15 31.06 1.08 -8.04 0.47 0
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46067 10521036 1 NO5H17C19 AB5C17D19 -112.59 4.02 -8.89 -1.89 0
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46068 10521045 1 NO4C20H21 AB4C20D21 -111.33 7.59 -9.68 -0.17 0
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46069 10521100 1 O7C17H24 A7B17C24 -291.92 2.22 -8.85 0.12 0
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46070 10521101 5 OC4H4 AB4C4 -153.4 2.71 -10.0 -0.7 0
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46071 10521120 1 N2O3C20H24 A2B3C20D24 -115.89 1.75 -9.07 -0.38 0
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46072 10521138 1 N2O2C21H28 A2B2C21D28 -45.72 4.4 -8.56 0.18 0
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46073 10521150 1 SiO3C19H36 AB3C19D36 -192.91 4.96 -9.02 0.51 0
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46074 10521169 1 NO5C19H19 AB5C19D19 -158.55 2.87 -9.14 -0.28 0
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46075 10521175 1 FNO3C20H20 ABC3D20E20 -119.51 2.27 -8.94 -0.3 0
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46076 10521208 1 NSiO4C17H31 ABC4D17E31 -240.66 4.37 -8.82 0.12 0
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46077 10521222 1 ClNSO3C16H20 ABCD3E16F20 -124.37 6.59 -8.89 -1.03 0
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46078 10521265 2 N2O2C8H15 A2B2C8D15 -162.56 4.85 -9.64 0.17 0
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46079 10521334 1 N5C21H21 A5B21C21 110.87 8.35 -8.3 -1.14 0
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46080 10521343 1 NOC24H25 ABC24D25 40.52 1.48 -8.97 0.02 0
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46081 10521344 1 NO2S2H17C18 AB2C2D17E18 -3.85 2.57 -8.51 -0.4 0
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46082 10521351 1 O2Cl3H13C16 A2B3C13D16 -49.39 2.32 -8.78 -0.48 0
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46083 10521360 1 ISiO2C11H25 ABC2D11E25 -144.5 1.62 -9.67 -0.76 0
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46084 10521362 1 O7H16C18 A7B16C18 -210.17 2.58 -8.74 -0.44 0
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46085 10521383 1 O4C21H28 A4B21C28 -107.18 4.0 -9.06 0.07 0
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46086 10521398 1 O3C22H32 A3B22C32 -96.42 4.2 -8.73 0.28 0
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46087 10521405 1 SO2C21H28 AB2C21D28 -88.65 4.19 -9.14 -0.03 0
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46088 10521411 1 SiO2C21H32 AB2C21D32 -76.78 2.11 -8.64 0.23 0
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46089 10521413 1 SiO3C19H40 AB3C19D40 -261.27 2.07 -8.73 0.89 0
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46090 10521435 1 N3O3H15C20 A3B3C15D20 -7.09 3.1 -8.31 -1.7 0
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46091 10521447 1 O2N3H19C21 A2B3C19D21 20.95 3.96 -8.32 -1.0 0
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46092 10521453 1 NO4C20H27 AB4C20D27 -182.49 2.6 -9.4 -0.32 0
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46093 10521465 1 NSO2C20H27 ABC2D20E27 -76.98 5.25 -9.34 -0.38 0
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46094 10521470 1 NSiO4C17H35 ABC4D17E35 -276.86 4.77 -8.99 0.24 0
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46095 10521481 1 BrNO3H12C16 ABC3D12E16 -9.92 3.57 -8.97 -0.78 0