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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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39028 8138390 1 OSN4H16C19 ABC4D16E19 83.02 3.03 -9.23 -1.34 1
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39029 8138392 1 ClO2F3N5C17H18 AB2C3D5E17F18 -180.69 5.71 0.0 0.0 0
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39030 8138393 1 ClO2F3N5C17H17 AB2C3D5E17F17 -179.8 6.78 -8.95 -0.74 0
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39031 8138397 1 OSN3C13H15 ABC3D13E15 0.97 5.29 -9.26 -1.22 0
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39032 8138400 1 OSN3C20H21 ABC3D20E21 26.11 2.91 -8.88 -0.98 0
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39033 8138402 1 OSN3C20H21 ABC3D20E21 26.14 3.27 -8.87 -0.95 0
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39034 8138404 1 FO2N3H12C14 AB2C3D12E14 -42.88 1.75 -9.28 -0.81 0
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39035 8138406 1 SO2N3C15H17 AB2C3D15E17 -28.75 2.59 -8.72 -0.33 0
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39036 8138408 1 SO2N3C15H17 AB2C3D15E17 -29.42 2.6 -8.97 -0.47 0
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39037 8138411 1 BrN4O4H9C12 AB4C4D9E12 -8.42 6.14 -9.73 -1.5 0
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39038 8138412 1 ClN3O4C16H16 AB3C4D16E16 -79.41 5.08 -8.72 -1.01 0
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39039 8138413 1 N2O5C22H22 A2B5C22D22 -92.4 3.44 -9.44 -0.83 0
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39040 8138415 1 SN3O4C13H13 AB3C4D13E13 -88.69 6.98 -9.24 -1.3 0
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39041 8138416 1 ClN2O5H17C20 AB2C5D17E20 -84.9 4.09 -9.51 -0.98 0
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39042 8138417 1 SF2O2N3H17C20 AB2C2D3E17F20 -87.61 3.31 -9.16 -0.53 0
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39043 8138419 1 ClSO2N3H18C20 ABC2D3E18F20 -3.01 4.13 -9.1 -0.57 0
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39044 8138420 1 FN2O5H19C21 AB2C5D19E21 -154.01 2.28 -9.64 -1.31 0
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39045 8138422 1 FN2O5H19C21 AB2C5D19E21 -151.37 4.13 -9.56 -1.37 0
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39046 8138423 1 ClSO2N3C14H14 ABC2D3E14F14 -25.27 1.32 -9.14 -0.48 0
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39047 8138424 1 NSO7C20H25 ABC7D20E25 -245.51 8.53 -9.47 -0.57 0
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39048 8138425 1 ClN3O3H12C13 AB3C3D12E13 -56.08 0.99 -9.52 -0.45 0
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39049 8138426 1 SO2N3C14H15 AB2C3D14E15 -13.7 2.33 -8.78 -0.6 0
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39050 8138505 1 SN3O4H19C21 AB3C4D19E21 -51.89 5.43 -8.97 -0.77 0
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39051 8138524 2 ON2H6C7 AB2C6D7 10.16 1.27 -8.93 -0.75 0
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39052 8138561 1 N2O5H22C24 A2B5C22D24 -104.66 3.39 -9.32 -0.6 0
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39053 8138566 1 N2Cl3O4C15H15 A2B3C4D15E15 -144.56 3.15 -9.61 -1.34 0
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39054 8138579 1 N2O4H24C25 A2B4C24D25 -78.22 7.72 -8.04 -1.54 0
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39055 8138707 1 S2N3O3C16H17 A2B3C3D16E17 -44.61 2.67 -8.84 -0.41 1
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39056 8138944 1 N2O2C22H27 A2B2C22D27 -28.15 6.0 0.0 0.0 1
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39057 8138970 1 N2O4C23H23 A2B4C23D23 -73.55 21.96 0.0 0.0 1
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39058 8138982 1 F2N2O2C20H21 A2B2C2D20E21 -108.22 5.71 0.0 0.0 0
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39059 8139094 1 NO5C20H23 AB5C20D23 -166.15 8.9 -8.86 -0.77 1
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39060 8139211 1 SN2O3C23H29 AB2C3D23E29 -79.04 3.4 0.0 0.0 0
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39061 8139233 1 ClN2O4C22H25 AB2C4D22E25 -112.77 7.17 -8.61 -0.43 0
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39062 8139252 1 SO2N5C15H21 AB2C5D15E21 -17.53 3.29 -9.26 -0.81 1
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39063 8139307 1 N2O3C24H29 A2B3C24D29 -52.42 5.71 0.0 0.0 0
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39064 8139355 1 SN2O4C22H26 AB2C4D22E26 -125.13 3.71 -8.64 -0.64 0
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39065 8139417 1 N2O5C22H22 A2B5C22D22 -153.35 5.2 -9.35 -1.5 0
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39066 8139477 1 ClN3O4H16C19 AB3C4D16E19 -57.5 2.37 -9.58 -0.88 0
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39067 8139520 1 FN2O3C21H23 AB2C3D21E23 -113.09 4.81 -8.63 -0.34 0
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39068 8139525 2 ON2C12H13 AB2C12D13 9.9 5.39 -8.71 -0.69 1
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39069 8139546 1 FN2O3C24H24 AB2C3D24E24 -50.46 18.37 0.0 0.0 1
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39070 8139548 1 N2O4C23H29 A2B4C23D29 -109.71 6.05 0.0 0.0 1
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39071 8139620 1 O2N4C19H21 A2B4C19D21 12.19 4.35 0.0 0.0 0
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39072 8139634 1 OSN2C20H26 ABC2D20E26 -16.74 5.17 -8.63 -0.22 0
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39073 8139638 1 BrOSN2C20H25 ABCD2E20F25 -14.98 1.71 -8.66 -0.66 0
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39074 8139643 1 ClN2O4H17C19 AB2C4D17E19 -57.36 3.59 -9.14 -0.91 1
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39075 8139651 1 ON2C21H29 AB2C21D29 -0.12 5.32 0.0 0.0 1
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39076 8139654 1 N2O2C23H25 A2B2C23D25 11.74 2.68 0.0 0.0 0
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39077 8139655 1 N2O2C23H24 A2B2C23D24 -3.65 4.02 -8.95 -0.43 0
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39078 8139656 1 ClFN2O4H14C18 ABC2D4E14F18 -112.14 1.55 -9.22 -1.3 1
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39079 8139657 1 ON2F3C18H20 AB2C3D18E20 -138.31 6.89 0.0 0.0 1
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39080 8139659 1 ON2C19H23 AB2C19D23 35.64 1.89 0.0 0.0 0
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39081 8139660 1 ON2C19H22 AB2C19D22 18.33 4.78 -8.84 -0.4 1
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39082 8139661 1 N2O2C20H25 A2B2C20D25 -4.91 4.79 0.0 0.0 0
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39083 8139663 1 ClSN2O4H19C20 ABC2D4E19F20 -98.08 5.01 -8.99 -0.95 0
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39084 8139665 1 O3N4C23H30 A3B4C23D30 -10.55 9.13 -8.91 -1.02 0
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39085 8139668 1 ClNSO6C17H20 ABCD6E17F20 -206.7 4.95 -9.16 -0.32 1
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39086 8139671 1 ON2F3C18H20 AB2C3D18E20 -139.14 5.2 0.0 0.0 0
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39087 8139672 1 ON2F3C18H19 AB2C3D18E19 -160.33 5.24 -9.3 -0.71 1
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39088 8139673 1 ClN3O3C17H19 AB3C3D17E19 -9.79 14.4 0.0 0.0 0
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39089 8139674 1 ClN3O3C17H18 AB3C3D17E18 -2.96 4.56 -8.95 -1.72 1
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39090 8139675 1 ON2C17H27 AB2C17D27 -28.92 1.2 0.0 0.0 0
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39091 8139676 1 ON2C17H26 AB2C17D26 -47.69 5.54 -9.16 0.21 0
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39092 8139681 1 ON3C20H23 AB3C20D23 11.29 4.21 -8.28 0.14 0
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39093 8139682 1 ClNO4H18C19 ABC4D18E19 -98.85 6.8 -8.88 -0.48 1
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39094 8139683 1 BrN2O2C18H22 AB2C2D18E22 -13.98 2.96 0.0 0.0 0
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39095 8139684 1 BrN2O2C18H21 AB2C2D18E21 -31.41 2.29 -8.95 -0.4 0
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39096 8139688 1 Cl2O5H16C18 A2B5C16D18 -160.13 3.77 -9.06 -0.45 0
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39097 8139691 1 ClN2O4H17C19 AB2C4D17E19 -74.84 1.97 -9.15 -1.01 1
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39098 8139695 1 ION2C17H20 ABC2D17E20 36.82 13.62 0.0 0.0 0
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39099 8139696 1 ION2C17H19 ABC2D17E19 18.82 5.26 -9.22 -0.96 0
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39100 8139697 1 Cl2N2O4H12C17 A2B2C4D12E17 -49.32 5.26 -9.25 -1.13 0
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39101 8139699 1 N2O3C21H26 A2B3C21D26 -59.09 5.28 -8.32 -0.14 0
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39102 8139700 1 ClSN2O5H17C18 ABC2D5E17F18 -166.33 7.7 -8.92 -0.78 1