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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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195045 78626684 1 Cl2N3O4C16H18 A2B3C4D16E18 -139.67 2.57 0.0 0.0 0
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195046 78627028 1 ClSN4C15H17 ABC4D15E17 70.5 4.37 -8.49 -1.04 1
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195047 78627323 1 O2N5C24H30 A2B5C24D30 33.54 5.41 0.0 0.0 0
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195048 78627324 1 O2N5C24H29 A2B5C24D29 5.8 2.68 -8.51 -0.7 1
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195049 78627325 1 O2N5C23H28 A2B5C23D28 32.25 2.19 0.0 0.0 0
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195050 78627566 1 N2O3H18C20 A2B3C18D20 -54.5 4.53 -8.97 -0.99 0
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195051 78627841 1 O4N5H15C19 A4B5C15D19 31.67 3.56 -9.53 -1.02 0
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195052 78628015 1 OS2N4H18C19 AB2C4D18E19 87.57 3.93 -8.55 -1.23 0
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195053 78628016 1 O2N4H14C15 A2B4C14D15 40.36 8.61 -9.94 -1.04 0
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195054 78628020 1 N3O3H21C22 A3B3C21D22 -10.41 2.6 -9.47 -0.72 0
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195055 78628055 1 O2N3C22H23 A2B3C22D23 19.02 4.54 -9.19 -0.74 0
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195056 78628142 1 FN3O3H18C20 AB3C3D18E20 -48.5 5.3 -8.89 -0.79 0
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195057 78628143 1 N3O3H23C24 A3B3C23D24 -9.72 6.35 -9.44 -0.64 0
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195058 78628403 1 OSN4C22H26 ABC4D22E26 22.08 5.25 -9.06 -0.51 0
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195059 78628439 1 FSN2O6C18H19 ABC2D6E18F19 -246.95 9.67 -9.22 -0.65 0
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195060 78628440 1 NF4O4H17C19 AB4C4D17E19 -335.97 1.47 -9.01 -0.72 0
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195061 78628779 1 SF2N3O4C15H17 AB2C3D4E15F17 -246.77 2.3 -9.18 -0.65 0
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195062 78628951 1 SN2O3C18H24 AB2C3D18E24 -125.62 3.43 -9.01 -0.42 1
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195063 78629249 1 O3N4C21H23 A3B4C21D23 -0.34 6.55 0.0 0.0 0
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195064 78629383 1 ON2S2C21H22 AB2C2D21E22 14.09 1.55 -8.44 -0.22 0
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195065 78629684 1 F3N3O5C17H22 A3B3C5D17E22 -308.44 3.36 -9.76 -1.57 0
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195066 78629866 1 N2O5C17H20 A2B5C17D20 -189.14 8.53 -9.48 -1.13 0
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195067 78630047 1 FSN4C18H21 ABC4D18E21 36.82 4.72 -8.22 -0.23 0
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195068 78630048 1 OSN4C20H20 ABC4D20E20 59.72 6.13 -8.11 -1.11 0
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195069 78630049 1 SO2N4C23H24 AB2C4D23E24 30.93 6.56 -8.07 -1.14 0
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195070 78630050 1 OSN4C20H20 ABC4D20E20 60.11 6.09 -8.33 -1.18 0
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195071 78630051 1 ClNSO4H16C17 ABCD4E16F17 -118.25 4.74 -9.19 -1.38 0
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195072 78630052 1 OSN5C22H27 ABC5D22E27 67.77 8.56 -8.11 -0.7 0
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195073 78630053 1 SO2N5C22H25 AB2C5D22E25 42.24 7.44 -8.25 -0.85 -1
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195074 78630337 1 NSO4C17H18 ABC4D17E18 -71.11 4.88 0.0 0.0 0
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195075 78630572 1 F3N3H14C15 A3B3C14D15 -91.67 4.34 -8.4 -0.4 0
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195076 78630620 1 SN3O4C20H25 AB3C4D20E25 -65.02 3.68 -8.15 -0.23 1
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195077 78630630 1 ClNO3C16H27 ABC3D16E27 -131.77 3.1 0.0 0.0 0
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195078 78630699 1 SN4C13H20 AB4C13D20 35.25 7.54 -8.21 -0.45 0
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195079 78631101 1 BrSN2O3C17H17 ABC2D3E17F17 -2.69 2.35 -8.99 -1.46 0
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195080 78632114 1 SO2N6C20H24 AB2C6D20E24 42.16 9.16 -9.06 -0.88 0
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195081 78632115 1 SN3O4C15H15 AB3C4D15E15 -69.76 4.1 -9.13 -1.2 0
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195082 78632185 1 ClN2O2C21H21 AB2C2D21E21 -41.14 3.39 -8.94 -0.5 0
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195083 78632265 1 NSO5C14H19 ABC5D14E19 -193.26 4.7 -9.18 -1.09 1
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195084 78632485 1 SN3O4C21H28 AB3C4D21E28 -86.94 6.09 0.0 0.0 0
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195085 78632486 1 SN3O4C21H27 AB3C4D21E27 -147.9 4.43 -8.69 -0.34 0
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195086 78632571 1 ClFO2N3H17C19 ABC2D3E17F19 -44.97 4.16 -8.98 -1.11 0
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195087 78632572 1 S2N3O3H15C16 A2B3C3D15E16 -12.57 9.4 -9.66 -1.8 0
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195088 78632616 1 FNSO2C19H22 ABCD2E19F22 -105.58 2.86 -8.52 -0.15 0
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195089 78632801 1 SN3O6C18H21 AB3C6D18E21 -206.13 6.98 -8.79 -1.57 0
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195090 78633070 1 SN2O5C21H32 AB2C5D21E32 -240.22 6.0 -9.1 -0.73 0
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195091 78633756 1 N4O5C16H18 A4B5C16D18 -140.93 3.61 -10.15 -1.76 0
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195092 78633843 1 FNSO3C20H20 ABCD3E20F20 -114.92 3.81 -9.25 -0.38 0
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195093 78633844 1 N2O3C16H20 A2B3C16D20 -101.99 5.33 -8.62 -0.15 0
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195094 78634140 1 NO6C21H25 AB6C21D25 -211.38 6.76 -8.5 -0.54 0