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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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64151 29196908 1 O2S2N3C18H23 A2B2C3D18E23 -15.54 8.21 -8.56 -0.71 1
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64152 29196915 1 ClO2S2N3C16H19 AB2C2D3E16F19 -2.66 1.89 0.0 0.0 1
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64153 29196989 1 SO2N3C22H24 AB2C3D22E24 14.98 15.85 0.0 0.0 1
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64154 29196996 1 SO2N3C20H26 AB2C3D20E26 -6.98 5.12 0.0 0.0 0
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64155 29196999 3 NOC8H9 ABC8D9 -43.65 4.51 -8.63 -0.19 0
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64156 29197004 1 FSO2N3C19H22 ABC2D3E19F22 -68.39 5.87 -8.52 -0.62 1
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64157 29197007 1 FOSN2H22C23 ABCD2E22F23 2.68 3.55 0.0 0.0 1
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64158 29197029 1 SO2N3C21H28 AB2C3D21E28 -7.32 4.16 0.0 0.0 0
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64159 29197067 1 SN3O3C15H21 AB3C3D15E21 -119.31 6.94 -8.92 -0.51 0
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64160 29197113 1 BrSN2O2H21C23 ABC2D2E21F23 6.4 2.02 -8.33 -1.23 1
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64161 29197114 1 SN3O3C20H26 AB3C3D20E26 -62.06 5.92 0.0 0.0 0
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64162 29197121 1 SO4N5C21H27 AB4C5D21E27 -94.17 9.41 -8.79 -1.08 1
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64163 29197122 1 ClSO2N3C19H23 ABC2D3E19F23 -11.34 4.52 0.0 0.0 0
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64164 29197130 1 ClSO2N3C19H22 ABC2D3E19F22 -27.59 2.86 -8.51 -0.66 1
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64165 29197152 1 SN3O3C26H28 AB3C3D26E28 20.53 10.93 0.0 0.0 0
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64166 29197179 1 SN3O4C15H15 AB3C4D15E15 -84.3 5.59 -9.01 -0.98 0
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64167 29197198 1 FSN3O3C20H24 ABC3D3E20F24 -102.15 3.74 -8.5 -0.56 0
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64168 29197323 1 SN3O3C21H27 AB3C3D21E27 -61.79 6.41 -8.53 -0.13 0
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64169 29197328 1 BrClO2N4C18H20 ABC2D4E18F20 -11.08 4.73 -9.3 -0.79 0
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64170 29197467 1 SF2N4O6H10C15 AB2C4D6E10F15 -103.46 5.51 -9.61 -2.4 0
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64171 29197690 2 NO3C13H15 AB3C13D15 -192.21 4.21 -8.56 -1.21 0
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64172 29197758 1 SO3N4C24H30 AB3C4D24E30 -73.95 8.59 -8.44 -0.47 0
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64173 29197782 1 SO3N4C24H30 AB3C4D24E30 -77.35 7.28 -8.3 -0.43 1
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64174 29197784 1 SO3N4C24H31 AB3C4D24E31 -74.66 5.7 0.0 0.0 0
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64175 29197787 1 FSO3N4C22H25 ABC3D4E22F25 -111.58 5.39 -8.18 -0.82 1
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64176 29197789 1 FSO3N4C22H26 ABC3D4E22F26 -102.86 6.25 0.0 0.0 0
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64177 29197796 1 SN3O3C22H27 AB3C3D22E27 -68.23 6.75 -8.46 -0.15 0
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64178 29197829 1 SO2N3C20H21 AB2C3D20E21 -2.25 2.54 -8.69 -0.6 1
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64179 29197836 1 SN3O3C24H32 AB3C3D24E32 -70.97 7.53 0.0 0.0 0
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64180 29197883 1 SO2N4C25H28 AB2C4D25E28 -8.04 2.33 -8.65 -0.56 0
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64181 29197888 1 SO2N4C25H28 AB2C4D25E28 -7.15 2.88 -8.71 -0.56 0
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64182 29197945 1 SN3O3C22H27 AB3C3D22E27 -50.76 3.29 -8.42 0.0 0
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64183 29197946 1 SN3O3C22H27 AB3C3D22E27 -60.15 7.81 -8.48 -0.13 0
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64184 29197974 1 SN3O3C23H29 AB3C3D23E29 -54.36 2.89 -8.43 0.01 0
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64185 29198004 1 O2S2N3C19H23 A2B2C3D19E23 -6.5 5.65 -8.54 -0.88 0
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64186 29198059 1 BrSO2N3C21H24 ABC2D3E21F24 -19.85 7.27 -7.9 -0.32 0
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64187 29198068 1 SO2N3C17H25 AB2C3D17E25 -55.36 4.75 -8.4 -0.1 0
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64188 29198071 1 SO2N3C17H25 AB2C3D17E25 -47.02 2.42 -8.48 -0.05 0
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64189 29198072 1 SO2N3C17H25 AB2C3D17E25 -56.72 4.66 -8.48 -0.02 0
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64190 29198075 1 ClFSO2N3C21H23 ABCD2E3F21G23 -70.73 3.83 -8.54 -0.94 0
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64191 29198076 1 ClSN2O6C20H21 ABC2D6E20F21 -211.52 2.73 -8.39 -0.52 0
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64192 29198102 1 ClSO2N3C21H24 ABC2D3E21F24 -26.65 4.94 -8.46 -0.89 1
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64193 29198143 1 SO2N3C23H30 AB2C3D23E30 -21.87 5.95 0.0 0.0 0
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64194 29198177 1 N2O3H20C21 A2B3C20D21 -49.46 4.86 -9.36 -0.51 0
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64195 29198192 1 ClSO3N5H20C24 ABC3D5E20F24 67.2 5.12 -9.01 -1.49 0
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64196 29198198 1 N3O4H21C23 A3B4C21D23 -36.79 3.77 -8.84 -0.58 0
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64197 29198232 1 ClFO2N3H13C17 ABC2D3E13F17 -23.22 4.09 -9.72 -0.79 1
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64198 29198233 1 O2S2N3C20H26 A2B2C3D20E26 -5.23 5.72 0.0 0.0 0
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64199 29198238 1 BrSO2N3C16H22 ABC2D3E16F22 -39.11 5.7 -8.67 -0.61 0
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64200 29198244 2 N2O2H9C11 A2B2C9D11 33.27 9.93 -9.23 -1.25 0