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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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13830 399232 1 NSO3C8H9 ABC3D8E9 -97.4 6.11 -9.46 -0.91 0
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13831 399255 1 S5H6C7 A5B6C7 27.9 4.24 -8.74 -2.03 0
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13832 399268 1 SO7H10C15 AB7C10D15 -200.9 11.73 -9.02 -1.63 0
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13833 399278 1 PN2O7C14H17 AB2C7D14E17 -320.45 4.96 -9.36 -0.45 0
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13834 399288 2 OSN2C7H8 ABC2D7E8 15.59 2.16 -8.64 -0.97 0
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13835 399289 1 S2O3N4C16H18 A2B3C4D16E18 -30.02 1.82 -8.94 -0.84 0
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13836 399290 1 ClS2O3N4H19C21 AB2C3D4E19F21 -3.15 8.7 -8.92 -1.09 0
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13837 399314 1 BrSN2O2H13C15 ABC2D2E13F15 -10.58 7.07 -8.97 -0.74 0
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13838 399317 1 ClSN2O2C18H19 ABC2D2E18F19 -39.9 1.88 -9.16 -0.73 0
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13839 399319 1 BrSN2O2H15C20 ABC2D2E15F20 15.65 5.82 -9.0 -0.82 0
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13840 399320 1 ClNOSC17H18 ABCDE17F18 -17.68 2.3 -8.93 -0.63 0
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13841 399344 1 S2O4N5H26C27 A2B4C5D26E27 -41.07 12.14 0.0 0.0 1
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13842 399346 1 S2O4N5C29H30 A2B4C5D29E30 -63.41 7.36 0.0 0.0 1
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13843 399347 1 BrS2N5O6C29H30 AB2C5D6E29F30 -172.82 9.62 -7.48 -1.25 0
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13844 399348 1 S2N5O6C29H30 A2B5C6D29E30 -129.56 8.25 0.0 0.0 1
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13845 399349 1 BrS2O4N5H28C31 AB2C4D5E28F31 -38.52 16.44 -7.23 -1.77 0
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13846 399350 1 S2O4N5H28C31 A2B4C5D28E31 -19.99 7.57 0.0 0.0 1
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13847 399351 1 BrS2N4O5C28H29 AB2C4D5E28F29 -119.93 8.27 -8.18 -1.15 0
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13848 399352 1 S2N4O5C28H29 A2B4C5D28E29 -101.83 9.18 0.0 0.0 1
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13849 399353 1 BrS2N4O5C28H29 AB2C4D5E28F29 -78.44 15.06 -8.74 -1.53 0
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13850 399354 1 S2N4O5C28H29 A2B4C5D28E29 -78.08 6.83 0.0 0.0 1
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13851 399359 1 BrSN2O4C23H29 ABC2D4E23F29 -160.81 11.43 -7.71 -1.13 0
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13852 399362 2 N2O3C11H21 A2B3C11D21 -233.4 6.26 -7.37 0.02 0
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13853 399364 2 N2O3C16H24 A2B3C16D24 -234.74 7.4 -8.46 0.0 0
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13854 399374 1 O29C56H92 A29B56C92 -1352.35 6.86 -10.02 0.25 0