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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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191278 78124545 1 ClNSO2H14C17 ABCD2E14F17 9.65 4.51 -9.03 -1.44 0
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191279 78124746 1 ClFN3O4H15C19 ABC3D4E15F19 -129.74 3.26 -9.72 -1.42 0
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191280 78124747 1 S2N3O4C30H43 A2B3C4D30E43 -150.17 3.1 -9.26 -1.43 0
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191281 78124748 1 S2N3O5C31H37 A2B3C5D31E37 -141.85 2.5 -9.3 -1.49 0
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191282 78124781 2 FOH5C7 ABC5D7 -89.16 2.66 -9.18 -1.2 0
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191283 78125527 1 O3N4H28C34 A3B4C28D34 110.05 3.98 -8.99 -0.74 0
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191284 78125528 1 FeO3N4C40H42 AB3C4D40E42 148.13 2.13 -7.62 -0.7 0
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191285 78125542 1 BrSN5H16C22 ABC5D16E22 177.65 5.05 -8.56 -1.03 0
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191286 78125725 1 ClOS2N5H20C28 ABC2D5E20F28 149.0 7.97 -8.65 -1.54 0
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191287 78125868 1 N6O9C29H46 A6B9C29D46 -399.8 7.14 -9.73 -0.02 0
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191288 78125887 1 N30O34C109H188 A30B34C109D188 -1729.41 18.55 -9.22 -1.16 0
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191289 78125888 1 O4N5C35H47 A4B5C35D47 -157.61 6.14 -8.72 -0.36 0
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191290 78125981 1 O2N4C33H40 A2B4C33D40 -30.36 4.0 -7.79 0.04 0
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191291 78125982 1 FSN2O5C13H19 ABC2D5E13F19 -267.7 5.87 -9.07 -0.96 2
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191292 78126212 1 MnSO2N3C13H13 ABC2D3E13F13 82.7 1.14 0.0 0.0 2
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191293 78126213 1 CoSO2N3C13H13 ABC2D3E13F13 44.26 26.76 0.0 0.0 2
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191294 78126214 1 MnSO2N3C13H13 ABC2D3E13F13 83.59 1.98 0.0 0.0 0
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191295 78127074 1 NO4C47H63 AB4C47D63 -64.48 5.73 -8.58 -1.1 0
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191296 78127077 1 NO4C40H57 AB4C40D57 -165.24 8.53 -9.15 -0.85 0
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191297 78127078 1 N3O4C44H63 A3B4C44D63 -149.89 6.16 -9.05 -0.68 0
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191298 78127098 1 SO29N34C119H174 AB29C34D119E174 -1217.33 9.46 -8.34 -0.22 0
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191299 78127278 1 N2O5C30H32 A2B5C30D32 -148.83 6.11 -9.36 -0.27 0
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191300 78127279 1 N3O4C26H39 A3B4C26D39 -193.8 2.06 -9.24 0.13 0
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191301 78127531 1 FSN4O4C26H31 ABC4D4E26F31 -131.84 10.71 -8.44 -0.61 0
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191302 78127715 1 FN2O3C19H19 AB2C3D19E19 -146.28 0.93 -8.94 -0.43 0