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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
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191303 78127720 1 FN5O6C34H42 AB5C6D34E42 -252.89 2.93 -9.13 -0.57 0
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191304 78127770 1 F2O2N4H20C21 A2B2C4D20E21 -79.98 6.42 -8.51 -0.69 0
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191305 78128260 1 N2O10C35H54 A2B10C35D54 -208.58 9.84 -9.02 -0.75 0
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191306 78128419 1 ClNO2C21H26 ABC2D21E26 -95.18 4.18 -9.31 -0.75 0
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191307 78129115 1 ClSF3N3O7H33C35 ABC3D3E7F33G35 -363.17 8.87 -9.33 -1.67 0
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191308 78129182 1 ClF2N4O4C13H15 AB2C4D4E13F15 -153.15 3.38 -10.17 -1.86 0
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191309 78129183 1 N3S3O4C11H13 A3B3C4D11E13 -97.63 3.71 -9.15 -1.72 0
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191310 78129184 2 OSN2C5H6 ABC2D5E6 -22.28 7.46 -9.03 -1.17 0
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191311 78129185 1 S2O3N4C10H10 A2B3C4D10E10 35.5 2.51 -9.11 -1.93 0
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191312 78129186 1 SO2N5C10H11 AB2C5D10E11 57.49 6.2 -8.83 -1.38 0
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191313 78129592 1 N8O13C65H88 A8B13C65D88 -456.79 12.83 -8.26 -0.93 0
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191314 78129593 1 ClNO5C22H24 ABC5D22E24 -131.94 0.99 -9.11 -0.36 0
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191315 78129649 1 O13N14C54H80 A13B14C54D80 -565.69 8.4 -9.04 -0.31 0
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191316 78129869 1 O3C7H8 A3B7C8 -65.39 2.35 -9.59 -0.21 0
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191317 78129928 1 NO5C15H17 AB5C15D17 -92.99 5.75 -9.82 -1.28 0
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191318 78130488 1 N5O10C31H39 A5B10C31D39 -346.9 6.32 -8.82 -0.69 0
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191319 78130747 1 NO4C16H25 AB4C16D25 -107.23 3.83 -10.55 -0.88 1
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191320 78131193 1 SN4O5C23H23 AB4C5D23E23 -157.11 7.47 0.0 0.0 0
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191321 78131319 2 O9N12C45H85 A9B12C45D85 -1065.8 15.3 -9.14 0.23 0
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191322 78131320 1 NCl6O19C58H61 AB6C19D58E61 -720.85 7.51 -9.98 -1.26 0
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191323 78131708 2 O2C11H18 A2B11C18 -218.23 2.33 -9.81 1.54 0
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191324 78131988 2 FSN2O2C9H10 ABC2D2E9F10 -161.59 6.86 -8.88 -0.82 0
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191325 78131989 1 F2S2N3O4C18H19 A2B2C3D4E18F19 -152.12 8.05 -9.21 -1.07 0
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191326 78131990 1 F2O2S2N5C17H19 A2B2C2D5E17F19 -69.26 5.93 -8.27 -0.74 0
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191327 78132305 1 O3S3N5C22H27 A3B3C5D22E27 -32.7 5.52 -8.77 -1.26 0