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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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177052 76131155 1 N2O13C18H32 A2B13C18D32 -562.8 8.69 -10.21 -0.9 0
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177053 76131217 1 PN4O6C19H39 AB4C6D19E39 -375.87 4.28 -9.58 0.19 0
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177054 76131218 1 N3O5C22H33 A3B5C22D33 -239.06 2.67 -8.31 -0.18 0
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177055 76131219 1 FN2O5C25H45 AB2C5D25E45 -356.67 5.24 -10.35 -0.32 0
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177056 76131220 1 O9C60H110 A9B60C110 -603.35 6.55 -10.36 -1.44 -1
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177057 76131330 1 O4C19H19 A4B19C19 -81.23 16.64 0.0 0.0 0
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177058 76131331 1 O4C19H20 A4B19C20 -153.94 5.4 -9.02 -0.58 1
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177059 76131710 1 FN2O7C18H28 AB2C7D18E28 -371.02 2.72 0.0 0.0 0
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177060 76131786 1 N4O7C27H32 A4B7C27D32 -261.4 7.46 -8.9 -0.04 0
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177061 76132165 1 F3O7C8H11 A3B7C8D11 -454.34 3.65 -10.6 -0.85 1
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177062 76132267 1 S2O5N6H21C23 A2B5C6D21E23 -14.71 11.77 0.0 0.0 0
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177063 76132268 1 OSSiC15H30 ABCD15E30 -118.03 2.21 -8.74 -0.66 0
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177064 76132269 1 NO2C11H23 AB2C11D23 -97.75 2.27 -7.86 1.5 0
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177065 76132270 1 O9C48H76 A9B48C76 -529.0 6.5 -9.72 0.53 0
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177066 76132271 1 SO3C20H32 AB3C20D32 -157.64 3.69 -8.62 0.55 0
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177067 76132272 1 Cl2N3O4C33H33 A2B3C4D33E33 -56.62 6.32 -8.82 -0.93 0
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177068 76132273 1 N2O2S2C17H20 A2B2C2D17E20 -47.86 2.76 -9.09 -0.31 0
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177069 76132274 1 F3N5O7C33H34 A3B5C7D33E34 -161.23 10.04 -9.1 -0.3 0
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177070 76132275 1 SN3O3C28H33 AB3C3D28E33 -64.08 6.27 -8.33 -0.54 0
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177071 76132276 1 N2O2C13H16 A2B2C13D16 -57.9 3.25 -9.92 -1.2 0
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177072 76132277 1 N2O2C21H24 A2B2C21D24 -39.86 4.02 -8.35 0.13 0
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177073 76132278 1 Br2N2O3H8C11 A2B2C3D8E11 -38.09 3.66 -10.1 -2.54 0
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177074 76132541 1 NO3C17H29 AB3C17D29 -162.08 2.67 -9.49 0.56 0
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177075 76132542 1 FS4O5N6H15C17 AB4C5D6E15F17 -84.98 8.58 -8.83 -1.25 0
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177076 76132543 1 FO3N4C39H53 AB3C4D39E53 -85.9 7.66 -8.7 -1.54 0
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177077 76132544 1 NO5C16H23 AB5C16D23 -225.62 6.68 -9.95 -0.27 0
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177078 76133073 1 N5O8C44H83 A5B8C44D83 -471.33 5.7 -9.53 -0.45 0
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177079 76133074 1 O7C25H46 A7B25C46 -382.6 6.91 -9.65 -0.35 0
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177080 76133075 1 N4O7C36H62 A4B7C36D62 -381.54 4.91 -9.91 -0.51 0
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177081 76133138 1 S3N9O9H21C25 A3B9C9D21E25 -144.8 3.95 -8.93 -1.52 0
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177082 76133139 1 NS2O4C6H11 AB2C4D6E11 -167.88 1.77 -9.42 -0.27 0
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177083 76133140 1 N2O7C24H30 A2B7C24D30 -248.33 3.82 -8.74 -0.37 0
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177084 76133141 1 N2O3C29H58 A2B3C29D58 -251.62 1.34 -9.35 0.26 0
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177085 76133267 1 ClS2N5O7C22H22 AB2C5D7E22F22 -175.48 4.71 -9.64 -2.0 0
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177086 76133494 1 N5O6C12H15 A5B6C12D15 -120.43 4.19 -10.18 -1.72 1
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177087 76133524 1 S3O5N6H19C21 A3B5C6D19E21 -2.18 13.83 0.0 0.0 0
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177088 76133560 1 SN2O3C39H40 AB2C3D39E40 -24.96 3.46 -8.38 -0.21 0
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177089 76133561 1 O2N5F6C37H39 A2B5C6D37E39 -271.97 7.36 -8.91 -1.52 0
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177090 76133562 1 NO4C24H31 AB4C24D31 -129.35 5.1 -9.86 -0.74 0
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177091 76134314 1 N3O4C29H33 A3B4C29D33 -58.3 1.73 -8.74 -0.61 0
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177092 76134382 1 ON2C11H16 AB2C11D16 45.41 3.47 -8.51 -0.06 0
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177093 76134990 1 N2O3C9H16 A2B3C9D16 -131.69 6.71 -9.62 -0.39 0
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177094 76135139 1 IO3C14H21 AB3C14D21 -107.16 1.62 -9.3 -2.62 0
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177095 76135274 1 SN5O7C34H55 AB5C7D34E55 -357.37 4.59 -8.53 0.01 0
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177096 76135275 1 ClO5C21H33 AB5C21D33 -257.15 7.99 -9.99 0.42 0
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177097 76135276 1 S2N3O4H29C34 A2B3C4D29E34 -9.77 2.0 -9.16 -1.24 0
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177098 76135331 1 N5O6C37H45 A5B6C37D45 -219.59 6.08 -9.06 -0.7 0
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177099 76135365 1 N11O16C41H61 A11B16C41D61 -663.64 4.03 -9.32 -0.8 0
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177100 76135366 4 NOC8H12 ABC8D12 -48.53 4.41 -8.73 -0.62 0
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177101 76135367 1 N2O4C13H18 A2B4C13D18 -121.73 6.18 -8.46 -0.07 0