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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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32101 4266060 1 SN2O5H18C21 AB2C5D18E21 -73.08 2.3 -8.3 -0.67 0
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32102 4266061 1 SO3F4N5H9C12 AB3C4D5E9F12 -172.09 5.71 -9.74 -1.96 0
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32103 4266069 1 BrN2O2C18H23 AB2C2D18E23 -38.1 4.93 -9.15 -0.37 0
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32104 4266070 1 ClN3O7H20C32 AB3C7D20E32 -68.23 6.24 -9.36 -2.2 0
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32105 4266071 1 ClN3O5H18C25 AB3C5D18E25 -105.41 2.08 -9.63 -1.82 0
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32106 4266073 1 FN3O3C22H26 AB3C3D22E26 -165.28 7.77 -8.76 -1.25 0
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32107 4266075 1 Cl2S2N3O3C17H19 A2B2C3D3E17F19 -81.15 7.72 -9.03 -1.14 0
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32108 4266089 1 SBr2O2N4H12C18 AB2C2D4E12F18 114.21 3.71 -9.54 -1.32 0
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32109 4266090 1 BrClON3H19C20 ABCD3E19F20 41.25 6.37 -8.61 -0.58 0
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32110 4266094 1 ClO2C21H29 AB2C21D29 -127.73 5.28 -9.97 -0.19 0
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32111 4266095 1 NO2C22H31 AB2C22D31 -107.54 5.54 -9.98 0.09 0
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32112 4266096 1 OCl2N7C20H25 AB2C7D20E25 24.53 5.96 -8.7 -0.92 0
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32113 4266097 1 SN4O4H14C20 AB4C4D14E20 56.2 8.32 -8.87 -1.65 0
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32114 4266098 1 FOSN3H16C22 ABCD3E16F22 39.83 1.1 -8.8 -0.98 0
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32115 4266115 1 O2N3C23H25 A2B3C23D25 -25.98 5.3 -8.5 -0.12 0
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32116 4266149 3 NOC7H7 ABC7D7 -5.95 9.07 -8.45 -0.82 0
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32117 4266150 1 ClON2C23H23 ABC2D23E23 3.87 4.93 -8.55 -0.41 0
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32118 4266152 1 FBr2N4O4H25C35 AB2C4D4E25F35 -63.85 2.82 -9.3 -0.83 0
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32119 4266154 1 NSO2Cl3H12C22 ABC2D3E12F22 -8.71 3.06 -9.1 -1.55 0
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32120 4266155 1 SO4N5C22H23 AB4C5D22E23 -89.2 2.32 -9.26 -0.87 0
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32121 4266156 1 Cl2O2N3C28H31 A2B2C3D28E31 -36.62 6.32 -8.31 -0.4 1
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32122 4266159 1 O2H19C24 A2B19C24 26.47 2.03 0.0 0.0 0
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32123 4266162 1 N3O3C12H13 A3B3C12D13 -54.51 4.67 -9.67 -0.99 0
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32124 4266168 1 BrN2O5H15C21 AB2C5D15E21 -103.99 3.59 -9.17 -1.59 0
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32125 4266207 3 NOSH7C8 ABCD7E8 8.3 7.56 -8.48 -1.24 0
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32126 4266208 1 BrNO4H18C19 ABC4D18E19 -112.68 3.49 -8.8 -0.8 0
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32127 4266220 1 N3O5C20H23 A3B5C20D23 -143.64 5.74 -9.41 -0.48 0
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32128 4266322 1 ClO5H15C19 AB5C15D19 -157.18 4.63 -8.72 -1.28 0
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32129 4266323 1 SF2N3O3H15C17 AB2C3D3E15F17 -152.03 2.88 -8.6 -0.75 0
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32130 4266324 1 ClSF3N3O5H17C19 ABC3D3E5F17G19 -244.21 5.73 -9.52 -1.82 0
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32131 4266326 1 ClSN4O5H19C21 ABC4D5E19F21 -119.01 8.53 -8.58 -1.3 0
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32132 4266327 1 ClS2O4N5H20C25 AB2C4D5E20F25 31.41 5.52 -9.28 -1.93 0
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32133 4266328 1 ClFOSN3H17C22 ABCDE3F17G22 32.92 2.38 -8.79 -0.77 0
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32134 4266335 1 ClN3O3C11H12 AB3C3D11E12 -100.33 3.27 -9.44 -0.93 0
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32135 4266337 1 SO3N5H17C21 AB3C5D17E21 3.13 7.47 -8.41 -1.32 0
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32136 4266338 2 N3H8C11 A3B8C11 174.89 10.08 -8.85 -1.34 0
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32137 4266339 1 ClSN3O3H20C27 ABC3D3E20F27 -3.64 5.4 -8.69 -1.37 0
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32138 4266340 1 N2O2C29H30 A2B2C29D30 -1.71 5.6 -8.98 -0.85 0
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32139 4266341 1 ClNO3H22C27 ABC3D22E27 -48.13 2.95 -9.08 -1.12 0
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32140 4266347 2 NSO2C10H13 ABC2D10E13 -140.83 5.15 -8.57 -0.35 0
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32141 4266348 1 N3O5H13C14 A3B5C13D14 -23.83 7.65 -9.28 -1.19 0
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32142 4266362 1 NSO5H21C27 ABC5D21E27 -82.49 5.26 -9.08 -1.44 0
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32143 4266376 1 N3O9C45H61 A3B9C45D61 -311.24 4.57 -8.65 -0.16 0
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32144 4266377 1 ClN3O8C39H58 AB3C8D39E58 -292.16 5.24 -8.41 0.04 0
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32145 4266378 1 ClSN2O8C43H59 ABC2D8E43F59 -295.51 6.27 -8.72 -0.35 0
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32146 4266383 1 N2S2O3C29H32 A2B2C3D29E32 -54.67 6.1 -8.53 -0.89 0
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32147 4266384 1 N2S2O3C20H26 A2B2C3D20E26 -71.72 6.25 -9.24 -0.27 0
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32148 4266385 1 ClN3O6C23H26 AB3C6D23E26 -216.89 4.76 -9.21 -0.28 0
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32149 4266386 1 FSN2O2C27H29 ABC2D2E27F29 -57.67 3.05 -9.22 -0.31 0
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32150 4266387 1 N3O5C30H39 A3B5C30D39 -156.85 7.65 -8.5 0.01 0
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32151 4266392 1 N3O3C25H29 A3B3C25D29 -58.71 6.28 -8.85 -0.79 0
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32152 4266393 1 SO2N5C35H49 AB2C5D35E49 -59.53 4.63 -8.8 -0.39 0
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32153 4266408 1 ClOF3N7C22H23 ABC3D7E22F23 -109.04 4.8 -8.56 -0.76 0
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32154 4266412 1 O4N7C26H37 A4B7C26D37 -55.97 4.11 -9.36 -1.55 0
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32155 4266413 3 OC6H6 AB6C6 -92.43 6.01 -8.8 -0.88 0
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32156 4266414 1 SO2Cl3N4H33C35 AB2C3D4E33F35 23.43 4.62 -8.19 -0.68 -1
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32157 4266415 1 NSO5H8C10 ABC5D8E10 -117.7 9.68 0.0 0.0 0
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32158 4266416 1 NSO5H9C10 ABC5D9E10 -186.13 8.39 -10.05 -1.0 0
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32159 4266417 1 SN3O3H27C29 AB3C3D27E29 -9.06 8.17 -8.27 -1.05 0
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32160 6435730 1 ClNO4C22H26 ABC4D22E26 -123.23 2.78 -9.16 -0.67 0
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32161 6435732 1 NO7C25H29 AB7C25D29 -223.72 16.08 -9.27 -1.19 0
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32162 6435736 1 NO3C23H29 AB3C23D29 -62.6 2.0 -8.63 -0.29 0
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32163 6435737 1 NO10C30H37 AB10C30D37 -370.85 32.41 -8.71 -1.47 0
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32164 6435738 1 NO3C24H29 AB3C24D29 -59.43 5.68 -8.65 -0.18 0
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32165 6435739 1 N2O11C32H38 A2B11C32D38 -370.16 7.74 -8.6 -1.39 0
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32166 6435740 1 N2O3C24H30 A2B3C24D30 -44.94 6.9 -8.66 -0.14 0
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32167 6435741 1 ClNO10C28H34 ABC10D28E34 -405.82 6.0 -8.88 -0.94 0
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32168 6435742 1 ClNO3C22H26 ABC3D22E26 -69.83 2.36 -8.57 -0.62 0
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32169 6435743 1 ClNO9C28H36 ABC9D28E36 -342.41 6.41 -8.64 -0.98 0
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32170 6435744 1 ClNO3C24H30 ABC3D24E30 -78.35 3.64 -8.54 -0.59 0
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32171 6435745 1 NCl2O3C23H27 AB2C3D23E27 -72.02 9.03 -9.06 -1.34 0
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32172 6435749 1 NOS3C22H27 ABC3D22E27 22.53 5.06 -8.54 -0.74 0
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32173 6435750 1 NO2S2C18H19 AB2C2D18E19 9.56 6.0 -8.55 -0.99 0
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32174 6435751 1 O7H14C17 A7B14C17 -233.08 4.77 -8.82 -1.12 0
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32175 6435752 1 N2O7C30H40 A2B7C30D40 -282.62 2.48 -8.0 -1.53 0