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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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170048 75187846 1 SO3N4C17H20 AB3C4D17E20 -49.13 4.9 -9.12 -0.71 0
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170049 75187847 1 SO3N4C18H22 AB3C4D18E22 -53.2 5.96 -9.14 -0.73 0
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170050 75187848 1 SO3N4C18H22 AB3C4D18E22 -54.07 5.54 -9.11 -0.69 0
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170051 75189372 1 O4N5C20H25 A4B5C20D25 -105.49 6.19 -9.07 -0.62 0
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170052 75189557 1 SCl2O2N5C29H35 AB2C2D5E29F35 -63.62 4.87 -8.56 -0.75 0
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170053 75189698 1 ClOSN6C29H31 ABCD6E29F31 93.99 9.34 -8.33 -1.75 0
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170054 75189758 1 BrNO5C20H24 ABC5D20E24 -181.89 3.37 -8.48 -0.58 0
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170055 75190663 1 ClSN2O2C19H23 ABC2D2E19F23 -87.46 5.3 -8.72 -0.62 0
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170056 75190664 1 ClSN2O2C21H27 ABC2D2E21F27 -94.47 4.39 -8.74 -0.62 0
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170057 75190665 1 ClSN3O4C24H30 ABC3D4E24F30 -177.87 4.06 -8.76 -0.63 0
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170058 75190940 1 SN2O2C27H32 AB2C2D27E32 -59.67 8.44 -8.82 -0.53 0
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170059 75190941 1 SN2O3C28H34 AB2C3D28E34 -90.61 8.94 -8.8 -0.57 2
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170061 75191132 1 SN3O3C26H27 AB3C3D26E27 -54.59 6.31 -8.8 -0.77 2
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170062 75191156 1 N3O4H25C26 A3B4C25D26 -45.46 8.83 -9.01 -0.7 0
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170063 75192036 1 SO2N3H25C26 AB2C3D25E26 17.49 6.7 -8.12 -1.78 0
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170064 75192037 1 SO2N3C25H29 AB2C3D25E29 -23.41 5.14 -8.65 -1.56 0
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170065 75192038 1 FSN3O3C25H30 ABC3D3E25F30 -144.23 2.07 -8.75 -0.56 0
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170066 75192432 1 ClO2N3C16H18 AB2C3D16E18 -52.17 5.85 -8.83 -0.29 0
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170067 75192613 1 FSN3O3C12H14 ABC3D3E12F14 -132.47 8.34 -9.89 -1.04 1
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170068 75192614 1 OSN6C8H11 ABC6D8E11 92.19 4.88 0.0 0.0 0
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170069 75192632 1 FeN4O16C42H48 AB4C16D42E48 -535.97 15.3 -8.58 -1.69 0
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170070 75192832 1 ClNO4C18H26 ABC4D18E26 -199.24 4.09 -8.77 -0.52 0
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170071 75192883 1 O2N3C23H31 A2B3C23D31 -28.68 4.64 -8.68 -0.19 0
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170072 75193114 2 OSN2C9H12 ABC2D9E12 -19.4 3.94 -8.43 -1.34 0
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170073 75193255 1 ON3C6H9 AB3C6D9 -10.69 3.17 -9.51 -0.13 0