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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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448422 135290777 1 O7F10N10C51H60 A7B10C10D51E60 -633.71 4.91 -8.33 -1.16 0
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448423 135290784 1 ON2F4H6C11 AB2C4D6E11 -151.48 4.72 -10.11 -1.42 0
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448424 135290797 1 BrO2N3C12H12 AB2C3D12E12 -31.36 6.79 -9.39 -0.97 0
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448425 135290798 1 IF4N5O5C31H38 AB4C5D5E31F38 -352.05 5.87 -9.19 -0.98 0
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448426 135290800 2 FNOH6C7 ABCD6E7 -99.21 7.5 -9.57 -1.19 0
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448427 135290817 1 IF4N5O5C31H38 AB4C5D5E31F38 -363.46 7.8 -9.22 -0.9 0
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448428 135290820 1 IO2N3C15H22 AB2C3D15E22 -42.73 2.59 -8.53 -0.76 0
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448429 135290824 1 O4N9F12C45H51 A4B9C12D45E51 -640.48 7.59 -9.3 -1.42 0
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448430 135290853 1 ClOF3N4H12C13 ABC3D4E12F13 -127.45 3.81 -9.64 -2.02 0
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448431 135290857 1 OSF3N3C18H18 ABC3D3E18F18 -109.92 3.38 -8.62 -1.47 0
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448432 135290861 1 F3O3N4H17C20 A3B3C4D17E20 -166.09 9.7 -9.25 -1.83 0
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448433 135290864 1 SN3C7H13 AB3C7D13 26.52 2.64 -8.29 0.52 0
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448434 135290869 1 SO2N3C17H19 AB2C3D17E19 -4.22 3.91 -8.9 -1.06 0
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448435 135290892 1 N2S2O7C26H28 A2B2C7D26E28 -187.14 9.41 -8.56 -1.39 0
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448437 135290917 1 NOC14H25 ABC14D25 -83.38 2.8 -8.81 2.49 0
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448439 135290968 1 IN2C5H7 AB2C5D7 31.0 4.49 -8.9 -2.62 0
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448440 135290983 1 ClC12H17 AB12C17 -26.13 1.46 -9.05 0.26 0
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448441 135290986 1 ClNC11H16 ABC11D16 -16.38 2.11 -9.12 -0.12 0
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448442 135290997 1 NC13H21 AB13C21 -18.51 2.76 -9.23 0.3 0
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448443 135290998 1 ClNC10H14 ABC10D14 -10.4 0.47 -9.63 -0.23 0
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448444 135291016 1 ClNC10H14 ABC10D14 -7.19 1.67 -9.75 -0.22 0
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448445 135291017 1 ClNC11H16 ABC11D16 -16.37 2.16 -9.13 -0.07 0
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448446 135291018 1 ClNC11H16 ABC11D16 -6.7 4.76 -9.31 -0.2 0
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448447 135291021 1 ClNC11H16 ABC11D16 -9.22 3.4 -9.27 -0.17 0
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448448 135291024 1 NC13H21 AB13C21 -10.33 1.39 -8.32 0.61 0