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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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390622 135000045 1 BrNO4C14H14 ABC4D14E14 -107.28 1.02 -9.03 -0.59 0
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390623 135000048 1 SiO2C23H30 AB2C23D30 -101.7 2.93 -8.62 -0.48 0
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390624 135000049 1 NF3O4H12C15 AB3C4D12E15 -250.68 4.56 -10.34 -0.88 0
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390625 135000051 1 NO2C18H27 AB2C18D27 -89.59 3.82 -8.05 0.49 -4
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390627 135000060 1 OSeC10H15 ABC10D15 -24.92 3.87 0.0 0.0 0
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390628 135000061 1 NSO2F6H19C23 ABC2D6E19F23 -339.79 2.08 -10.02 -0.86 0
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390629 135000065 1 N2O2C11H14 A2B2C11D14 -43.23 1.11 -9.22 -0.25 0
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390630 135000067 1 BCl2C5H7 AB2C5D7 -43.12 1.65 -9.53 -0.51 0
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390631 135000072 1 ON2C16H24 AB2C16D24 -42.06 3.38 -8.34 0.44 0
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390632 135000073 1 FeNOC18H29 ABCD18E29 335.54 15.01 -6.35 -2.93 0
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390633 135000078 2 BOC25H30 ABC25D30 -67.2 1.26 -8.97 0.08 0
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390634 135000085 1 NOSC21H25 ABCD21E25 -24.49 1.79 -8.21 0.08 0
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390635 135000088 1 NSO3C17H21 ABC3D17E21 -68.29 4.16 -9.24 -0.57 0
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390636 135000089 1 NSO2C16H23 ABC2D16E23 -46.06 5.17 -9.32 -0.51 0
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390637 135000096 1 O2C9H16 A2B9C16 -104.1 3.6 -9.57 0.61 0
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390638 135000097 3 NOH7C9 ABC7D9 -2.58 5.59 -9.17 -0.84 0
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390639 135000098 1 OH24C27 AB24C27 47.5 2.3 -8.92 -0.61 0
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390640 135000104 1 NOSiC27H41 ABCD27E41 -77.68 1.35 -8.76 0.2 0
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390641 135000113 1 F17O25C116H135 A17B25C116D135 -1772.52 5.91 -9.21 -0.52 0
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390642 135000114 1 SiN3O13C47H61 AB3C13D47E61 -455.93 5.22 -8.83 -0.79 0
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390643 135000121 1 N2Si3C35H46 A2B3C35D46 25.55 1.6 -7.34 -0.26 0
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390644 135000125 1 NOH17C18 ABC17D18 43.05 3.43 -9.16 -0.27 0
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390645 135000126 1 OC17H22 AB17C22 -7.54 1.81 -9.35 0.38 0
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390646 135000138 1 NOSnC31H51 ABCD31E51 -78.78 4.6 -8.62 -0.44 0
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390647 135000139 1 Br2S3N4O4H40C48 A2B3C4D4E40F48 90.78 6.84 -8.41 -1.13 0
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390648 135000142 1 OH20C21 AB20C21 13.55 3.01 -9.08 -0.76 0
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390649 135000143 1 ClNO2C14H20 ABC2D14E20 -34.67 4.85 -9.59 -0.53 0
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390650 135000162 1 NSO2C19H31 ABC2D19E31 -99.42 1.74 -8.36 0.28 0
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390651 135000169 1 BrNSO4C28H28 ABCD4E28F28 -98.94 9.04 -9.18 -1.02 0
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390652 135000183 1 SnC21H43 AB21C43 -51.89 0.31 0.0 0.0 0
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390653 135000193 1 OC16H22 AB16C22 -35.41 2.02 -9.43 0.3 0
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390654 135000194 2 OC10H12 AB10C12 -61.53 1.4 -8.79 -0.42 0
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390655 135000200 1 NS2O4H17C19 AB2C4D17E19 -33.73 2.72 -8.88 -1.12 0
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390656 135000206 1 BClOSiC32H46 ABCDE32F46 -112.14 3.28 -8.9 -0.13 0
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390657 135000208 1 NSO2C18H27 ABC2D18E27 -66.31 7.13 -8.49 -0.24 0
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390658 135000209 2 O2C8H11 A2B8C11 -187.06 2.48 -9.84 -0.52 0
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390659 135000213 1 SN2O2H24C27 AB2C2D24E27 45.1 5.1 -8.75 -0.5 0
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390660 135000214 1 B2O5C22H34 A2B5C22D34 -358.51 5.84 -8.28 0.66 0
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390661 135000218 2 ON2C7H14 AB2C7D14 -60.02 5.57 -9.26 0.33 0
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390662 135000220 1 NSO3C18H21 ABC3D18E21 -108.92 4.29 -9.1 -1.31 0
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390663 135000221 1 BBrO2C18H32 ABC2D18E32 -190.73 2.4 -8.97 0.05 0
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390664 135000224 1 N2O2C19H20 A2B2C19D20 4.04 2.83 -8.07 -0.34 0
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390665 135000245 1 FO2N3H12C16 AB2C3D12E16 -67.8 8.19 -9.0 -1.47 0
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390666 135000246 1 ON2H14C17 AB2C14D17 78.33 0.18 -8.88 -1.06 0
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390667 135000251 1 FOSiN2C30H33 ABCD2E30F33 -49.84 6.56 -8.47 -0.15 0
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390668 135000257 1 PN2O4C10H11 AB2C4D10E11 -127.15 2.73 -9.62 -1.38 0
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390669 135000258 1 NO2C14H21 AB2C14D21 -55.37 2.71 -9.41 0.19 0
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390670 135000265 1 NSH9C14 ABC9D14 131.08 0.59 -8.37 -0.82 0
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390671 135000290 1 ClOSF3N3H5C11 ABCD3E3F5G11 -122.62 6.47 -9.66 -1.85 0
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390672 135000291 1 NO5C23H27 AB5C23D27 -131.02 7.45 -9.48 -0.64 0