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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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406534 135077967 1 NSO2C17H23 ABC2D17E23 -14.73 6.35 -9.59 -0.32 0
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406535 135077968 1 NSO2C15H19 ABC2D15E19 -17.89 6.26 -9.62 -0.37 0
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406536 135077969 1 NSO2C17H21 ABC2D17E21 14.87 6.44 -9.52 -0.4 0
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406537 135077970 1 NSO2C21H23 ABC2D21E23 4.55 6.03 -9.22 -0.35 0
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406538 135078004 2 NC5H8 AB5C8 28.84 2.38 -8.24 0.42 0
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406539 135078008 1 NSO2C19H27 ABC2D19E27 -64.54 5.45 -9.36 -0.36 0
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406540 135078013 1 NS2O3C25H35 AB2C3D25E35 -108.98 3.99 -8.6 0.12 -2
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406542 135078015 1 CrO4H20C23 AB4C20D23 -6.43 2.79 -7.5 -0.4 0
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406543 135078016 1 OC20H20 AB20C20 47.38 1.32 -8.48 -0.4 0
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406544 135078017 1 CrO4H16C17 AB4C16D17 47.03 4.35 -7.61 -0.4 0
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406545 135078018 1 OC14H16 AB14C16 -26.23 3.71 -8.71 0.05 0
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406546 135078019 1 BNF3C14H29 ABC3D14E29 -260.62 18.1 -9.09 -0.56 0
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406547 135078020 1 BNF3C10H21 ABC3D10E21 -237.29 18.32 -9.73 -0.59 0
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406548 135078022 1 NOPC22H22 ABCD22E22 -16.8 2.66 -9.25 -0.02 0
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406549 135078023 1 BrNC18H18 ABC18D18 81.44 1.37 -8.31 -0.25 0
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406550 135078025 1 BrMgOC6H13 ABCD6E13 -126.24 3.6 -9.96 -0.57 0
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406551 135078026 1 BrMgOSiC6H15 ABCDE6F15 -162.2 6.66 -9.43 -0.33 0
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406552 135078027 1 SN2O5C18H22 AB2C5D18E22 -167.56 8.29 -8.89 -0.97 0
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406553 135078028 1 ON2F3C5H5 AB2C3D5E5 -177.09 5.58 -10.48 -0.42 0
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406554 135078029 1 F3O3N4C20H21 A3B3C4D20E21 -166.91 5.33 -8.61 -1.21 0
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406555 135078030 1 F3O3N4C20H21 A3B3C4D20E21 -165.34 4.68 -8.6 -1.33 0
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406556 135078031 1 O2Cl3N4H15C17 A2B3C4D15E17 22.46 2.02 -8.76 -1.49 0
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406557 135078032 1 O2Cl3N4H15C17 A2B3C4D15E17 26.31 1.09 -8.71 -1.43 0
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406558 135078033 1 ClO2F3N4H16C18 AB2C3D4E16F18 -120.06 6.88 -8.74 -1.46 -1
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406559 135078035 1 CdC2F5 AB2C5 -216.94 5.93 0.0 0.0 0
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406560 135078037 1 OCl2C11H16 AB2C11D16 -75.09 3.03 -10.09 -0.44 0
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406561 135078042 1 OSiC28H30 ABC28D30 28.32 3.0 -8.74 -0.4 0
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406562 135078043 1 NSnC17H37 ABC17D37 -41.42 1.35 -7.88 0.84 0
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406563 135078050 1 SN3O4H17C20 AB3C4D17E20 12.68 9.8 -9.32 -1.48 0
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406564 135078054 1 SeO2C16H20 AB2C16D20 -54.45 3.03 -8.54 -0.54 0
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406565 135078056 1 O4C11H16 A4B11C16 -157.6 2.45 -10.52 -0.25 0
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406566 135078064 1 OS2C17H22 AB2C17D22 1.22 1.29 -8.72 -0.14 0
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406567 135078074 1 NO2C16H19 AB2C16D19 9.06 1.7 -9.41 0.26 0
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406568 135078076 1 ClN2O2H11C14 AB2C2D11E14 50.56 3.16 -9.18 -1.74 0
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406569 135078077 1 NSSiO3C21H29 ABCD3E21F29 -79.05 6.34 -8.74 -0.46 0
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406570 135078087 1 N3H11C12 A3B11C12 60.89 1.57 -8.2 -0.22 0
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406571 135078091 1 O11H36C42 A11B36C42 -326.13 3.41 -9.62 -0.64 0
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406572 135078092 1 SO6C36H38 AB6C36D38 -167.79 3.88 -8.58 -0.02 0
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406573 135078093 3 O2C9H10 A2B9C10 -184.99 1.69 -9.38 0.21 0
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406574 135078094 1 N2O3H20C22 A2B3C20D22 49.27 6.99 -9.66 -1.54 0
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406575 135078095 1 NO2C23H23 AB2C23D23 11.07 2.15 -8.77 -0.13 0
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406576 135078096 1 NOC17H27 ABC17D27 -54.85 2.25 -8.6 0.25 0
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406577 135078098 1 N3O3C26H29 A3B3C26D29 -92.0 6.37 -8.42 -0.35 0
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406578 135078099 1 NO3H15C18 AB3C15D18 -16.02 1.44 -8.61 -0.95 0
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406579 135078100 6 OC5H5 AB5C5 -158.69 2.39 -9.35 -0.5 0
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406580 135078101 1 ClO8C29H35 AB8C29D35 -301.76 6.03 -9.39 0.08 0
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406582 135078103 1 SiN2O2C13H18 AB2C2D13E18 -58.9 1.1 -9.53 -0.23 1
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406583 135078104 1 SiN2O2C13H19 AB2C2D13E19 -39.37 2.44 0.0 0.0 0
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406584 135078105 1 SiN2O2C14H20 AB2C2D14E20 -62.24 1.22 -9.46 -0.25 1
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406585 135078106 1 SiN2O2C14H21 AB2C2D14E21 -44.41 2.54 0.0 0.0 0