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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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400949 135049561 1 GeS2C22H22 AB2C22D22 69.08 2.38 -8.35 0.1 0
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400950 135049562 1 GeS2C23H24 AB2C23D24 57.53 2.16 -8.46 0.23 0
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400951 135049563 1 GeS2H26C28 AB2C26D28 93.05 2.12 -8.41 -0.2 0
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400952 135049567 1 SiO3H24C26 AB3C24D26 -59.7 2.46 -9.17 -0.03 -1
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400953 135049568 1 NSiC11H24 ABC11D24 -38.23 1.32 0.0 0.0 0
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400954 135049569 1 OSiC18H28 ABC18D28 -65.87 1.83 -9.07 0.5 0
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400955 135049570 1 OC13H22 AB13C22 -72.4 3.29 -9.22 0.87 0
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400956 135049571 1 SiZrC21H30 ABC21D30 105.66 18.23 -5.68 -2.1 0
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400957 135049572 1 GeSi2N4C18H42 AB2C4D18E42 -104.42 6.27 -8.07 -0.84 0
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400958 135049573 1 GeS4Si8C34H78 AB4C8D34E78 -106.58 6.33 -5.56 -3.03 0
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400959 135049574 2 GeSC14H18 ABC14D18 37.59 2.16 -8.09 0.2 0
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400960 135049575 1 Ge2N2C41H54 A2B2C41D54 66.01 2.29 -6.88 -0.59 0
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400961 135049576 1 OGe2C4H14 AB2C4D14 -56.96 1.01 -9.29 1.27 0
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400962 135049577 1 SiO2H28C30 AB2C28D30 -23.72 2.88 -9.05 -0.15 0
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400963 135049578 1 SiO2H26C30 AB2C26D30 17.33 3.35 -9.08 -0.38 0
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400964 135049579 1 Si3O4C50H56 A3B4C50D56 -179.62 0.95 -9.07 -0.09 0
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400965 135049581 1 SiO2H28C30 AB2C28D30 -25.63 3.18 -9.05 -0.02 0
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400966 135049582 1 SSiN2O2C17H22 ABC2D2E17F22 -47.49 6.48 -9.09 -0.45 0
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400967 135049585 1 SiO2C17H18 AB2C17D18 -87.95 4.04 -9.31 -0.15 0
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400968 135049586 1 SiO2H22C25 AB2C22D25 -35.2 1.69 -9.27 -0.11 0
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400969 135049587 1 SiO2C19H24 AB2C19D24 -51.67 3.91 -8.86 0.02 0
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400970 135049601 1 CuLiSiN2C17H20 ABCD2E17F20 161.54 2.21 -6.92 -0.66 0
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400971 135049602 1 BrHMgS ABCD -47.1 1.52 -9.61 -0.6 0
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400972 135049604 1 OSiC18H34 ABC18D34 -104.97 1.42 -9.04 0.95 0
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400973 135049605 1 OSiC20H24 ABC20D24 -4.98 1.68 -9.14 -0.01 0
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400974 135049606 1 OSiH26C28 ABC26D28 42.96 1.69 -9.23 0.01 0
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400975 135049607 1 OSiH30C35 ABC30D35 92.32 1.67 -9.17 -0.11 0
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400976 135049608 1 OSiC20H30 ABC20D30 -43.85 1.61 -9.23 0.37 0
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400977 135049609 1 NC19H35 AB19C35 -16.67 3.88 -9.57 1.34 0
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400978 135049610 1 NC21H29 AB21C29 -6.53 4.04 -8.98 0.46 0
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400979 135049611 1 NO4C10H17 AB4C10D17 -133.39 5.42 -10.92 -0.45 0
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400980 135049612 1 SO2N3C17H27 AB2C3D17E27 -72.5 6.51 -8.4 -0.57 0
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400981 135049613 1 BOSF4C19H29 ABCD4E19F29 -391.61 20.81 -10.19 -1.46 0
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400982 135049614 1 BrNSO2H14C15 ABCD2E14F15 -26.12 6.13 -8.8 -0.64 0
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400983 135049615 2 SO4C6H9 AB4C6D9 -347.24 2.75 -9.35 -0.71 0
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400984 135049616 1 PN2C30H53 AB2C30D53 -11.42 5.26 -7.44 0.83 0
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400985 135049622 1 FeP2O4C28H28 AB2C4D28E28 24.08 1.41 -7.86 -0.06 1
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400986 135049626 1 ON2C5H7 AB2C5D7 26.36 2.75 0.0 0.0 1
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400987 135049628 1 ON2C6H9 AB2C6D9 21.14 3.06 0.0 0.0 0
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400988 135049629 1 NP2C41H67 AB2C41D67 -25.51 4.91 -7.79 -0.25 0
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400989 135049663 1 NO4C17H27 AB4C17D27 -210.56 1.49 -8.6 -0.18 0
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400990 135049664 1 ClNPH23C25 ABCD23E25 64.47 5.87 -8.76 -0.09 0
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400991 135049666 1 O3S3C11H14 A3B3C11D14 -88.81 2.49 -9.05 -1.24 0
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400992 135049668 1 NOC12H21 ABC12D21 -46.3 3.43 -10.47 -0.38 0
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400993 135049671 1 NOPC26H44 ABCD26E44 -22.7 4.42 -7.1 0.48 0
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400995 135049673 1 NOPSi2C15H26 ABCD2E15F26 -253.67 7.15 -8.3 -0.54 0
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400996 135049681 1 BOSF4C22H29 ABCD4E22F29 -375.25 21.73 -10.69 -1.82 0
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400997 135049714 1 BrNOH14C16 ABCD14E16 4.41 5.82 -8.96 -0.98 0
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400998 135049720 1 FeC18H18 AB18C18 254.38 2.63 -7.58 0.68 0
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400999 135049721 1 ON4C6H8 AB4C6D8 52.82 5.83 -9.99 -0.85 0
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401000 135049722 1 AlNPSi2Cl4C13H35 ABCD2E4F13G35 -423.4 16.7 -9.76 -0.59 0
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401001 135049726 1 ON2H6C10 AB2C6D10 59.41 4.47 -9.11 -1.19 0
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401002 135049728 1 CoC13H15 AB13C15 91.32 23.63 -10.9 -5.48 0
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401004 135049737 1 O2S4H15C24 A2B4C15D24 57.42 4.66 0.0 0.0 0
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401005 135049745 1 ClNO2H14C17 ABC2D14E17 -6.14 5.94 -9.09 -1.12 0
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401006 135049763 4 O3C14H18 A3B14C18 13.19 15.15 -5.32 -4.22 0
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401007 135049767 1 NSeO3H23C29 ABC3D23E29 -29.9 1.45 -8.36 -0.99 0
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401008 135049775 1 Si2O3C21H40 A2B3C21D40 -212.57 5.66 -8.68 -0.57 0
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401009 135049777 1 SO3C10H10 AB3C10D10 -88.13 3.44 -9.23 -0.83 0
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401010 135049778 1 NOCl2H11C16 ABC2D11E16 28.87 6.96 -9.8 -1.17 0
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401011 135049779 1 OPCl2Si2C14H23 ABC2D2E14F23 -165.84 4.74 -7.44 -1.75 0
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401012 135049780 1 NP2C31H55 AB2C31D55 -12.61 5.19 -7.4 -0.44 0
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401014 135049783 1 N3C20H29 A3B20C29 79.96 3.64 -8.91 0.15 0
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401015 135049784 3 NC7H11 AB7C11 48.88 3.55 -9.24 0.24 0
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401016 135049787 1 NSiF3O6C15H26 ABC3D6E15F26 -503.6 4.99 -10.1 0.09 0
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401017 135049788 2 OC10H12 AB10C12 -34.64 1.97 -9.05 0.27 0
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401018 135049790 1 NPO4C17H30 ABC4D17E30 -235.09 4.42 -9.22 0.6 0
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401020 135049795 2 NO3C7H8 AB3C7D8 -125.88 6.59 -9.38 -1.55 0
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401021 135049797 1 BrNS2F3O5H11C14 ABC2D3E5F11G14 -303.36 5.79 -9.21 -1.73 0
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401022 135049798 2 S3C8H14 A3B8C14 38.84 4.47 -7.84 -0.84 0
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401023 135049805 1 PN2C33H51 AB2C33D51 19.16 0.36 -8.04 -0.66 0
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401024 135049808 1 BrO3C18H21 AB3C18D21 -89.44 2.03 -8.76 -0.39 0
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401025 135049809 1 PSSiF3N3O3C36H59 ABCD3E3F3G36H59 -341.8 20.07 -9.1 -0.48 0
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401026 135049811 1 SO3C19H22 AB3C19D22 -76.48 5.55 -9.09 -0.25 0
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401027 135049815 2 PO4C8H13 AB4C8D13 -464.87 1.37 -9.53 -0.2 0