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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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382738 134974063 1 NO2C31H33 AB2C31D33 4.6 3.89 -8.74 0.12 0
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382739 134974064 1 NOC29H37 ABC29D37 -14.34 3.25 -8.74 0.03 0
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382741 134974066 1 NO4H17C18 AB4C17D18 -102.1 3.96 -8.98 -0.61 0
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382742 134974068 1 NO2H15C16 AB2C15D16 -16.44 5.49 -8.83 -0.19 0
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382743 134974069 1 SiO2C16H30 AB2C16D30 -174.64 1.05 -8.74 1.17 0
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382744 134974070 1 O2C9H18 A2B9C18 -123.49 2.03 -9.63 0.46 0
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382745 134974071 1 NO3C6H13 AB3C6D13 -148.81 4.27 -9.62 2.03 0
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382746 134974072 1 NO3C6H13 AB3C6D13 -148.88 3.81 -9.63 1.98 0
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382747 134974073 1 O3C11H12 A3B11C12 -74.63 3.37 -9.62 -1.67 0
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382749 134974075 1 O2N3C11H20 A2B3C11D20 -68.36 5.08 0.0 0.0 0
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382750 134974076 1 NO3C17H23 AB3C17D23 -66.85 3.59 -9.69 -0.08 0
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382751 134974077 1 SN2O2F9C13H15 AB2C2D9E13F15 -515.69 7.13 -8.63 -1.01 -1
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382752 134974078 1 BC9O9H10 AB9C9D10 -417.22 6.48 0.0 0.0 0
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382753 134974079 1 NO4C15H25 AB4C15D25 -208.68 2.48 -9.46 0.51 0
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382754 134974080 1 NO4H13C16 AB4C13D16 -25.03 2.62 -9.68 -1.26 0
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382755 134974081 1 SO2H18C22 AB2C18D22 11.54 2.89 -7.92 -0.48 0
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382756 134974082 1 Si2O3C24H52 A2B3C24D52 -309.63 1.95 -8.78 1.03 0
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382757 134974087 2 O5F6H8C12 A5B6C8D12 -970.04 1.35 -9.92 -2.41 0
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382758 134974089 1 BrO5F6H9C12 AB5C6D9E12 -487.96 6.62 -10.89 -1.86 0
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382759 134974090 1 S2H12C17 A2B12C17 75.38 0.91 -8.6 -0.72 0
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382760 134974091 1 SO2N3C19H21 AB2C3D19E21 -52.88 2.9 -8.44 -0.68 0
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382761 134974092 1 BrOSiC16H29 ABCD16E29 -131.12 2.42 -8.73 -0.07 0
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382762 134974093 1 SiO2C17H32 AB2C17D32 -178.43 1.27 -8.81 1.19 0
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382763 134974094 1 NSO2C7H13 ABC2D7E13 -83.8 6.46 -9.53 0.13 0
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382764 134974095 1 NOC26H33 ABC26D33 61.99 2.09 -9.02 0.21 0
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382765 134974096 1 SSiN3O7C28H45 ABC3D7E28F45 -366.22 4.98 -9.14 -0.06 0
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382766 134974097 1 SSiN6O9C36H50 ABC6D9E36F50 -370.08 4.51 -8.92 -0.47 0
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382767 134974098 1 NO2C19H25 AB2C19D25 -56.08 4.39 -8.25 0.09 0
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382768 134974099 1 NO2C6H9 AB2C6D9 -47.87 2.53 -9.93 -0.36 0
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382769 134974102 1 N3O5C13H21 A3B5C13D21 -161.08 5.28 -9.42 -0.14 0
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382770 134974103 1 BrN2O2C22H31 AB2C2D22E31 -81.17 5.17 -8.49 -0.09 -1
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382771 134974105 1 NC25H30 AB25C30 46.13 2.37 0.0 0.0 0
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382772 134974106 1 NC25H31 AB25C31 22.07 1.64 -8.13 0.19 0
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382773 134974108 4 OC5H8 AB5C8 -198.89 2.11 -8.69 0.26 1
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382774 134974109 1 N2O3C30H41 A2B3C30D41 -94.6 4.68 0.0 0.0 0
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382775 134974113 1 Si2O3C22H48 A2B3C22D48 -300.08 2.91 -8.62 1.11 0
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382776 134974114 1 O4C9H12 A4B9C12 -173.6 5.13 -10.4 0.12 0
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382777 134974115 1 NC12H15 AB12C15 18.37 2.53 -9.18 0.34 1
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382778 134974117 1 OC7H11 AB7C11 -34.74 3.64 0.0 0.0 0
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382779 134974118 1 O5C14H24 A5B14C24 -261.6 2.06 -10.16 1.39 0
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382780 134974120 1 NSiO8C22H31 ABC8D22E31 -397.26 9.91 -9.65 -0.4 0
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382781 134974122 1 O2C19H22 A2B19C22 -63.89 1.71 -9.34 0.36 0
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382782 134974127 1 NO5C20H29 AB5C20D29 -219.07 3.18 -8.98 0.14 0
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382783 134974128 2 OC10H11 AB10C11 -21.1 2.68 -8.9 -0.52 -1
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382784 134974131 1 O2N4H23C27 A2B4C23D27 74.08 3.92 0.0 0.0 0
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382787 134974137 1 NOC19H35 ABC19D35 -63.13 0.63 -8.6 1.75 0
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382788 134974138 1 BrSi2O4C23H41 AB2C4D23E41 -302.55 2.51 -8.76 -0.44 0
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382789 134974139 1 C19H26 A19B26 55.84 1.48 -8.22 0.24 0
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382790 134974140 2 O6C15H31 A6B15C31 -684.0 5.44 -9.61 2.16 0
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382791 134974141 1 N2C19H22 A2B19C22 81.61 2.72 -8.32 0.44 0
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382792 134974142 1 BrSiO3C34H47 ABC3D34E47 -153.76 0.91 -8.97 -0.58 0
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382793 134974143 1 BrO4C20H31 AB4C20D31 -195.72 3.23 -9.06 -0.54 0
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382794 134974144 1 O5C9H18 A5B9C18 -212.53 5.7 -9.76 1.09 0
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382795 134974145 1 SF3O7C10H17 AB3C7D10E17 -438.42 5.38 -9.86 -1.31 0
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382796 134974146 1 OC13H18 AB13C18 -33.55 1.35 -9.35 0.39 0
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382797 134974147 3 NOC8H9 ABC8D9 -83.06 4.34 -8.4 0.04 0
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382798 134974154 1 ON2C20H24 AB2C20D24 14.76 3.15 -8.85 0.14 0
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382799 134974156 1 NO4H13C15 AB4C13D15 -60.61 9.18 -8.47 -1.98 1
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382800 134974157 1 NO4H14C15 AB4C14D15 -74.44 1.97 0.0 0.0 1
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382801 134974158 1 NO4H14C15 AB4C14D15 -99.5 2.63 0.0 0.0 0
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382802 134974161 1 N3O5C14H17 A3B5C14D17 -111.42 1.45 -9.14 -0.02 0
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382803 134974162 1 NOSC13H17 ABCD13E17 1.74 5.4 -7.93 -0.59 0
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382804 134974163 1 BNSiO4C21H34 ABCD4E21F34 -112.88 5.08 -7.78 0.25 0
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382805 134974166 1 O3H16C20 A3B16C20 -63.58 0.39 -8.54 -0.78 1
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382806 134974167 1 N2O3C28H37 A2B3C28D37 -76.73 4.19 0.0 0.0 1
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382807 134974169 1 SiN2O3C44H55 AB2C3D44E55 -83.12 4.93 0.0 0.0 0
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382808 134974170 1 Si2O3C25H54 A2B3C25D54 -314.77 1.92 -8.8 0.99 0
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382809 134974171 1 SiO4C20H42 AB4C20D42 -284.1 2.38 -8.6 1.21 0
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382810 134974173 1 N2S3O7C27H34 A2B3C7D27E34 -229.92 11.79 -8.87 -1.15 0
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382811 134974174 1 NO3C15H23 AB3C15D23 -84.78 0.64 -9.08 -0.26 1
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382812 134974175 1 BrOC2H6 ABC2D6 -38.86 0.71 0.0 0.0 0
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382813 134974176 2 C4H7 A4B7 -11.71 0.36 -9.38 1.51 0
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382814 134974177 1 BrSi2O3C23H41 AB2C3D23E41 -253.6 3.67 -8.69 -0.21 0
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382818 134974183 1 SCl2N2O4H14C15 AB2C2D4E14F15 -55.23 2.63 -9.92 -1.2 0
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382819 134974185 1 NSO2C13H19 ABC2D13E19 -54.9 5.9 -8.79 -0.47 0
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382820 134974187 1 SiO4H26C28 AB4C26D28 -114.34 0.32 -9.36 -1.54 0
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382821 134974188 1 O4H20C23 A4B20C23 36.36 3.01 -8.64 -1.71 0
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382822 134974189 1 SiO4H26C28 AB4C26D28 -115.09 1.35 -9.34 -1.62 0
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382823 134974192 1 SnN2O2C29H32 AB2C2D29E32 13.86 2.86 -8.98 -0.95 0
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382824 134974193 1 SSnN3O4C31H37 ABC3D4E31F37 -84.25 4.06 -9.14 -1.07 0
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382826 134974199 1 F3H15C20 A3B15C20 -101.8 3.74 -9.55 -0.58 0
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382827 134974200 1 FNH18C22 ABC18D22 25.3 3.81 -8.89 -0.85 0
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382828 134974202 1 ZnC6H10 AB6C10 36.78 1.05 -9.58 -0.02 0
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382829 134974204 1 NC11H13 AB11C13 48.01 3.04 -9.4 -0.54 0
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382831 134974206 1 OF3C7H11 AB3C7D11 -218.06 2.25 -10.44 0.94 1
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382832 134974207 1 O2N3C17H30 A2B3C17D30 -94.91 2.66 0.0 0.0 0
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382833 134974208 1 F3O5C18H19 A3B5C18D19 -306.68 3.84 -10.14 -0.53 0
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382834 134974210 1 SiO3C34H48 AB3C34D48 -154.5 2.19 -8.8 0.19 0
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382835 134974212 1 N3O5C43H43 A3B5C43D43 -16.64 3.24 -9.37 -0.5 0
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382836 134974213 1 SN2O4C19H28 AB2C4D19E28 -154.74 4.22 -8.85 -0.5 0
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382837 134974214 1 NSO3C19H23 ABC3D19E23 -94.61 3.96 -8.91 -0.61 0
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382838 134974215 1 OC20H24 AB20C24 -5.43 3.01 -9.11 -0.42 0
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382839 134974219 2 F3N3H4C6 A3B3C4D6 -183.12 3.88 -10.16 -2.06 0
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382840 134974221 2 F3N3H4C6 A3B3C4D6 -178.79 6.63 -9.95 -1.98 0
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382841 134974222 1 N2O5C18H24 A2B5C18D24 -219.42 4.45 -9.84 -0.32 0
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382842 134974224 1 SO7N8H32C35 AB7C8D32E35 -55.47 6.01 -9.33 -1.32 0
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382843 134974225 1 N4O8C21H24 A4B8C21D24 -241.76 5.62 -9.6 -1.04 0
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382844 134974226 1 NOSC11H15 ABCD11E15 2.35 5.28 -7.58 -0.5 0
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382845 134974233 1 OF2C7H10 AB2C7D10 -147.05 1.09 -10.06 0.73 0
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382846 134974234 3 OC6H8 AB6C8 -42.67 6.87 -6.99 -3.03 0