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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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50197 12012708 1 NOSH13C15 ABCD13E15 56.69 1.46 -8.9 -0.49 0
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50200 12012711 1 PBr2O2H21C22 AB2C2D21E22 -25.89 5.19 -8.94 -0.6 0
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50201 12012712 1 IPO2C24H26 ABC2D24E26 -54.62 5.52 -7.99 -0.36 0
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50202 12012713 1 CaCl2K2O2H12C20 AB2C2D2E12F20 -247.39 11.69 -7.15 0.21 0
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50203 12012714 1 O5C24H28 A5B24C28 -195.04 4.93 -9.5 -0.49 0
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50204 12012715 1 SeO2C12H16 AB2C12D16 -83.98 3.14 -8.72 -0.56 0
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50205 12012716 1 SeO2C24H24 AB2C24D24 -31.59 2.7 -8.66 -0.65 0
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50206 12012717 2 OSeC10H12 ABC10D12 -45.49 0.45 -8.5 -0.65 0
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50207 12012718 1 O2Se2C19H22 A2B2C19D22 -52.66 1.38 -8.53 -0.7 0
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50209 12012720 2 OSeC11H13 ABC11D13 -52.81 2.81 -8.55 -0.81 0
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50210 12012721 1 SeO2C16H20 AB2C16D20 -46.08 2.64 -8.69 -0.64 0
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50211 12012722 1 SeO2C14H18 AB2C14D18 -65.03 2.9 -8.64 -0.55 0
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50212 12012723 1 SeO2C15H20 AB2C15D20 -69.2 2.91 -8.78 -0.63 0
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50213 12012724 1 SeO2C16H22 AB2C16D22 -73.33 0.85 -8.54 -0.42 0
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50214 12012725 1 SeO2C17H24 AB2C17D24 -78.12 2.48 -8.51 -0.39 0
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50215 12012726 1 SeO2C16H22 AB2C16D22 -73.31 1.43 -8.57 -0.4 0
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50216 12012727 1 SeO2C19H20 AB2C19D20 -31.73 1.49 -8.6 -0.68 0
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50217 12012728 1 SeO2C14H18 AB2C14D18 -71.33 1.31 -8.65 -0.59 0
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50218 12012729 1 SeO2C15H20 AB2C15D20 -73.86 3.07 -8.73 -0.64 0
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50219 12012730 1 SeO2C18H26 AB2C18D26 -87.77 2.52 -8.49 -0.4 0
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50221 12012732 1 SeO3C12H14 AB3C12D14 -65.5 3.6 -9.19 -0.71 0
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50222 12012733 1 SeO3C14H18 AB3C14D18 -75.12 3.94 -9.16 -0.59 0
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50223 12012734 1 SeO2C13H18 AB2C13D18 -88.02 2.39 -8.61 -0.56 0
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50224 12012735 1 SeO2C14H20 AB2C14D20 -93.84 1.44 -8.62 -0.54 0
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50225 12012736 1 ClSeO2C14H19 ABC2D14E19 -104.63 2.4 -8.82 -0.83 0
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50226 12012737 1 N3O3C13H13 A3B3C13D13 -61.39 2.91 -8.89 -0.54 0
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50227 12012739 3 NOH5C6 ABC5D6 -26.26 3.09 -8.89 -0.79 0
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50228 12012740 1 N3O6H17C21 A3B6C17D21 -157.76 3.81 -9.15 -1.04 0
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50229 12012741 1 N3O5H17C20 A3B5C17D20 -111.11 2.22 -8.9 -0.88 0
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50230 12012743 1 BrN3O6H16C21 AB3C6D16E21 -154.86 3.84 -9.28 -1.08 0
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50231 12012744 1 SN2O4H18C21 AB2C4D18E21 13.03 10.43 -10.0 -1.29 0
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50232 12012746 1 NSO2H21C23 ABC2D21E23 29.88 6.16 -9.2 -0.48 0
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50233 12012747 1 S2O3C21H30 A2B3C21D30 -131.56 7.53 -8.35 -0.59 0
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50234 12012748 1 SN2O2C23H26 AB2C2D23E26 -24.31 7.91 -8.47 -0.7 0
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50235 12012750 1 O2C6H11 A2B6C11 -80.79 3.1 0.0 0.0 0
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50236 12012751 4 OC3H5 AB3C5 -162.53 4.86 -8.07 0.72 0
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50237 12012752 1 BrO2C17H23 AB2C17D23 -96.88 3.89 -9.45 0.04 0
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50238 12012753 1 BrO2C17H23 AB2C17D23 -97.8 3.78 -9.4 -0.09 0
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50239 12012754 1 BrO2C12H21 AB2C12D21 -130.12 2.82 -9.92 -0.07 0
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50240 12012755 1 NO4C14H17 AB4C14D17 -155.72 3.14 -8.63 0.01 0
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50241 12012756 2 NO3C7H8 AB3C7D8 -154.8 11.36 -9.4 -1.15 0
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50242 12012757 1 N2O5C13H14 A2B5C13D14 -116.97 6.72 -9.17 -1.06 0
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50243 12012758 1 N2O4H12C13 A2B4C12D13 -67.34 5.8 -9.05 -1.32 0
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50244 12012759 1 BO3C14H21 AB3C14D21 -199.2 3.51 -8.35 0.49 0
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50245 12012760 1 BO4C15H21 AB4C15D21 -244.74 5.01 -9.43 -0.31 0
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50246 12012761 2 NTeO2H4C6 ABC2D4E6 32.72 1.48 -7.23 -1.48 0
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50247 12012762 2 NTeO2H4C6 ABC2D4E6 25.31 8.24 -7.96 -1.66 0
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50248 12012763 1 FN3O4H22C25 AB3C4D22E25 -97.53 4.6 -8.84 -0.78 0
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50249 12012765 2 NPO3C7H13 ABC3D7E13 -373.32 5.34 -9.75 -1.0 0
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50250 12012766 2 NPO3C8H15 ABC3D8E15 -379.78 5.74 -9.76 -1.01 0
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50251 12012767 1 PN2O3C20H21 AB2C3D20E21 -105.08 2.12 -9.31 -1.03 0
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50252 12012768 1 SF3O3N4H11C12 AB3C3D4E11F12 -171.77 12.87 -9.75 -1.25 0
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50253 12012769 1 SF3O3N4C7H9 AB3C3D4E7F9 -205.88 11.77 -9.92 -1.37 0
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50254 12012770 1 F3H3N4C6 A3B3C4D6 -59.33 4.52 -10.77 -1.95 0
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50255 12012771 1 F3H3N4C6 A3B3C4D6 -58.17 3.0 -10.79 -2.0 0
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50256 12012772 1 O2F3H3N4C7 A2B3C3D4E7 -135.5 5.37 -11.29 -2.45 0
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50257 12012773 1 H2F3C5N5 A2B3C5D5 -28.32 5.94 -11.21 -2.39 0
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50258 12012774 1 H2F3C5N5 A2B3C5D5 -27.39 6.27 -11.23 -2.4 0
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50259 12012775 1 N2O3C16H16 A2B3C16D16 -40.97 5.74 -8.93 -0.41 0
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50260 12012776 3 NOC5H5 ABC5D5 -30.46 5.33 -9.18 -0.68 0
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50261 12012777 1 N3O3C16H17 A3B3C16D17 -39.28 7.71 -9.08 -0.6 0
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50262 12012778 1 N3O4C16H19 A3B4C16D19 -140.97 5.88 -9.18 -0.19 0
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50263 12012779 1 NO6C13H15 AB6C13D15 -198.99 2.68 -10.41 -0.69 0
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50264 12012780 1 NO6C19H19 AB6C19D19 -174.49 3.12 -9.42 -0.7 0
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50265 12012781 1 NO6C16H21 AB6C16D21 -226.89 2.07 -10.18 -0.61 0
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50266 12012782 1 NO6C18H25 AB6C18D25 -242.92 4.35 -10.16 -0.49 0
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50267 12012783 1 BO2N3C24H36 AB2C3D24E36 -114.71 2.7 -9.22 0.0 0
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50268 12012784 1 BKF3N3C10H12 ABC3D3E10F12 -227.28 12.76 -8.28 0.02 0
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50269 12012785 1 O5C8H14 A5B8C14 -240.55 2.82 -10.6 0.5 0
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50270 12012786 1 O5C15H28 A5B15C28 -294.29 3.38 -10.44 0.7 2
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50272 12012788 1 O5C15H26 A5B15C26 -281.9 2.03 -10.38 0.27 0
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50273 12012789 1 AlClN2O2C30H36 ABC2D2E30F36 -58.46 5.76 -8.25 -0.64 0
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50274 12012790 1 Cl2O3C9H14 A2B3C9D14 -102.8 1.85 -10.2 0.39 0
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50275 12012791 1 Cl2O4C9H16 A2B4C9D16 -202.64 3.5 -9.93 0.02 0
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50276 12012792 1 OSN2Br4H14C17 ABC2D4E14F17 -6.63 3.5 -9.09 -2.58 1
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50277 12012793 1 BrOSN2H14C17 ABCD2E14F17 19.33 5.39 0.0 0.0 0
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50278 12012794 1 OSN2Br4H12C17 ABC2D4E12F17 29.04 4.24 -9.06 -2.74 1
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50279 12012795 1 BrOSN2H12C17 ABCD2E12F17 45.89 2.71 0.0 0.0 0
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50280 12012796 1 OSN2I6H14C17 ABC2D6E14F17 57.66 8.33 -8.63 -2.94 1
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50281 12012797 1 IOSN2H14C17 ABCD2E14F17 66.09 7.12 0.0 0.0 0
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50282 12012798 1 OSN2Br4C12H12 ABC2D4E12F12 -64.75 5.15 -9.45 -1.88 1
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50283 12012799 1 BrOSN2C12H12 ABCD2E12F12 -11.3 3.76 0.0 0.0 0
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50284 12012800 1 OSN2I6C12H12 ABC2D6E12F12 53.17 16.07 -6.96 -4.29 1
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50285 12012801 1 IOSN2C12H12 ABCD2E12F12 2.09 4.0 0.0 0.0 0
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50286 12012802 1 OSN2I4H12C17 ABC2D4E12F17 70.64 8.62 -8.04 -4.29 1
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50287 12012803 1 IOSN2H12C17 ABCD2E12F17 87.52 9.36 0.0 0.0 0
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50288 12012804 1 OSN2Br4H10C12 ABC2D4E10F12 -14.54 14.75 -8.81 -2.17 1
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50289 12012805 1 BrOSN2H10C12 ABCD2E10F12 12.13 2.97 0.0 0.0 0
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50291 12012807 1 IOSN2H10C12 ABCD2E10F12 25.0 2.94 0.0 0.0 0
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50292 12012808 1 OSN2Br4H18C23 ABC2D4E18F23 76.83 11.99 -7.87 -3.26 1
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50293 12012809 1 BrOSN2H18C23 ABCD2E18F23 55.46 3.78 0.0 0.0 0
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50295 12012811 1 IOSN2H18C23 ABCD2E18F23 86.44 6.79 0.0 0.0 0
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50296 12012812 1 OSN2Br4H16C18 ABC2D4E16F18 -11.14 11.48 -8.62 -1.88 1
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50297 12012813 1 BrOSN2H16C18 ABCD2E16F18 22.08 3.87 0.0 0.0 0
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50298 12012814 1 OSN2I6H16C18 ABC2D6E16F18 1.61 11.19 -8.1 -2.99 1
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50299 12012815 1 IOSN2H16C18 ABCD2E16F18 52.78 6.57 0.0 0.0 2
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50300 12012817 1 Cl2H3C5N8 A2B3C5D8 212.52 4.38 0.0 0.0 2
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50301 12012818 1 ClH3C6N9 AB3C6D9 254.42 2.63 0.0 0.0 2
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50302 12012819 1 ClH3C6N9 AB3C6D9 254.83 6.12 0.0 0.0 3
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50303 12012820 1 ClH4C6N9 AB4C6D9 256.71 11.53 -8.34 -3.06 2