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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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165692 74584545 1 SN4O5H19C21 AB4C5D19E21 -11.55 16.2 0.0 0.0 0
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165693 74584546 1 SN4O5H20C21 AB4C5D20E21 -69.51 9.1 -9.29 -1.85 0
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165694 74584594 2 NO2C7H7 AB2C7D7 -107.99 5.3 -9.26 -1.25 1
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165695 74584885 1 N2O3C27H39 A2B3C27D39 -90.4 7.66 0.0 0.0 -1
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165696 74584886 1 N3O5C26H28 A3B5C26D28 -177.68 2.58 0.0 0.0 0
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165697 74584887 1 N4O4C23H24 A4B4C23D24 -78.02 9.79 -8.2 -0.61 0
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165698 74584888 1 N4O4C23H24 A4B4C23D24 -98.79 1.61 -8.37 -0.4 -1
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165699 74585167 1 SN3O3C18H20 AB3C3D18E20 -61.73 6.72 0.0 0.0 0
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165700 74585168 1 SN3O3C18H21 AB3C3D18E21 -83.91 6.66 -9.2 -1.07 -1
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165701 74585169 1 SO3N5C17H24 AB3C5D17E24 -37.83 9.24 0.0 0.0 0
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165702 74585170 1 SO3N5C17H25 AB3C5D17E25 -96.87 9.49 -9.03 -0.92 0
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165703 74585171 1 SN3O3C19H25 AB3C3D19E25 -104.31 7.38 -8.86 -0.67 -1
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165704 74585722 1 N2O4C21H21 A2B4C21D21 -88.72 2.34 0.0 0.0 0
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165705 74585723 3 NOC5H5 ABC5D5 -47.2 4.73 -8.95 -0.77 0
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165706 74585724 1 ClO2N3C21H22 AB2C3D21E22 -19.25 8.91 -8.98 -0.71 0
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165707 74585764 1 ClN3O3C28H28 AB3C3D28E28 -32.32 9.06 -8.8 -0.53 1
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165708 74585765 1 ClSN2O4C14H20 ABC2D4E14F20 -133.31 9.58 0.0 0.0 1
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165709 74585766 1 SN2O3C15H23 AB2C3D15E23 -107.99 4.56 0.0 0.0 0
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165710 74585908 1 ClN4O4C21H21 AB4C4D21E21 -77.84 5.82 -8.99 -0.8 0
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165711 74585909 1 BrO2N3H12C17 AB2C3D12E17 47.71 6.81 -9.31 -1.07 0
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165712 74586165 1 N3O4C23H25 A3B4C23D25 -97.15 9.02 -8.53 -0.41 0
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165713 74586166 1 ClN3O4C24H28 AB3C4D24E28 -126.42 2.81 -8.56 -0.08 -1
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165714 74586206 1 N2S2O3C11H15 A2B2C3D11E15 -97.02 3.23 0.0 0.0 0
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165715 74586229 1 ClOSN3C12H12 ABCD3E12F12 14.86 5.98 -9.31 -0.85 0
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165716 74586275 1 ClO2N4H17C19 AB2C4D17E19 -0.19 5.96 -9.26 -1.01 -1
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165717 74586381 1 FSN2O3H12C14 ABC2D3E12F14 -116.66 5.49 0.0 0.0 1
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165718 74586528 1 N2O5C20H27 A2B5C20D27 -176.45 7.96 0.0 0.0 0
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165719 74586667 2 ON2C13H13 AB2C13D13 24.45 9.65 -8.73 -0.7 0
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165720 74586774 1 FO2N5C19H26 AB2C5D19E26 -99.71 4.49 -8.96 -0.29 -1
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165721 74586809 1 SN2O3H15C19 AB2C3D15E19 -39.65 5.03 0.0 0.0 0
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165722 74586810 1 SN2O3H16C19 AB2C3D16E19 -45.39 7.34 -9.4 -1.13 1
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165723 74587006 1 F3O3N4C20H24 A3B3C4D20E24 -198.63 1.39 0.0 0.0 -1
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165724 74587118 1 ClSN2O3C16H16 ABC2D3E16F16 -84.16 3.44 0.0 0.0 0
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165725 74587513 2 N2O2C9H11 A2B2C9D11 -119.54 11.75 -8.75 -0.5 0
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165726 74587706 1 SN3O3C22H35 AB3C3D22E35 -134.96 4.9 -8.5 -0.8 1
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165727 74587814 1 FO3N4C26H36 AB3C4D26E36 -111.44 1.65 0.0 0.0 0
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165728 74587815 1 FO3N4C26H35 AB3C4D26E35 -133.93 5.76 -8.6 -0.99 1
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165729 74587816 1 N4O4C17H21 A4B4C17D21 -87.08 4.01 0.0 0.0 1
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165730 74587965 1 N2O3C20H29 A2B3C20D29 -65.72 3.58 0.0 0.0 1
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165731 74587966 1 FOSN3C23H27 ABCD3E23F27 0.24 2.76 0.0 0.0 1
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165732 74588141 1 O2N7C15H28 A2B7C15D28 -2.08 6.57 0.0 0.0 0
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165733 74588537 1 O2N4C21H26 A2B4C21D26 -31.77 5.38 -8.93 -0.26 1
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165734 74588985 1 SN3O4C19H22 AB3C4D19E22 -100.37 6.78 0.0 0.0 -1
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165735 74589218 1 O3N4C15H15 A3B4C15D15 5.06 8.17 0.0 0.0 0
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165736 74589219 1 O3N4C15H16 A3B4C15D16 -29.53 4.61 -9.34 -1.56 0
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165737 74589428 1 SN3O3C15H27 AB3C3D15E27 -133.08 3.29 -9.19 0.14 2
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165738 74589429 2 NOC12H16 ABC12D16 -16.91 15.61 -5.53 -1.27 0
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165739 74589490 1 ClN2O7H19C20 AB2C7D19E20 -162.39 6.66 -9.08 -1.51 1
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165740 74589491 1 FO3N4H18C20 AB3C4D18E20 -62.95 9.37 0.0 0.0 1
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165741 74590239 1 ON2C17H35 AB2C17D35 -65.91 3.37 0.0 0.0 1
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165742 74590240 1 O2N4C23H35 A2B4C23D35 -55.18 4.11 0.0 0.0 1
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165743 74590241 1 OF3N3C18H21 AB3C3D18E21 -119.94 7.58 0.0 0.0 1
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165744 74590749 1 ON3C20H32 AB3C20D32 -14.19 4.55 0.0 0.0 0
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165745 74591064 1 NO4C20H21 AB4C20D21 -104.74 4.72 -8.55 -0.51 0
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165746 74591065 1 FNO4H18C19 ABC4D18E19 -140.01 2.4 -8.73 -0.73 1
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165747 74591066 1 NOBr2C20H26 ABC2D20E26 2.94 9.76 0.0 0.0 0
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165748 74591067 1 BrOS2N3H12C15 ABC2D3E12F15 63.26 2.22 -8.86 -1.61 0
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165749 74591413 1 SO3N4C21H32 AB3C4D21E32 -134.96 5.18 -8.63 -0.13 0
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165750 74591555 1 N4O5C25H38 A4B5C25D38 -200.14 4.87 -8.44 -0.69 0
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165751 74592298 1 ON4C30H38 AB4C30D38 6.25 1.51 -8.75 -0.46 0
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165752 74592498 1 SO2N6C16H16 AB2C6D16E16 44.88 7.2 -9.11 -0.54 0
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165753 74592980 1 N5O5C18H25 A5B5C18D25 -131.0 1.81 -10.05 -1.54 0
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165754 74593003 1 N5O5C18H25 A5B5C18D25 -127.75 5.51 -9.72 -1.06 0
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165755 74593004 2 N2O2C10H15 A2B2C10D15 -171.23 6.77 -8.66 0.1 0
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165756 74593595 1 SO4N5C21H27 AB4C5D21E27 -143.96 3.51 -9.04 -0.81 1
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165757 74593637 1 OSN2C18H29 ABC2D18E29 -12.55 5.3 0.0 0.0 0
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165758 74593723 1 O2N4C17H18 A2B4C17D18 17.77 6.98 -9.2 -0.76 0
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165759 74593724 2 NOH10C11 ABC10D11 13.0 2.15 -9.08 -0.58 0
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165760 74593725 2 O3C10H10 A3B10C10 -190.37 5.77 -8.86 -0.64 0
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165761 74593908 1 OSN4H18C22 ABC4D18E22 86.51 5.66 -8.55 -1.09 0
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165762 74594074 1 ON2F3H13C16 AB2C3D13E16 -134.41 1.22 -10.02 -1.18 0
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165763 74594290 1 ClN2O4H21C23 AB2C4D21E23 -85.22 2.73 -8.99 -0.72 -1
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165764 74594528 1 NO2C11H12 AB2C11D12 -38.14 1.41 0.0 0.0 0
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165765 74594926 1 SN4O4C18H24 AB4C4D18E24 -133.24 6.17 -8.98 -1.26 0
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165766 74594945 1 SO4N5C23H35 AB4C5D23E35 -166.35 9.16 -9.08 -0.58 0
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165767 74595244 1 SO3N4C14H18 AB3C4D14E18 -39.66 1.69 -8.6 -0.68 0
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165768 74595245 1 FSO3N4C17H17 ABC3D4E17F17 -70.65 1.96 -9.09 -1.07 0
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165769 74595423 1 N2O7C24H28 A2B7C24D28 -217.75 7.81 -7.87 -0.95 1
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165770 74595778 1 S2O3N4C19H23 A2B3C4D19E23 -67.92 4.21 0.0 0.0 0
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165771 74596084 1 S2N3O3C17H21 A2B3C3D17E21 -84.47 6.55 -9.24 -0.55 0
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165772 74596732 1 S2O3N5C21H29 A2B3C5D21E29 -85.67 7.74 -9.36 -1.39 0
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165773 74596774 1 ClFO3N4C19H26 ABC3D4E19F26 -184.02 5.71 -9.75 -0.9 0
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165774 74596791 1 SN2O3C18H20 AB2C3D18E20 -98.55 3.94 -9.36 -0.97 0
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165775 74597260 1 SO3N4C23H24 AB3C4D23E24 -73.01 5.31 -8.89 -0.65 0
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165776 74597277 1 SN2O5C16H22 AB2C5D16E22 -192.52 4.5 -8.71 -0.08 1
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165777 74597309 1 O3N4C23H35 A3B4C23D35 -106.25 4.05 0.0 0.0 1
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165778 74597310 1 N2O2F3C19H22 A2B2C3D19E22 -180.19 3.18 0.0 0.0 1
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165779 74597311 1 OSCl2N2C16H19 ABC2D2E16F19 8.89 5.96 0.0 0.0 0
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165780 74597610 1 OSN3C19H23 ABC3D19E23 17.64 4.73 -9.01 -0.49 0
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165781 74598333 1 ClN2O4C23H25 AB2C4D23E25 -135.76 1.8 -9.32 -0.75 0
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165782 74598334 1 SO3N7C22H31 AB3C7D22E31 -63.27 6.08 -8.57 -0.7 0
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165783 74598375 1 NO4C21H25 AB4C21D25 -111.09 7.37 -8.59 -0.25 0
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165784 74598376 1 NO3C21H25 AB3C21D25 -76.27 4.12 -8.46 -0.11 0
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165785 74598377 1 NO3C14H19 AB3C14D19 -96.75 6.55 -8.91 -0.27 1
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165786 74598389 1 N3O3C14H18 A3B3C14D18 -94.53 5.34 0.0 0.0 0
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165787 74598450 1 SF2N5O5H17C21 AB2C5D5E17F21 -163.04 8.39 -9.33 -1.85 0
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165788 74598451 1 S2N3O3C18H27 A2B3C3D18E27 -102.32 7.82 -9.1 -1.59 0
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165789 74598483 1 N4O4H22C23 A4B4C22D23 -74.78 3.09 -8.38 -0.86 0
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165790 74598804 1 O3N5C25H31 A3B5C25D31 -64.01 3.52 -8.68 -0.01 0
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165791 74599185 1 SO2N3C26H35 AB2C3D26E35 -93.22 4.94 -8.48 0.18 1