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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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166694 74723233 1 SN3O4C18H27 AB3C4D18E27 -134.42 18.97 -6.3 -0.91 -1
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166695 74723234 1 SN2O6C22H25 AB2C6D22E25 -199.98 6.0 0.0 0.0 -1
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166696 74723235 1 ClN3O4H15C20 AB3C4D15E20 -60.04 6.41 0.0 0.0 -1
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166697 74723236 1 N3O6H20C23 A3B6C20D23 -76.61 17.59 0.0 0.0 1
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166698 74723237 1 OSN3C18H26 ABC3D18E26 12.86 13.22 0.0 0.0 -1
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166699 74723238 1 NCl2S2O3H8C17 AB2C2D3E8F17 12.82 3.62 0.0 0.0 -1
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166700 74723239 1 N3O6H20C22 A3B6C20D22 -114.48 11.52 0.0 0.0 -1
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166701 74723240 1 SCl2N2O3H13C19 AB2C2D3E13F19 4.71 16.59 0.0 0.0 -1
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166702 74723351 1 N4O6C27H29 A4B6C27D29 -140.92 8.97 0.0 0.0 -1
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166703 74723468 1 N2S2O6H17C22 A2B2C6D17E22 -140.51 3.61 0.0 0.0 -1
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166704 74723469 1 NS2O5H14C18 AB2C5D14E18 -92.38 8.16 0.0 0.0 1
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166705 74723771 1 O3N4H21C23 A3B4C21D23 50.35 35.64 0.0 0.0 1
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166706 74723772 1 O3N6C23H25 A3B6C23D25 77.55 6.35 0.0 0.0 -1
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166707 74723946 1 ClN3F4O5H13C19 AB3C4D5E13F19 -286.91 6.55 0.0 0.0 -1
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166708 74723947 1 BrN2O5H16C24 AB2C5D16E24 -61.89 6.39 0.0 0.0 0
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166709 74723948 1 OCl2N5H17C24 AB2C5D17E24 106.44 4.21 -8.97 -1.16 -1
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166710 74723949 1 OCl2N5H14C19 AB2C5D14E19 86.09 1.67 0.0 0.0 1
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166711 74724230 1 O2S2N5C24H24 A2B2C5D24E24 65.46 7.62 0.0 0.0 0
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166712 74724231 1 ClN3O4C28H28 AB3C4D28E28 -90.01 6.11 -8.87 -0.94 1
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166713 74724308 1 N2O7C24H27 A2B7C24D27 -186.56 3.44 0.0 0.0 1
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166714 74724316 1 N3O3C31H34 A3B3C31D34 2.06 13.34 0.0 0.0 -1
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166715 74724579 1 ClOSN4H14C21 ABCD4E14F21 156.05 6.0 0.0 0.0 1
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166716 74724580 1 N2O4H21C29 A2B4C21D29 -8.42 4.15 0.0 0.0 1
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166717 74724581 1 SO5N6C21H25 AB5C6D21E25 -60.56 9.4 0.0 0.0 0
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166718 74724582 1 ON5C21H23 AB5C21D23 31.52 2.92 -9.17 -0.13 -1
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166719 74724583 1 SN3O6H16C21 AB3C6D16E21 1.5 6.14 0.0 0.0 1
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166720 74724584 1 Cl2N3O4H20C23 A2B3C4D20E23 -85.45 2.03 0.0 0.0 1
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166721 74724585 1 SN4O5H21C22 AB4C5D21E22 -57.39 6.83 0.0 0.0 1
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166722 74724586 1 F2O2N3C24H28 A2B2C3D24E28 -86.87 15.41 0.0 0.0 -1
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166723 74724725 1 SN4O6C23H25 AB4C6D23E25 -74.5 8.66 0.0 0.0 1
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166724 74724892 1 SO3N5C26H34 AB3C5D26E34 -52.58 7.51 0.0 0.0 1
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166725 74724996 1 NO3C23H28 AB3C23D28 -61.96 14.28 0.0 0.0 -1
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166726 74725443 1 N3O5C26H30 A3B5C26D30 -104.16 7.65 0.0 0.0 -1
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166727 74726005 1 SN2O7H17C21 AB2C7D17E21 -147.69 6.16 0.0 0.0 -1
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166728 74726006 1 FSN2O5H16C24 ABC2D5E16F24 -83.24 9.36 0.0 0.0 -1
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166729 74726007 1 N2O7C25H25 A2B7C25D25 -168.05 4.67 0.0 0.0 -1
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166730 74726039 1 BrN2O4H18C24 AB2C4D18E24 -18.68 5.97 0.0 0.0 -1
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166731 74726040 1 Cl2N2O4H19C25 A2B2C4D19E25 -47.9 5.19 0.0 0.0 -1
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166732 74726682 1 N2O7H25C27 A2B7C25D27 -140.86 3.62 0.0 0.0 -1
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166733 74726892 1 SN2O5H23C25 AB2C5D23E25 -75.31 10.57 0.0 0.0 -1
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166734 74727359 1 N2O6H25C27 A2B6C25D27 -114.76 10.14 0.0 0.0 -1
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166735 74727360 1 ClN2O4H22C26 AB2C4D22E26 -42.98 2.25 0.0 0.0 1
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166736 74727462 1 BrNO4C25H31 ABC4D25E31 -105.14 12.09 0.0 0.0 1
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166737 74727463 1 ClN2O4C23H26 AB2C4D23E26 -91.54 3.51 0.0 0.0 1
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166738 74727464 1 N4O4C25H31 A4B4C25D31 -83.45 4.5 0.0 0.0 1
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166739 74727465 1 N2O2C16H25 A2B2C16D25 -72.49 5.17 0.0 0.0 1
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166740 74727466 1 OSN6C14H23 ABC6D14E23 34.26 4.96 0.0 0.0 -1
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166741 74727721 1 OSN5H10C12 ABC5D10E12 143.39 6.83 0.0 0.0 -1
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166742 74727722 1 N2O5H9C13 A2B5C9D13 -84.13 12.06 0.0 0.0 -1
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166743 74727915 1 ClN2O4H20C25 AB2C4D20E25 -44.65 6.9 0.0 0.0 1
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166744 74728024 1 N2O6C27H35 A2B6C27D35 -181.21 7.71 0.0 0.0 1
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166745 74728174 1 S2N3O4C24H26 A2B3C4D24E26 -57.44 4.5 0.0 0.0 1
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166746 74728175 1 S2N3O4C25H28 A2B3C4D25E28 -60.7 4.15 0.0 0.0 1
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166747 74728409 1 SO3N6C23H25 AB3C6D23E25 32.07 15.86 0.0 0.0 1
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166748 74728410 1 Cl2O3N5C18H22 A2B3C5D18E22 -87.53 2.79 0.0 0.0 1
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166749 74728655 1 ClFO2N3C24H28 ABC2D3E24F28 -80.16 5.65 0.0 0.0 -1
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166750 74728656 1 BrN3O4C23H27 AB3C4D23E27 -98.13 9.58 0.0 0.0 1
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166751 74728657 1 FO2N4C22H22 AB2C4D22E22 -2.76 16.1 0.0 0.0 1
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166752 74728658 1 FSO2N4C22H24 ABC2D4E22F24 -33.64 11.71 0.0 0.0 1
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166753 74728680 1 N5O5C23H28 A5B5C23D28 -102.75 8.04 0.0 0.0 0
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166754 74728917 1 ClFOSN2H14C18 ABCDE2F14G18 -19.3 1.47 -8.82 -1.04 1
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166755 74729532 1 ClOSN4C18H24 ABCD4E18F24 20.59 21.91 0.0 0.0 -1
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166756 74730100 1 Cl2N2O5C25H25 A2B2C5D25E25 -118.43 9.02 0.0 0.0 1
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166757 74730810 1 ClN3O3H23C24 AB3C3D23E24 -79.19 6.17 0.0 0.0 1
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166758 74731107 1 BrSO2N4C19H20 ABC2D4E19F20 22.24 5.09 0.0 0.0 1
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166759 74731108 1 ION2C20H22 ABC2D20E22 77.91 14.3 0.0 0.0 -1
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166760 74731109 1 ClN3O3H19C21 AB3C3D19E21 -49.18 18.1 0.0 0.0 1
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166761 74731110 1 N2O4C28H31 A2B4C28D31 -56.79 6.51 0.0 0.0 -1
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166762 74731175 1 FNO4C13H13 ABC4D13E13 -170.4 4.72 0.0 0.0 -1
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166763 74731176 1 ClNO4C13H13 ABC4D13E13 -130.7 2.57 0.0 0.0 0
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166764 74731245 1 N3O5C25H29 A3B5C25D29 -170.4 4.81 -9.07 -0.21 0
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166765 74731246 1 ClN3O5C26H30 AB3C5D26E30 -173.08 6.74 -8.98 -0.42 1
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166766 74731311 1 N2O4C23H25 A2B4C23D25 -85.88 9.38 0.0 0.0 1
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166767 74731816 1 ClN2O6C26H30 AB2C6D26E30 -169.36 5.35 0.0 0.0 -1
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166768 74731817 1 SN2O5H21C27 AB2C5D21E27 -45.08 5.17 0.0 0.0 -1
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166769 74732166 1 N3O7H16C24 A3B7C16D24 6.58 4.52 0.0 0.0 -1
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166770 74732167 1 ClN2O5H14C23 AB2C5D14E23 2.71 0.82 0.0 0.0 0
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166771 74732208 1 S2N4O5H18C22 A2B4C5D18E22 13.88 8.32 -8.69 -2.13 -1
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166772 74732291 1 FN2O5C26H28 AB2C5D26E28 -149.31 11.43 0.0 0.0 0
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166773 74732464 1 N2O7C24H30 A2B7C24D30 -273.1 3.79 -9.57 -0.8 -1
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166774 74732469 1 NO4C13H18 AB4C13D18 -128.87 5.09 0.0 0.0 -1
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166775 74732470 1 NSO7H20C22 ABC7D20E22 -156.12 4.01 0.0 0.0 0
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166776 74732930 1 O2N4H20C21 A2B4C20D21 38.5 5.93 -9.31 -0.64 0
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166777 74732931 1 ClSO3N4H21C23 ABC3D4E21F23 -5.46 6.98 -8.5 -0.88 1
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166778 74732932 1 N3O4C27H28 A3B4C27D28 -74.04 3.49 0.0 0.0 -1
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166779 74732933 1 N3O6H14C19 A3B6C14D19 -44.34 13.09 0.0 0.0 1
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166780 74732934 1 N4O4H21C24 A4B4C21D24 31.72 7.4 0.0 0.0 1
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166781 74733494 1 Cl2O2N7C19H24 A2B2C7D19E24 -5.59 5.19 0.0 0.0 2
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166782 74733495 1 ClO2N5C29H30 AB2C5D29E30 41.7 10.8 -6.72 -0.72 1
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166783 74733496 1 ClO2N5C29H29 AB2C5D29E29 27.25 2.39 0.0 0.0 -1
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166784 74733497 1 N2O3H21C26 A2B3C21D26 20.6 17.68 0.0 0.0 1
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166785 74733684 1 FSO2N4C25H30 ABC2D4E25F30 -47.47 4.15 0.0 0.0 1
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166786 74733802 1 FN2O5C27H30 AB2C5D27E30 -151.21 7.54 0.0 0.0 0
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166787 74733803 1 FS2N3O5H12C20 AB2C3D5E12F20 -107.03 8.87 -8.67 -1.7 1
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166788 74734010 3 NOC7H8 ABC7D8 -22.07 4.38 0.0 0.0 2
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166789 74734011 1 O2N4C21H24 A2B4C21D24 22.25 13.7 -6.1 -0.65 0
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166790 74734066 1 N3O4C27H27 A3B4C27D27 -74.82 10.69 -8.74 -1.05 1
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166791 74734170 1 ON2C20H31 AB2C20D31 -29.15 5.23 0.0 0.0 0
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166792 74734635 1 O3N5C31H35 A3B5C31D35 -53.82 5.32 -9.29 -1.14 1
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166793 74734707 1 N3O3C21H28 A3B3C21D28 -14.14 19.62 0.0 0.0 1