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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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132711 51405426 1 N2S2O3C21H25 A2B2C3D21E25 -78.02 4.86 0.0 0.0 0
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132712 51405811 1 O2F3N4C21H21 A2B3C4D21E21 -203.75 3.06 -9.18 -1.24 0
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132713 51405812 1 O3N4C21H24 A3B4C21D24 -83.18 1.52 -9.09 -1.09 0
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132714 51406361 1 N3O3C16H27 A3B3C16D27 -147.07 3.7 -9.19 0.95 0
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132715 51406362 1 N2O6C27H36 A2B6C27D36 -241.09 6.49 -7.96 -0.54 0
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132716 51406409 1 NO7C25H31 AB7C25D31 -287.93 5.94 -8.72 -0.73 0
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132717 51406410 1 NO7C25H31 AB7C25D31 -287.93 5.91 -8.62 -0.71 0
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132718 51406411 1 FNO5C27H32 ABC5D27E32 -257.46 4.33 -8.87 -0.58 0
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132719 51406412 1 FNO5C27H32 ABC5D27E32 -257.15 4.61 -8.88 -0.61 0
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132720 51406497 1 NO5C27H33 AB5C27D33 -218.26 5.16 -8.73 -0.57 0
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132721 51406823 1 NO7H27C28 AB7C27D28 -223.76 6.93 -8.43 -0.73 -1
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132722 51406929 1 NO8H14C19 AB8C14D19 -162.39 8.46 0.0 0.0 -1
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132723 51406930 1 O5C32H47 A5B32C47 -258.3 6.42 0.0 0.0 0
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132724 51407105 1 ClF2N3O3H24C25 AB2C3D3E24F25 -180.79 4.44 -8.73 -0.75 0
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132725 51407106 1 NO7C28H35 AB7C28D35 -283.0 4.6 -7.94 -0.55 0
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132726 51407327 1 NO4C17H25 AB4C17D25 -172.24 2.82 -9.26 0.0 -1
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132727 51407629 1 SN2O3C17H21 AB2C3D17E21 -57.85 5.14 0.0 0.0 0
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132728 51407951 1 NO2C15H19 AB2C15D19 -58.17 3.08 -9.46 0.29 -1
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132729 51408355 3 NOSH4C5 ABCD4E5 -22.91 4.16 0.0 0.0 0
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132730 51408507 1 N2O2C15H18 A2B2C15D18 -25.27 5.38 -9.04 -0.39 0
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132731 51408912 1 ON5H21C22 AB5C21D22 85.35 4.39 -8.82 -1.02 0
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132732 51409112 1 OS3N6C16H20 AB3C6D16E20 79.71 4.47 -8.61 -1.38 0
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132733 51409113 1 FO2N5C22H28 AB2C5D22E28 -97.7 7.32 -9.3 -1.23 -1
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132734 51409143 1 O3N4C21H23 A3B4C21D23 -29.91 7.15 0.0 0.0 -1
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132735 51409698 1 SN2O2H19C20 AB2C2D19E20 4.76 3.21 0.0 0.0 0
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132736 51409873 1 NO4C11H13 AB4C11D13 -127.48 12.08 -9.45 -0.9 -1
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132737 51409874 1 SN2O2Cl3H8C12 AB2C2D3E8F12 -23.99 6.13 0.0 0.0 -1
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132738 51410216 1 OF3N5H15C17 AB3C5D15E17 -75.87 9.94 0.0 0.0 1
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132739 51411182 1 N2S2O3C20H27 A2B2C3D20E27 -63.96 7.84 0.0 0.0 -1
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132740 51411266 1 O4C8H9 A4B8C9 -86.13 1.74 0.0 0.0 1
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132741 51411502 1 ON3H16C17 AB3C16D17 77.43 8.77 0.0 0.0 -1
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132742 51411835 1 ON2C14H15 AB2C14D15 43.84 2.41 0.0 0.0 1
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132743 51411836 1 S2N3O3C18H26 A2B3C3D18E26 -76.37 6.66 0.0 0.0 0
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132744 51411997 1 ClSO3N4C19H19 ABC3D4E19F19 -49.75 4.37 -8.85 -1.67 1
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132745 51411998 1 ClNO5H15C21 ABC5D15E21 -88.92 7.01 0.0 0.0 0
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132746 51412025 1 N2O3C15H18 A2B3C15D18 -81.19 6.3 -8.7 -0.2 -1
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132747 51412102 1 N2O4H17C20 A2B4C17D20 -50.97 11.61 0.0 0.0 1
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132748 51412272 1 NO2C18H32 AB2C18D32 -93.96 4.37 0.0 0.0 0
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132749 51412273 2 OC5H9 AB5C9 -79.75 2.28 -10.4 1.18 0
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132750 51412274 1 NOC10H17 ABC10D17 -17.18 1.49 -9.59 1.03 -1
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132751 51412353 1 ON4H17C18 AB4C17D18 95.31 2.52 0.0 0.0 0
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132752 51412616 1 BrON2C20H21 ABC2D20E21 33.92 5.03 -8.96 -0.75 0
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132753 51412868 1 O2C17H18 A2B17C18 -51.27 3.81 -9.37 -0.06 0
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132754 51413237 1 SN2O2H16C18 AB2C2D16E18 -0.9 5.96 -8.3 -0.97 1
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132755 51413454 1 FN3C25H25 AB3C25D25 36.35 1.39 0.0 0.0 0
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132756 51413537 1 SN3O4C21H23 AB3C4D21E23 -105.74 3.92 -8.73 -1.03 0
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132757 51413614 1 NO2C20H23 AB2C20D23 -62.29 3.57 -9.1 -0.11 0
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132758 51414155 1 Cl2N2O3C17H18 A2B2C3D17E18 -95.43 6.01 -8.46 -0.45 0
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132759 51414929 4 N2H4C5 A2B4C5 251.47 4.39 -8.96 -1.71 1
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132760 51414930 1 BrON3H13C18 ABC3D13E18 54.52 4.06 0.0 0.0 1
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132761 51415006 1 N2O2C14H19 A2B2C14D19 -34.25 2.67 0.0 0.0 -1
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132762 51415734 1 SN3O4C14H14 AB3C4D14E14 -86.54 1.34 0.0 0.0 1
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132763 51416287 1 NO5C25H40 AB5C25D40 -218.84 2.67 0.0 0.0 0
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132764 51416288 1 NO5C25H39 AB5C25D39 -224.16 1.86 -8.4 0.24 -1
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132765 51416506 1 ON6H15C19 AB6C15D19 145.54 7.99 0.0 0.0 -1
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132766 51416558 1 O2N4C12H13 A2B4C12D13 23.95 3.93 0.0 0.0 -1
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132767 51416559 1 ClN2O2H10C12 AB2C2D10E12 -6.61 2.5 0.0 0.0 0
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132768 51416680 1 ON2H26C27 AB2C26D27 46.9 2.38 -8.53 -0.43 -1
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132769 51416715 1 ClSO2H4C6 ABC2D4E6 -22.03 5.91 0.0 0.0 -1
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132770 51416984 1 SF3N3O3H13C15 AB3C3D3E13F15 -176.96 6.92 0.0 0.0 -1
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132771 51417953 1 N2O5C11H11 A2B5C11D11 -159.58 3.9 0.0 0.0 -1
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132772 51417954 1 ClN2O3C10H10 AB2C3D10E10 -104.96 2.4 0.0 0.0 0
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132773 51418551 1 O2N3C16H23 A2B3C16D23 -86.44 3.34 -8.94 -0.01 1
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132774 51418654 1 ClNO4C20H29 ABC4D20E29 -156.4 4.47 0.0 0.0 -2
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132775 51418773 1 N2O4H8C11 A2B4C8D11 -65.46 2.62 -9.2 -1.45 0
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132776 51419236 2 O3C13H15 A3B13C15 -221.85 1.94 -8.93 0.11 -1
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132777 51419351 1 ClS2N4O5H16C19 AB2C4D5E16F19 -94.09 8.05 0.0 0.0 0
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132778 51419502 1 OSN4C19H26 ABC4D19E26 -4.79 6.19 -8.99 -0.72 1
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132779 51419515 1 FSO2N4H16C18 ABC2D4E16F18 -28.7 4.05 0.0 0.0 0
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132780 51419594 1 NSO5C19H21 ABC5D19E21 -166.87 5.01 -8.82 -0.51 0
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132781 51420424 1 ON6C28H32 AB6C28D32 44.77 4.56 -8.37 -0.84 1
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132782 51420547 1 O2N6C24H33 A2B6C24D33 -11.99 4.03 0.0 0.0 0
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132783 51420548 2 ON3C12H16 AB3C12D16 -14.22 4.58 -8.98 -0.93 1
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132784 51420549 1 FON6C26H30 ABC6D26E30 17.99 7.08 0.0 0.0 0
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132785 51420614 1 OSN4C20H20 ABC4D20E20 51.58 9.26 -8.09 -0.61 0
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132786 51420871 1 SN2O8C13H18 AB2C8D13E18 -337.37 4.1 -9.94 -0.51 1
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132787 51421021 1 FSN3O3C27H29 ABC3D3E27F29 -77.06 1.86 0.0 0.0 0
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132788 51421035 1 ClON6C16H29 ABC6D16E29 -33.41 3.22 -9.1 0.62 -1
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132789 51421036 1 SCl2N2O3H9C15 AB2C2D3E9F15 -35.92 8.35 0.0 0.0 -1
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132790 51421639 1 NSO4H18C21 ABC4D18E21 -56.04 4.57 0.0 0.0 1
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132791 51421733 1 ClNO4C17H25 ABC4D17E25 -152.89 1.63 0.0 0.0 0
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132792 51421734 1 ClNO4C17H24 ABC4D17E24 -173.12 2.45 -8.91 -0.13 1
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132793 51421915 1 OSN2C14H23 ABC2D14E23 -35.49 5.42 0.0 0.0 1
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132794 51421916 1 SN2F3O3C15H24 AB2C3D3E15F24 -256.04 4.88 0.0 0.0 -1
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132795 51422267 1 NO4C16H26 AB4C16D26 -147.36 7.06 0.0 0.0 0
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132796 51422707 1 N2O3C10H18 A2B3C10D18 -136.79 6.03 -10.32 0.21 0
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132797 51422759 1 NO6C29H33 AB6C29D33 -203.55 7.47 -8.46 -0.59 0
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132798 51422760 1 NO5C31H35 AB5C31D35 -171.86 5.12 -8.51 -0.42 0
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132799 51422761 1 NO6C29H33 AB6C29D33 -200.84 8.86 -8.61 -0.49 1
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132800 51423000 1 NCl2O2C15H22 AB2C2D15E22 -75.3 4.01 0.0 0.0 0
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132801 51423171 1 NO2C16H25 AB2C16D25 -86.6 2.58 -8.9 0.22 -1
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132802 51423682 1 ClO2N3C17H21 AB2C3D17E21 -17.5 10.25 0.0 0.0 0
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132803 51423881 1 ClON3C13H20 ABC3D13E20 -41.0 3.03 -9.59 -0.32 0
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132804 51424127 1 SO2N3C23H25 AB2C3D23E25 -36.08 2.25 -9.35 -1.17 0
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132805 51424128 1 SO2N4H22C23 AB2C4D22E23 -7.11 4.39 -9.26 -1.06 0
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132806 51424129 1 SO2N3C23H31 AB2C3D23E31 -89.71 2.56 -9.12 -0.89 0
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132807 51424130 1 SO2N3C23H31 AB2C3D23E31 -86.48 5.01 -8.9 -0.77 0
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132808 51424258 1 N2O5C23H30 A2B5C23D30 -212.64 8.13 -9.64 -1.75 1
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132809 51424774 1 ClFO2N4C27H31 ABC2D4E27F31 -38.32 17.5 0.0 0.0 0
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132810 51425391 1 ClO2F3N4C10H10 AB2C3D4E10F10 -170.56 6.39 -9.75 -0.58 1