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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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189718 77894609 1 NO3C13H15 AB3C13D15 -70.73 1.61 -9.6 -0.5 0
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189719 77894980 1 SF2N5O7C39H63 AB2C5D7E39F63 -460.05 10.05 -9.49 -0.47 0
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189720 77895594 1 BrSO5N7C24H28 ABC5D7E24F28 -118.19 5.93 -8.53 -0.98 0
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189721 77895641 1 BrPSN7O7C22H29 ABCD7E7F22G29 -304.64 7.42 -8.48 -1.22 0
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189722 77895725 1 SBr2O5N7C25H31 AB2C5D7E25F31 -129.15 2.33 -9.03 -1.06 0
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189723 77895726 1 BrClSO6N9C30H41 ABCD6E9F30G41 -214.67 4.9 -8.42 -0.85 0
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189724 77895727 1 BrSO6N9C30H40 ABC6D9E30F40 -182.32 3.91 -8.45 -1.26 0
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189725 77895980 1 F3N4O4C23H25 A3B4C4D23E25 -283.2 4.52 -9.58 -1.37 0
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189726 77896149 1 ClNOSC11H14 ABCDE11F14 -50.96 4.94 -9.69 -0.26 0
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189727 77896178 1 FNO4C11H18 ABC4D11E18 -257.98 7.02 -9.82 -0.04 1
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189728 77896319 1 FCl2O4N5C27H31 AB2C4D5E27F31 -140.63 4.76 0.0 0.0 0
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189729 77896320 1 FCl2O4N5C27H30 AB2C4D5E27F30 -157.47 8.19 -8.97 -0.66 0
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189730 77896477 1 ClO2N6C25H29 AB2C6D25E29 -29.3 2.14 -8.18 -0.32 0
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189731 77896478 1 ClN5O5C25H34 AB5C5D25E34 -194.75 1.1 -8.95 -0.4 0
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189732 77897496 1 ON4C20H28 AB4C20D28 -26.9 1.78 -8.2 -0.18 0
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189733 77897497 1 SO3N5H17C18 AB3C5D17E18 -9.8 4.05 -9.29 -1.94 0
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189734 77897634 1 O2N3C22H37 A2B3C22D37 -76.26 2.34 -7.78 0.64 0
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189735 77897635 1 N2O3C20H32 A2B3C20D32 -143.3 3.96 -8.69 -0.12 0
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189736 77897766 1 OSN5C19H25 ABC5D19E25 6.87 4.85 -8.84 -0.37 0
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189737 77897820 1 FN4O4C18H19 AB4C4D18E19 -161.66 4.96 -9.97 -0.92 0
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189738 77897943 2 ON2C10H10 AB2C10D10 0.8 2.45 -9.68 -0.84 0
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189739 77898365 2 ON2C11H17 AB2C11D17 -83.6 3.83 -8.56 0.04 0
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189740 77898366 2 NO2C9H14 AB2C9D14 -161.13 6.37 -8.79 0.04 0
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189741 77898544 1 N3O4C18H19 A3B4C18D19 -103.63 8.05 -9.22 -0.94 0
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189742 77899012 1 O2F3N4C16H21 A2B3C4D16E21 -208.96 2.4 -8.63 -0.42 0
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189743 77899013 1 O2N5C19H23 A2B5C19D23 -7.31 6.3 -8.96 -0.3 0
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189744 77899014 2 NOC8H10 ABC8D10 -41.61 4.25 -9.0 -0.5 0
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189745 77899015 1 O2N3C20H27 A2B3C20D27 -53.17 2.22 -8.84 0.09 0
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189746 77899016 1 SN2O5C19H26 AB2C5D19E26 -159.65 1.05 -9.12 -0.15 0
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189747 77899017 2 ON3C8H10 AB3C8D10 41.46 6.31 -9.11 -0.61 0
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189748 77899018 1 S2N3O4C15H19 A2B3C4D15E19 -111.33 12.14 -9.78 -1.3 0
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189749 77899323 1 ClO2N3C20H28 AB2C3D20E28 -90.23 8.24 -9.0 -0.1 0
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189750 77899691 1 O2N4C21H30 A2B4C21D30 -54.87 7.8 -8.94 -0.03 0
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189751 77899735 1 NO4C22H29 AB4C22D29 -157.81 6.13 -9.25 -0.62 0
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189752 77899736 1 O2N7C18H21 A2B7C18D21 36.73 10.38 -9.02 -0.64 0
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189753 77899774 1 FSN2O4C18H25 ABC2D4E18F25 -218.94 5.92 -9.49 -0.46 0
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189754 77900203 1 SO2N6C17H18 AB2C6D17E18 78.36 6.55 -8.88 -1.3 0
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189755 77900472 1 ON5C18H29 AB5C18D29 -13.98 4.21 -8.95 -0.05 0
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189756 77900473 1 SN2O4C18H28 AB2C4D18E28 -172.64 8.99 -8.85 0.13 0
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189757 77900797 1 O2N6C19H22 A2B6C19D22 19.18 8.06 -8.46 -0.16 0
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189758 77901394 1 O3N4C19H32 A3B4C19D32 -122.24 2.99 -8.88 0.82 0
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189759 77901740 1 O2N4C19H26 A2B4C19D26 -22.71 4.97 -8.43 -0.51 0
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189760 77901756 1 NO4C21H23 AB4C21D23 -136.63 0.58 -9.13 -0.3 0
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189761 77901757 1 O2N3C22H29 A2B3C22D29 -44.24 4.82 -8.74 -0.86 0
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189762 77901956 1 N2O2F3C15H19 A2B2C3D15E19 -232.2 8.96 -9.63 -0.75 0
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189763 77901974 1 SO2N3C20H21 AB2C3D20E21 1.43 3.42 -8.88 -0.65 0
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189764 77902082 1 FN2O3C19H21 AB2C3D19E21 -132.15 2.46 -9.21 -0.31 0
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189765 77902102 1 FN2O2C21H25 AB2C2D21E25 -94.58 4.48 -9.11 0.01 0
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189766 77902103 4 NOC4H5 ABC4D5 -107.24 3.37 -10.09 -1.53 0
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189767 77902104 2 ON2C9H12 AB2C9D12 13.58 1.44 -8.69 -0.72 0