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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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32712 7847262 1 ClNO5C21H22 ABC5D21E22 -175.06 8.52 -8.9 -0.91 0
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32713 7847270 1 ClFNO4H15C17 ABCD4E15F17 -170.52 2.58 -9.04 -0.42 0
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32714 7847273 1 ClNO4H20C23 ABC4D20E23 -98.14 6.36 -9.03 -0.37 0
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32715 7847296 1 ClNO4H18C19 ABC4D18E19 -120.41 5.06 -8.79 -0.36 0
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32716 7847297 1 ClNO4H18C19 ABC4D18E19 -120.06 3.38 -8.65 -0.4 0
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32717 7847312 1 ClNO4C21H22 ABC4D21E22 -137.62 3.39 -9.22 -0.38 0
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32718 7847315 1 ClN2O6C17H19 AB2C6D17E19 -239.49 3.3 -9.23 -0.75 0
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32719 7847322 1 ClNO4C18H18 ABC4D18E18 -133.48 4.67 -8.78 -0.69 0
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32720 7847327 1 BrClNO4H15C17 ABCD4E15F17 -120.63 3.45 -9.08 -0.43 0
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32721 7847329 1 ClNF2O4H12C16 ABC2D4E12F16 -204.66 4.97 -9.32 -0.71 0
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32722 7847350 1 ClNO4C17H22 ABC4D17E22 -170.05 0.84 -9.31 -0.41 0
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32723 7847351 1 ClNF3O4H13C17 ABC3D4E13F17 -275.86 3.16 -9.11 -0.9 1
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32724 7847367 1 NC10H14 AB10C14 53.1 5.43 0.0 0.0 1
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32725 7847372 1 FNO2C15H17 ABC2D15E17 -74.5 7.03 0.0 0.0 1
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32726 7847378 1 ClNC13H19 ABC13D19 9.06 6.9 0.0 0.0 0
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32727 7847397 1 NS2O3C22H29 AB2C3D22E29 -117.55 5.17 -8.44 0.07 0
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32728 7847418 1 N2S2O3C18H22 A2B2C3D18E22 -94.55 4.05 -8.88 -0.83 0
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32729 7847425 1 NSO2C20H25 ABC2D20E25 -62.53 5.39 -8.4 -0.38 0
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32730 7847432 1 N2S2O3C19H24 A2B2C3D19E24 -101.61 10.25 -9.35 -0.79 0
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32731 7847444 1 SN2O4C17H18 AB2C4D17E18 -138.57 8.39 -9.12 -1.25 0
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32732 7847455 1 NSCl2O3H15C16 ABC2D3E15F16 -113.69 6.35 -8.95 -1.2 0
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32733 7847498 1 SN2O4C19H22 AB2C4D19E22 -137.25 4.9 -9.0 -1.19 0
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32734 7847500 1 SN2O4C21H26 AB2C4D21E26 -156.74 6.51 -8.94 -0.96 0
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32735 7847544 1 BrN2O3C19H21 AB2C3D19E21 -81.1 5.49 -8.82 -0.06 0
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32736 7847547 1 SN2O6C17H24 AB2C6D17E24 -239.76 7.27 -9.87 -0.66 0
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32737 7847581 1 BrSN2O4C16H17 ABC2D4E16F17 -106.54 7.36 -9.53 -0.79 0
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32738 7847617 1 BrNO2H14C17 ABC2D14E17 -12.53 2.94 -8.76 -0.41 0
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32739 7847638 1 SN2O5C21H24 AB2C5D21E24 -179.34 8.23 -8.64 -0.69 0
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32740 7847673 1 BrClNO2H13C15 ABCD2E13F15 -40.73 1.4 -9.38 -0.41 0
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32741 7847709 1 ON3S3C17H21 AB3C3D17E21 40.18 4.89 -8.86 -1.27 0
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32742 7847744 1 BrClNO2H15C16 ABCD2E15F16 -46.51 2.88 -9.4 -0.45 0
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32743 7847760 1 OSCl2N3C16H17 ABC2D3E16F17 5.63 6.87 -9.19 -1.23 0
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32744 7847786 1 SCl2N2O2C12H14 AB2C2D2E12F14 -93.57 4.17 -9.36 -1.2 0
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32745 7847801 1 ClSN2O4H13C15 ABC2D4E13F15 -131.34 4.36 -9.4 -1.33 0
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32746 7847804 1 OSCl2N2C14H16 ABC2D2E14F16 -21.54 4.07 -9.31 -1.16 0
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32747 7847811 1 ClNSO2H10C14 ABCD2E10F14 -16.08 4.14 -9.51 -1.5 0
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32748 7847813 1 ClSN2O4C17H17 ABC2D4E17F17 -142.88 3.58 -9.65 -1.55 0
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32749 7847869 1 SCl2N2O4H14C16 AB2C2D4E14F16 -55.81 10.44 -9.12 -1.37 0
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32750 7847919 1 ClNO5C21H28 ABC5D21E28 -199.06 2.24 -8.57 -0.81 0
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32751 7847957 1 SN3O3C21H21 AB3C3D21E21 -47.74 2.69 -9.0 -1.44 0
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32752 7847979 1 ClNO4H20C21 ABC4D20E21 -86.83 5.31 -9.4 -1.09 0
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32753 7847984 1 NO4C21H25 AB4C21D25 -146.93 3.86 -8.76 -0.16 0
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32754 7848001 1 NO5C17H25 AB5C17D25 -237.86 2.37 -9.48 -0.36 0
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32755 7848011 1 N2O5C15H20 A2B5C15D20 -147.25 10.17 -9.48 -1.27 0
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32756 7848039 1 N2O4C15H20 A2B4C15D20 -146.93 2.47 -9.58 -0.59 0
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32757 7848055 1 ClNO5C20H26 ABC5D20E26 -200.98 5.66 -8.77 -1.07 0
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32758 7848076 1 N2S2O6C17H20 A2B2C6D17E20 -226.87 10.9 -9.65 -1.67 0
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32759 7848081 1 SN2O5C20H30 AB2C5D20E30 -227.63 5.99 -9.14 -0.43 0
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32760 7848100 1 NO3C17H21 AB3C17D21 -111.8 3.96 -9.02 -0.55 0
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32761 7848107 1 SN2O5H20C21 AB2C5D20E21 -150.94 4.66 -9.1 -1.46 0
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32762 7848109 1 N2S2O3H14C18 A2B2C3D14E18 -45.82 3.43 -8.83 -1.1 0
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32763 7848115 1 SN2O3C18H24 AB2C3D18E24 -124.44 3.58 -8.68 -0.75 0
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32764 7848117 1 SN2O3C18H24 AB2C3D18E24 -118.36 6.44 -9.0 -0.74 0
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32765 7848121 1 SN2O4C17H24 AB2C4D17E24 -192.47 6.38 -8.51 -0.57 0
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32766 7848124 1 SF2N2O4H14C18 AB2C2D4E14F18 -206.72 3.67 -9.15 -1.54 0
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32767 7848147 1 NO4C17H25 AB4C17D25 -178.51 4.38 -9.0 0.01 0
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32768 7848153 1 Cl2N2O3C14H18 A2B2C3D14E18 -138.41 3.93 -9.33 -0.9 0
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32769 7848155 1 Cl2N2O3C14H18 A2B2C3D14E18 -137.48 4.29 -9.17 -0.85 0
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32770 7848178 1 O5C16H18 A5B16C18 -200.62 6.45 -9.42 -1.18 0
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32771 7848181 1 SN3O5H17C20 AB3C5D17E20 -67.86 4.91 -9.01 -1.34 0
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32772 7848209 1 SN2O5C16H24 AB2C5D16E24 -228.71 6.08 -8.99 -0.62 0
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32773 7848212 1 SN2O4C17H22 AB2C4D17E22 -155.56 4.66 -9.49 -1.41 0
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32774 7848239 1 N2O5C15H20 A2B5C15D20 -146.94 1.43 -9.65 -1.53 0
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32775 7848251 1 N3O3C17H19 A3B3C17D19 -77.54 3.45 -9.52 -1.13 0
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32776 7848256 1 BrSN2O3C15H17 ABC2D3E15F17 -93.34 6.62 -9.46 -1.13 0
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32777 7848262 1 SN2O4C15H18 AB2C4D15E18 -147.17 5.98 -9.5 -1.46 0
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32778 7848263 1 N2O5C22H26 A2B5C22D26 -142.2 3.89 -8.71 -0.56 0
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32779 7848271 1 SN2O3C17H22 AB2C3D17E22 -107.58 8.73 -9.24 -0.82 0
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32780 7848288 1 SN2O4C21H22 AB2C4D21E22 -99.48 5.36 -8.85 -0.94 0
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32781 7848298 1 SN2O4C17H22 AB2C4D17E22 -154.73 5.11 -9.51 -1.47 0
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32782 7848311 1 NO4C15H21 AB4C15D21 -172.51 3.18 -8.76 -0.1 0
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32783 7848314 1 SN2O4C19H24 AB2C4D19E24 -158.17 4.64 -9.5 -1.45 0
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32784 7848315 1 N2O3C15H18 A2B3C15D18 -99.1 3.59 -9.36 -0.77 0
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32785 7848323 1 NO4C15H21 AB4C15D21 -171.18 4.78 -8.34 -0.03 0
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32786 7848398 1 N2F3O4C16H19 A2B3C4D16E19 -309.23 6.85 -9.28 -0.7 0