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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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148977 53788648 1 SN2O3C8H10 AB2C3D8E10 -99.39 2.46 -9.18 -0.22 0
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148978 53788649 1 NO3C28H31 AB3C28D31 -77.83 4.09 -9.25 -0.79 0
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148979 53788650 1 O7C15H16 A7B15C16 -268.55 5.09 -9.41 -1.0 0
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148980 53788651 1 O7C15H16 A7B15C16 -272.7 5.01 -9.28 -0.9 0
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148981 53788652 1 SN4O5H18C20 AB4C5D18E20 -83.4 9.37 -9.48 -1.28 0
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148982 53788653 1 Cl2O2N3C27H27 A2B2C3D27E27 -11.6 5.25 -8.55 -0.79 0
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148983 53788654 1 Cl2O2N3C27H27 A2B2C3D27E27 -14.59 5.94 -8.72 -0.71 0
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148984 53788655 1 BrFO4N5H21C24 ABC4D5E21F24 -99.99 8.33 -9.37 -0.95 0
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148985 53788656 1 FSN2O5C10H11 ABC2D5E10F11 -225.58 4.28 -9.45 -1.0 0
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148986 53788657 1 O6C21H38 A6B21C38 -330.85 5.45 -10.76 -0.66 0
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148987 53788658 1 NI2H13C14 AB2C13D14 74.06 1.84 -9.24 -0.83 0
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148988 53788659 1 O3C20H32 A3B20C32 -158.92 8.16 -9.93 -0.78 0
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148989 53788660 1 OSCl2F3H5C12 ABC2D3E5F12 -165.32 1.26 -9.79 -2.2 0
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148990 53788661 1 OC28H42 AB28C42 -44.45 2.01 -9.1 0.44 0
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148991 53788662 1 BrC15H23 AB15C23 -12.02 2.5 -8.91 -0.33 0
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148992 53788663 1 OSF5C21H33 ABC5D21E33 -325.73 8.08 -9.75 -0.58 0
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148993 53788664 1 N2O2C23H30 A2B2C23D30 -20.44 3.23 -8.96 0.29 0
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148994 53788665 1 ClN8O9C44H51 AB8C9D44E51 -345.32 8.17 -8.71 -0.71 0
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148995 53788666 1 SiO5C11H26 AB5C11D26 -302.39 2.16 -9.87 0.9 0
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148996 53788667 1 FNO4C12H20 ABC4D12E20 -241.33 4.1 -10.36 -0.19 0
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148997 53788668 1 NO4C15H21 AB4C15D21 -178.8 5.5 -8.9 0.18 0
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148998 53788669 1 NO5H23C25 AB5C23D25 -110.07 3.47 -9.06 -0.98 0
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148999 53788670 1 NPO5C7H14 ABC5D7E14 -254.02 1.41 -10.14 -0.37 0
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149000 53788671 1 N2O4C25H26 A2B4C25D26 -99.66 7.29 -9.58 -1.0 0
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149001 53788672 1 N3O3H21C22 A3B3C21D22 -36.27 4.88 -8.82 -0.96 0
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149002 53788673 1 N2O2C13H20 A2B2C13D20 -83.35 3.23 -9.56 -0.32 0
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149003 53788674 1 SN3O6C23H23 AB3C6D23E23 -180.98 6.43 -9.49 -0.97 0
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149004 53788675 1 FON2C19H23 ABC2D19E23 -35.03 0.09 -8.8 0.02 0
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149005 53788676 2 ON4C13H14 AB4C13D14 50.41 10.38 -9.23 -1.04 0
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149006 53788677 1 N3O3C16H21 A3B3C16D21 -106.63 6.3 -9.44 -0.63 0
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149007 53788678 1 ClSN2O2C6H9 ABC2D2E6F9 -42.26 4.37 -8.7 -0.09 0
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149008 53788679 1 NSO4C10H19 ABC4D10E19 -207.4 5.45 -9.6 -0.15 0
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149009 53788680 1 SO2N3C22H25 AB2C3D22E25 -14.5 9.37 -8.27 -0.1 0
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149010 53788681 1 SO3C25H40 AB3C25D40 -141.71 5.89 -9.33 -0.53 0
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149011 53788682 1 O3C9H14 A3B9C14 -104.38 4.17 -10.16 -0.27 0
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149012 53788683 1 N4O4H22C31 A4B4C22D31 53.63 8.8 -8.94 -1.08 0
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149013 53788684 1 S2N5O9H21C22 A2B5C9D21E22 -172.02 12.16 -9.58 -1.61 0
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149014 53788685 1 NOC28H47 ABC28D47 -103.13 4.2 -8.44 0.74 0
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149015 53788686 2 NCl2O3H10C12 AB2C3D10E12 -149.64 7.39 -9.06 -2.18 0
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149016 53788687 1 N2O2C17H26 A2B2C17D26 -92.81 3.6 -8.75 -0.28 0
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149017 53788688 1 NO4C10H15 AB4C10D15 -118.07 3.82 -8.54 -0.8 0
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149018 53788689 2 NO2C15H20 AB2C15D20 -121.79 3.93 -8.22 -1.08 0
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149019 53788690 1 SN5O6C10H11 AB5C6D10E11 -174.34 4.59 -9.52 -1.38 0
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149020 53788691 1 ClSN2O7C15H17 ABC2D7E15F17 -248.36 9.4 -9.58 -1.04 0
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149021 53788692 1 O3C27H38 A3B27C38 -142.01 4.83 -8.86 -0.48 0
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149022 53788693 1 BrN2S2O3C25H33 AB2C2D3E25F33 -11.82 5.89 -8.73 -1.39 0
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149023 53788694 1 NSO5C13H19 ABC5D13E19 -229.11 2.36 -9.32 -0.18 0
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149024 53788695 1 FSO3N5H24C26 ABC3D5E24F26 -57.73 1.2 -9.01 -1.15 0
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149025 53788696 1 C19H30 A19B30 19.41 0.52 -9.27 1.23 0
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149026 53788697 1 NC17H25 AB17C25 -8.0 2.7 -8.31 0.23 0
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149027 53788698 1 FO4N6C27H27 AB4C6D27E27 -104.2 3.33 -8.86 -1.07 1
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149028 53788699 1 F2S2N5O5C20H20 A2B2C5D5E20F20 -167.02 3.22 0.0 0.0 0
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149029 53788700 1 ON2C8H12 AB2C8D12 -12.8 2.7 -9.51 -0.38 0
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149030 53788701 1 FOC20H29 ABC20D29 -96.02 2.9 -8.51 0.37 0
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149031 53788702 2 OC17H31 AB17C31 -171.83 3.23 -9.42 0.03 0
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149032 53788703 1 NOSH7C8 ABCD7E8 45.37 2.68 -8.37 -0.69 0
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149033 53788704 1 OBr4C5H8 AB4C5D8 -52.58 2.27 -10.53 -1.92 0
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149034 53788705 2 ON2C14H23 AB2C14D23 -113.16 7.44 -8.15 -0.67 0
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149035 53788706 1 ON4C17H20 AB4C17D20 63.38 3.5 -8.64 -0.65 0
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149036 53788707 1 ClFN3O3H13C18 ABC3D3E13F18 -16.25 6.06 -9.73 -1.83 0
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149037 53788708 1 S4O8C31H34 A4B8C31D34 -279.59 5.15 -8.4 -0.92 0
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149038 53788709 1 O4H22C25 A4B22C25 -76.8 5.06 -8.94 -0.49 0
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149039 53788710 3 OC6H10 AB6C10 -150.94 5.62 -9.87 -0.78 0
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149040 53788711 1 NO4C22H31 AB4C22D31 -183.91 2.47 -8.79 -0.54 0
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149041 53788712 1 N3O7C20H27 A3B7C20D27 -276.34 4.52 -8.89 -1.15 0
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149042 53788713 1 S3O7N10C22H26 A3B7C10D22E26 -86.29 6.8 -9.51 -1.33 0
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149043 53788714 1 N4O6C17H20 A4B6C17D20 -200.82 6.14 -9.1 -0.83 0
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149044 53788715 1 ClSN3O3H6C7 ABC3D3E6F7 -38.66 4.44 -10.78 -1.85 1
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149045 53788716 1 SN6C10H17 AB6C10D17 71.77 3.42 0.0 0.0 0
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149046 53788717 1 NO3H13C16 AB3C13D16 -65.48 4.05 -8.76 -0.56 0
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149047 53788718 1 F3S3N9O15C60H70 A3B3C9D15E60F70 -568.55 11.0 -8.31 -1.28 0
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149048 53788719 1 SN4O4C17H22 AB4C4D17E22 -110.52 7.42 -8.71 -0.52 0
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149049 53788720 1 SN2F3O6C18H19 AB2C3D6E18F19 -333.02 2.15 -8.59 -1.32 0
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149050 53788721 1 SN3O5C25H29 AB3C5D25E29 -118.23 4.24 -8.25 -0.58 0
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149051 53788722 3 C7H10 A7B10 109.87 1.43 -8.19 0.67 0
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149052 53788723 2 N3C6H8 A3B6C8 41.47 2.59 -8.02 0.06 0
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149053 53788724 1 ClFN2O3C21H24 ABC2D3E21F24 -136.74 3.44 -9.07 -0.48 0
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149054 53788725 1 NO2C17H33 AB2C17D33 -117.98 0.67 -8.26 -0.29 0
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149055 53788726 1 PN3O5C12H20 AB3C5D12E20 -240.43 4.57 -8.97 -0.03 0
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149056 53788727 1 C29H52 A29B52 -92.05 0.24 -8.94 0.5 0
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149057 53788728 1 NO5C16H23 AB5C16D23 -216.05 5.2 -9.2 -0.3 0
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149058 53788729 1 SN3O3C19H19 AB3C3D19E19 -30.69 8.59 -9.23 -1.1 0
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149059 53788730 1 ClOC20H35 ABC20D35 -64.18 0.95 -9.64 0.78 0
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149060 53788731 1 ON2S2C8H18 AB2C2D8E18 -65.61 3.18 -8.92 -1.1 0
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149061 53788732 1 N2O11C41H46 A2B11C41D46 -341.73 4.32 -8.66 -0.34 0
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149062 53788733 1 S2N7O7H29C34 A2B7C7D29E34 -36.86 9.96 -8.44 -1.92 0
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149063 53788734 4 OC4H4 AB4C4 -141.19 2.7 -8.83 -0.67 0
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149064 53788735 1 NOCl3H16C20 ABC3D16E20 -2.04 3.43 -9.52 -0.6 0
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149065 53788736 1 N5C15H27 A5B15C27 53.01 4.0 -8.11 0.03 0
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149066 53788737 1 SN4O4C12H18 AB4C4D12E18 -91.99 4.71 -8.43 -0.69 0
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149067 53788738 2 O2C8H11 A2B8C11 -114.44 2.98 -9.23 -1.03 0
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149068 53788739 1 N3C14H19 A3B14C19 46.68 4.49 -8.78 -0.02 0
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149069 53788740 1 Si3O6C22H46 A3B6C22D46 -493.83 3.4 -9.45 -1.03 0
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149070 53788741 1 NOC25H29 ABC25D29 33.52 3.02 -8.29 -0.12 0
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149071 53788742 1 OC12H16 AB12C16 -31.01 1.93 -8.8 0.28 0
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149072 53788743 1 S3C5H12O12 A3B5C12D12 -503.54 2.12 -11.64 -1.22 0
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149073 53788744 6 OC4H5 AB4C5 -226.66 8.16 -9.03 -0.66 0
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149074 53788745 1 SF3N4O4H9C12 AB3C4D4E9F12 -159.58 1.82 -9.64 -2.0 0
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149075 53788746 1 SN3C15H19 AB3C15D19 31.23 6.24 -8.08 0.26 0
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149076 53788747 1 SN2O4H20C24 AB2C4D20E24 -69.37 6.21 -8.94 -1.54 0