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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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49992 11538630 1 FN2O4C22H27 AB2C4D22E27 -181.24 7.77 -8.68 -0.4 0
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49993 11538631 1 SN2O7C17H26 AB2C7D17E26 -244.78 5.07 -9.9 -0.36 0
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49994 11538633 1 SN2O4C21H26 AB2C4D21E26 -136.9 4.91 -8.44 -0.95 0
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49995 11538634 1 OSN4H22C23 ABC4D22E23 103.33 5.54 -8.47 -0.98 0
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49996 11538637 1 OSN6C20H30 ABC6D20E30 47.15 3.04 -8.7 -1.04 0
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49997 11538642 1 ClSN4H15C22 ABC4D15E22 187.85 4.64 -8.85 -1.91 0
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49998 11538648 1 OSCl2N4H12C18 ABC2D4E12F18 73.05 5.73 -9.04 -1.06 0
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49999 11538672 1 N2O2F3C22H23 A2B2C3D22E23 -148.91 9.62 -8.5 -0.82 0
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50000 11538696 1 NSO7C19H19 ABC7D19E19 -219.33 4.8 -9.89 -0.56 0
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50001 11538705 1 SN3O4C20H27 AB3C4D20E27 -144.38 2.17 -8.52 -0.95 0
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50002 11538706 1 OSN5C22H23 ABC5D22E23 111.92 1.64 -8.39 -1.92 0
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50003 11538718 1 FOSN4H19C22 ABCD4E19F22 63.79 5.13 -9.04 -0.99 0
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50004 11538720 2 ON3C11H13 AB3C11D13 39.99 3.91 -8.06 -0.43 0
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50005 11538732 1 NPO7C19H22 ABC7D19E22 -304.02 3.28 -9.51 -0.21 0
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50006 11538735 1 FO2N5C22H22 AB2C5D22E22 -22.8 4.6 -8.68 -0.84 0
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50007 11538738 1 N3O3C24H29 A3B3C24D29 -27.92 4.87 -8.88 -0.62 0
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50008 11538741 1 O2N3C25H33 A2B3C25D33 -61.01 5.75 -8.4 0.11 0
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50009 11538747 1 N3O3C21H29 A3B3C21D29 -115.62 3.56 -8.67 -0.84 0
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50010 11538750 1 F3N4O4H15C18 A3B4C4D15E18 -245.3 3.47 -8.84 -1.02 0
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50011 11538753 1 OF3N4H15C22 AB3C4D15E22 -96.23 4.72 -8.97 -1.09 0
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50012 11538756 1 S2O3N4H12C19 A2B3C4D12E19 12.48 8.23 -8.89 -1.39 0
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50013 11538761 3 OC9H12 AB9C12 -96.66 3.63 -8.98 -0.98 0
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50014 11538763 1 N2O3C24H44 A2B3C24D44 -184.01 4.94 -9.47 0.29 0
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50015 11538765 1 ClFON2H22C24 ABCD2E22F24 -24.82 5.35 -8.25 -0.39 0
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50016 11538767 1 BrN2O2H17C21 AB2C2D17E21 -25.35 11.27 -8.85 -1.44 0
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50017 11538769 1 O2N3F5H12C19 A2B3C5D12E19 -242.39 3.61 -9.2 -0.94 0
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50018 11538773 1 N3O7C19H27 A3B7C19D27 -189.89 6.38 -9.46 -0.2 0
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50019 11538778 1 NSiO3C24H31 ABC3D24E31 -135.71 1.33 -9.03 0.08 0
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50020 11538779 1 ClFSO2N5C17H17 ABCD2E5F17G17 -64.45 3.21 -8.72 -1.08 0
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50021 11538793 1 N2O5C23H26 A2B5C23D26 -145.61 5.97 -8.54 -0.79 0
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50022 11538794 1 N2O3H22C26 A2B3C22D26 -23.85 3.95 -8.8 -0.6 0
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50023 11538803 2 ON2C12H17 AB2C12D17 -74.16 5.68 -8.84 0.06 0
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50024 11538848 2 O2C13H18 A2B13C18 -113.56 2.38 -8.51 -0.84 0
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50025 11538852 1 ClSN2O6C17H17 ABC2D6E17F17 -141.86 3.19 -9.29 -1.65 0
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50027 11538865 1 N3O5C22H27 A3B5C22D27 -195.02 3.12 -8.93 -0.84 0
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50028 11538889 1 O2N6H22C23 A2B6C22D23 44.62 6.29 -8.76 -1.13 0
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50029 11538904 1 ClFON4C22H24 ABCD4E22F24 -28.95 4.52 -8.82 -0.27 0
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50030 11538905 1 ClSO2N4H19C20 ABC2D4E19F20 49.0 5.61 -9.15 -1.24 0
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50031 11538912 1 SF2O2N5H15C19 AB2C2D5E15F19 -73.63 2.55 -8.95 -0.99 0
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50032 11538915 1 N3O3C25H25 A3B3C25D25 7.17 4.86 -8.88 -0.86 0
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50033 11538916 1 FO2N5C22H30 AB2C5D22E30 -105.43 2.91 -8.94 -0.55 0
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50034 11538917 1 NO3C27H29 AB3C27D29 -49.03 3.94 -8.71 -0.98 0
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50035 11538933 1 SO2N4H20C23 AB2C4D20E23 36.24 6.71 -8.8 -0.94 0
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50036 11538934 1 O2N4C25H28 A2B4C25D28 -5.76 3.13 -8.63 0.15 0
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50037 11538938 1 SN4C24H40 AB4C24D40 1.03 1.31 -8.72 -0.65 0
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50038 11538939 1 SiN2O2C24H40 AB2C2D24E40 -134.78 4.2 -8.98 0.27 0
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50039 11538950 1 S2N3O4C19H19 A2B3C4D19E19 -83.86 2.3 -8.74 -1.04 0
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50040 11538979 1 ON4H22C27 AB4C22D27 78.54 3.14 -8.81 -1.12 0
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50041 11538980 1 SN2O5C21H26 AB2C5D21E26 -138.65 1.26 -9.06 -1.26 0
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50042 11538987 1 ClFN2O5H16C20 ABC2D5E16F20 -212.11 4.95 -9.5 -1.89 0
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50043 11538992 1 N5F6C18H19 A5B6C18D19 -229.75 6.08 -9.87 -1.01 0
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50044 11538999 1 O2N5C24H29 A2B5C24D29 -30.69 6.58 -8.65 -0.58 0
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50045 11539000 1 OSN3C25H29 ABC3D25E29 9.72 4.13 -8.39 -0.38 0
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50046 11539013 1 ClFON5H15C19 ABCD5E15F19 57.4 10.19 -7.61 -1.74 0
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50047 11539014 1 F2O7H18C21 A2B7C18D21 -347.18 3.36 -10.06 -0.91 0
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50048 11539016 1 O3N6C22H24 A3B6C22D24 -27.07 8.31 -8.56 -0.93 0
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50049 11539023 1 O2N6C23H28 A2B6C23D28 -29.33 4.34 -8.62 -0.29 0
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50050 11539026 1 N2O3C26H32 A2B3C26D32 -114.84 1.77 -9.18 -0.14 0
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50051 11539029 1 N2O2C27H36 A2B2C27D36 -67.52 2.38 -8.67 -0.27 0
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50052 11539038 1 FO2N5C23H24 AB2C5D23E24 -12.23 3.52 -8.66 -0.62 0
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50053 11539059 1 OF2N2C26H28 AB2C2D26E28 -75.17 2.34 -9.05 0.01 1
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50054 11539067 1 PtO2C3Cl3N3H11 AB2C3D3E3F11 10.58 8.91 0.0 0.0 0
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50055 11539070 1 ClO6C22H27 AB6C22D27 -238.01 4.05 -8.9 -0.29 0
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50056 11539081 1 N3O4C24H29 A3B4C24D29 -103.51 9.49 -8.73 -0.92 0
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50057 11539084 1 SN3O5C20H29 AB3C5D20E29 -141.73 7.89 -8.48 -0.29 0
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50058 11539085 1 NO2C29H29 AB2C29D29 11.58 2.13 -8.96 -0.22 0
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50059 11539086 1 NO2C28H41 AB2C28D41 -11.38 1.99 -9.22 1.0 0
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50060 11539087 1 ClON9H18C19 ABC9D18E19 148.65 3.66 -8.93 -1.36 0
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50061 11539102 1 FO3N4C23H25 AB3C4D23E25 -117.57 6.94 -8.9 -0.54 0
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50062 11539118 1 ClO3N4H21C22 AB3C4D21E22 -48.27 2.69 -8.76 -0.83 0
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50063 11539119 1 ClS2O3N4C17H17 AB2C3D4E17F17 -36.28 8.21 -9.32 -1.27 0
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50064 11539124 1 NO8H19C22 AB8C19D22 -167.77 9.21 -9.27 -1.21 0
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50065 11539137 1 BrClOPN2C17H17 ABCDE2F17G17 -32.72 5.37 -8.69 -0.21 0
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50066 12011212 1 N7O11C45H69 A7B11C45D69 -406.1 8.77 -8.8 -0.26 -1
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50067 12011293 1 PSi2C12H24 AB2C12D24 -105.76 3.82 0.0 0.0 0
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50068 12011429 1 S4N8O13H18C32 A4B8C13D18E32 -167.24 6.84 -8.6 -3.21 0
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50069 12011645 1 N2O3C11H16 A2B3C11D16 -106.54 5.61 -7.86 0.21 0
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50070 12011647 1 N2O3C12H18 A2B3C12D18 -123.65 3.86 -8.63 0.04 0
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50071 12011981 1 SC14O14H26 AB14C14D26 -613.99 8.28 -10.57 -0.24 0
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50072 12011984 1 ClNO4H8C13 ABC4D8E13 -20.51 5.17 -9.72 -2.16 0
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50073 12012573 1 O5C9H12 A5B9C12 -195.55 2.78 -10.72 -0.3 0
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50074 12012574 3 SO3C9H10 AB3C9D10 -305.06 12.96 -10.1 -0.67 0
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50075 12012575 3 OC4H6 AB4C6 -71.7 2.13 -10.08 1.37 0
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50076 12012576 3 CNH3 ABC3 24.54 2.96 -8.81 2.12 0
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50077 12012577 1 SN2O5H14C15 AB2C5D14E15 -31.13 6.94 -9.98 -1.68 0
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50078 12012579 1 N2O5C12H14 A2B5C12D14 -74.34 6.48 -9.86 -1.47 0
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50079 12012581 1 SN2O5H14C15 AB2C5D14E15 -30.95 6.91 -10.0 -1.66 0
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50080 12012583 1 ON3C9H9 AB3C9D9 64.88 2.36 -9.67 -0.9 0
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50081 12012584 1 SN2O3C14H14 AB2C3D14E14 -15.97 5.39 -9.58 -0.84 0
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50082 12012585 1 NSO3C10H13 ABC3D10E13 -63.19 1.73 -8.93 -0.59 0
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50083 12012586 1 OSN2C8H8 ABC2D8E8 61.05 3.62 -9.04 -0.7 0
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50084 12012587 1 NS2O3C13H13 AB2C3D13E13 -19.85 5.98 -8.99 -0.65 0
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50085 12012588 1 NSO6C14H19 ABC6D14E19 -208.29 4.97 -9.06 -0.42 0
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50086 12012589 1 SN2O4C12H14 AB2C4D12E14 -82.64 8.42 -9.17 -0.54 0
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50087 12012590 1 NS2O6C17H19 AB2C6D17E19 -163.33 8.11 -9.2 -0.54 0
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50088 12012591 1 BrOH15C23 ABC15D23 136.08 4.07 -8.49 -0.99 0
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50089 12012592 1 FH13C22 AB13C22 127.21 2.17 -8.78 -1.06 0
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50090 12012593 1 OF3H15C24 AB3C15D24 -28.35 4.4 -8.57 -1.05 0
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50091 12012594 1 BrOH15C23 ABC15D23 136.26 1.58 -8.75 -1.13 0
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50092 12012595 1 OH16C23 AB16C23 134.33 2.21 -8.52 -0.64 0