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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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140013 52630737 1 ON3C23H25 AB3C23D25 17.22 6.2 -8.31 -0.68 1
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140014 52630738 1 SN4O4C23H31 AB4C4D23E31 -112.61 5.8 0.0 0.0 1
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140015 52631141 1 FO3N4C22H34 AB3C4D22E34 -152.19 3.84 0.0 0.0 0
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140016 52631142 1 FO3N4C22H33 AB3C4D22E33 -177.51 4.54 -8.58 -0.47 1
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140017 52631143 1 FO3N4C22H34 AB3C4D22E34 -153.13 4.5 0.0 0.0 0
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140018 52631290 1 NO3C21H27 AB3C21D27 -109.73 3.59 -8.59 0.12 0
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140019 52631495 1 O2N3C26H31 A2B3C26D31 -55.91 7.58 -8.68 -0.02 0
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140020 52631938 1 SN3O4C25H35 AB3C4D25E35 -163.21 4.98 -9.58 -0.61 0
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140021 52632787 1 ClSN2O2C25H25 ABC2D2E25F25 -33.63 4.17 -9.4 -0.6 0
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140022 52632852 1 SN3O4C21H33 AB3C4D21E33 -189.86 3.07 -9.41 -0.05 1
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140023 52633008 1 O2N5C21H24 A2B5C21D24 -8.22 4.4 0.0 0.0 0
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140024 52633009 1 O2N5C21H23 A2B5C21D23 -9.06 3.04 -8.43 -0.89 0
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140025 52633371 1 O2N5H23C26 A2B5C23D26 17.92 4.51 -7.9 -1.1 0
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140026 52633372 1 O2F3N5C24H24 A2B3C5D24E24 -176.2 5.27 -8.72 -1.27 0
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140027 52633373 1 SO3N5H21C22 AB3C5D21E22 -26.34 6.13 -8.36 -0.65 0
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140028 52633374 1 SN4O4C22H22 AB4C4D22E22 -52.52 7.06 -8.13 -0.61 1
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140029 52634016 1 BrN2O2C18H28 AB2C2D18E28 -60.9 2.4 0.0 0.0 0
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140030 52634338 1 O2S2N4C21H26 A2B2C4D21E26 -56.38 8.96 -8.43 -1.19 0
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140031 52634828 1 OSN4C21H22 ABC4D21E22 81.74 8.2 -8.11 -0.83 0
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140032 52634950 1 SN3O4H15C17 AB3C4D15E17 -22.67 5.35 -9.37 -1.38 0
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140033 52634956 1 FOSN3C18H24 ABCD3E18F24 -39.64 7.12 -8.93 -0.71 0
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140034 52634957 1 FOSN3C18H24 ABCD3E18F24 -41.13 5.62 -8.74 -0.63 0
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140035 52634958 1 FOSN3C18H24 ABCD3E18F24 -40.35 4.2 -8.52 -0.6 0
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140036 52634959 1 BrFOSN4H16C18 ABCDE4F16G18 10.13 3.97 -9.14 -0.83 0
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140037 52635054 1 O2N3S3C16H27 A2B3C3D16E27 -66.51 3.95 -8.84 -1.29 0
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140038 52635055 1 O2N3S3C16H27 A2B3C3D16E27 -62.8 4.72 -8.84 -1.3 0
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140039 52635186 1 OSN4C18H30 ABC4D18E30 -3.79 3.84 -8.68 -0.06 0
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140040 52635187 1 OSN4C18H30 ABC4D18E30 -0.67 3.12 -8.35 0.29 0
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140041 52635316 1 ClO3N4C22H25 AB3C4D22E25 -90.23 5.77 -8.04 -0.73 0
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140042 52635508 2 NO2C10H12 AB2C10D12 -56.36 6.9 -9.45 -1.42 1
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140043 52635671 1 SN3O3C20H24 AB3C3D20E24 -39.71 14.91 0.0 0.0 0
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140044 52635672 1 SN3O3C20H23 AB3C3D20E23 -64.21 8.9 -8.11 -0.67 1
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140045 52635673 1 O2N3C22H24 A2B3C22D24 -6.06 23.32 0.0 0.0 0
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140046 52635674 1 O2N3C22H23 A2B3C22D23 -29.51 6.12 -7.7 -1.14 0
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140047 52635863 1 OF2N2H16C20 AB2C2D16E20 -54.43 4.1 -8.76 -0.62 0
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140048 52635999 1 FSN2O2C20H23 ABC2D2E20F23 -91.45 3.52 -8.8 -1.02 0
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140049 52636049 1 SN3O3H21C25 AB3C3D21E25 -12.92 7.53 -8.75 -0.95 0
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140050 52637057 1 FSN3O3H18C21 ABC3D3E18F21 -56.38 3.26 -8.09 -1.14 0
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140051 52637259 2 ON3H9C11 AB3C9D11 77.97 15.01 -9.03 -1.59 0
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140052 52637385 1 FN2O2H15C19 AB2C2D15E19 -69.04 6.86 -9.49 -1.01 0
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140053 52637386 1 FOCl2N3H18C20 ABC2D3E18F20 -37.05 3.82 -9.38 -1.1 0
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140054 52637387 1 ClFNO3H17C22 ABCD3E17F22 -97.34 1.61 -9.73 -0.98 0
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140055 52638061 1 BrNOF3C17H25 ABCD3E17F25 -255.91 5.88 -9.98 -0.12 0
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140056 52638303 1 FSN3O4C21H22 ABC3D4E21F22 -154.68 11.18 -9.41 -0.86 0
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140057 52638365 1 ClSN2O5C19H29 ABC2D5E19F29 -228.01 5.81 -9.67 -1.06 0
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140058 52638656 1 BrN3O3H18C20 AB3C3D18E20 -28.87 3.27 -8.84 -0.56 0
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140059 52638755 1 OSN2F4C17H18 ABC2D4E17F18 -212.06 5.04 -9.36 -1.37 0
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140060 52638756 1 OSN2F3C18H23 ABC2D3E18F23 -193.82 2.59 -9.1 -0.66 0
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140061 52639095 1 O2F3N3C19H22 A2B3C3D19E22 -212.87 2.83 -9.4 -1.32 0
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140062 52639096 1 BrN2O3C16H21 AB2C3D16E21 -131.11 6.0 -8.98 -0.27 0
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140063 52639097 1 NSO4C11H13 ABC4D11E13 -80.43 3.41 -10.21 -1.89 0
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140064 52639098 1 SCl2N2O3C16H22 AB2C2D3E16F22 -140.78 3.49 -9.21 -0.77 0
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140065 52639123 1 S2N3O3C17H23 A2B3C3D17E23 -91.52 4.6 -9.18 -0.79 0
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140066 52639379 1 ClSO2N4H19C21 ABC2D4E19F21 42.15 8.46 -8.6 -0.64 0
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140067 52639380 1 ClO2S2N3H16C20 AB2C2D3E16F20 11.92 5.04 -8.73 -0.94 0
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140068 52639422 1 FN2O3C21H25 AB2C3D21E25 -167.58 2.03 -8.79 -0.2 0
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140069 52639572 1 FO2N3C14H16 AB2C3D14E16 -69.78 3.51 -8.74 -0.56 0
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140070 52640524 1 BrClNSO3H11C17 ABCDE3F11G17 -29.02 2.59 -9.11 -1.71 0
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140071 52640930 1 ON3C18H25 AB3C18D25 -3.26 3.56 -8.33 0.15 0
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140072 52642160 1 ClSN3O4H20C21 ABC3D4E20F21 -89.0 6.24 -9.01 -1.18 0
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140073 52642161 1 SO4N5C23H29 AB4C5D23E29 -120.37 5.59 -8.88 -0.47 0
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140074 52642498 1 SO2N3C16H27 AB2C3D16E27 -88.65 6.1 -8.81 -0.47 0
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140075 52642513 1 FO2N4C11H11 AB2C4D11E11 7.79 7.85 -9.01 -1.28 0
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140076 52642787 1 ClSO2N4C21H23 ABC2D4E21F23 -8.29 5.29 -8.55 -1.33 0
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140077 52642795 1 S2O3N5C18H25 A2B3C5D18E25 -58.49 12.21 -9.4 -0.81 0
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140078 52642841 1 SN2O3C15H16 AB2C3D15E16 -74.04 3.96 -9.49 -1.06 0
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140079 52643081 1 N3O3C21H37 A3B3C21D37 -141.32 2.94 -8.38 -0.08 0
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140080 52643082 1 BrN2O3C18H21 AB2C3D18E21 -86.07 4.5 -8.56 -0.33 0
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140081 52643083 1 BrN2O3C18H21 AB2C3D18E21 -86.46 6.35 -8.53 -0.36 0
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140082 52643221 1 SF2N2O2H16C19 AB2C2D2E16F19 -95.03 7.98 -9.33 -1.5 0
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140083 52643222 1 OSF2N2H16C19 ABC2D2E16F19 -66.52 5.45 -9.28 -1.12 0
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140084 52643473 1 NSO4C21H25 ABC4D21E25 -102.05 6.43 -9.11 -1.2 0
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140085 52643609 1 SCl2O2N3H15C19 AB2C2D3E15F19 15.93 5.24 -9.08 -2.09 0
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140086 52643696 1 Cl2N3O3H9C18 A2B3C3D9E18 57.77 6.47 -9.28 -1.9 0
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140087 52644364 1 Cl2N2O2F3H9C18 A2B2C2D3E9F18 -145.06 4.72 -9.76 -1.53 0
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140088 52644446 1 NSF3O3H10C18 ABC3D3E10F18 -158.5 4.13 -9.31 -1.5 0
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140089 52644562 1 OSN5C21H21 ABC5D21E21 69.01 6.07 -8.68 -0.62 -1
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140090 52644736 1 ClSO3N4H18C20 ABC3D4E18F20 0.15 6.63 0.0 0.0 0
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140091 52645391 1 F2O2N3H17C21 A2B2C3D17E21 -78.46 1.92 -8.93 -1.14 0
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140092 52645721 1 FN2S2O4C20H23 AB2C2D4E20F23 -165.71 9.6 -9.29 -0.89 0
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140093 52646002 1 FSO2N3C18H18 ABC2D3E18F18 -51.59 4.95 -9.22 -0.46 0
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140094 52646029 1 ClOSN4H17C21 ABCD4E17F21 70.33 2.52 -9.03 -0.98 0
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140095 52646375 1 BrN3O3C23H24 AB3C3D23E24 -25.46 4.17 -8.82 -0.8 0
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140096 52646619 1 BrNO3H20C21 ABC3D20E21 -50.43 3.69 -9.13 -0.4 0
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140097 52646620 1 BrO2N3H16C21 AB2C3D16E21 52.46 4.37 -9.45 -1.18 0
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140098 52646677 1 N2O2F3C22H25 A2B2C3D22E25 -209.28 6.1 -8.19 -0.48 0
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140099 52646702 1 NO2S2H21C22 AB2C2D21E22 -4.23 4.42 -8.59 -0.38 0
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140100 52647100 1 SO2N3C17H21 AB2C3D17E21 -32.49 2.73 -8.65 -0.84 0
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140101 52647249 1 SO2N5C24H33 AB2C5D24E33 -48.14 4.03 -8.31 -0.01 0
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140102 52647392 1 NSO3C20H23 ABC3D20E23 -72.86 4.5 -8.77 -0.6 0
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140103 52648327 1 N2O3C26H28 A2B3C26D28 -78.39 2.83 -8.81 -0.1 0
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140104 52648373 1 SO3N6C21H24 AB3C6D21E24 -9.43 12.72 -9.44 -1.16 0
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140105 52648414 2 NOC10H13 ABC10D13 -67.45 3.54 -8.84 -0.23 0
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140106 52648415 1 SN2O2C21H22 AB2C2D21E22 -17.71 3.92 -8.88 -0.31 0
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140107 52648686 1 N2O2C21H24 A2B2C21D24 -53.62 4.41 -8.59 -0.19 0
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140108 52649095 1 SN3O3C25H35 AB3C3D25E35 -106.46 3.26 -8.56 -0.6 0
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140109 52649184 1 N2F3O4C21H21 A2B3C4D21E21 -274.4 4.62 -9.07 -0.68 0
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140110 52649317 1 F3N3O3C24H28 A3B3C3D24E28 -221.77 5.25 -8.18 -0.49 1
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140111 52649396 1 OF3N3C24H25 AB3C3D24E25 -115.04 2.72 0.0 0.0 0
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140112 52649452 1 O2N4H16C21 A2B4C16D21 45.22 4.66 -8.67 -1.67 0