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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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