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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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191931 78203802 1 OSN3C13H13 ABC3D13E13 16.36 4.34 -9.3 -1.08 0
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191932 78204094 1 O3N5C13H15 A3B5C13D15 -53.07 2.3 -8.94 -0.72 0
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191933 78204603 1 ON6H16C17 AB6C16D17 99.15 7.48 -9.28 -0.72 0
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191934 78205090 1 O3N5C17H21 A3B5C17D21 -62.37 5.34 -9.53 -0.06 0
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191935 78205440 1 N3O4C8H13 A3B4C8D13 -167.34 3.56 -9.8 -0.38 0
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191936 78205441 1 SN3O4C12H13 AB3C4D12E13 -124.81 4.3 -9.54 -0.76 0
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191937 78205442 1 SO3N4C12H14 AB3C4D12E14 -59.81 2.94 -9.23 -1.2 0
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191938 78205569 2 NO2C9H11 AB2C9D11 -134.6 3.24 -9.16 -1.31 0
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191939 78205961 1 O2N5C19H23 A2B5C19D23 17.62 7.03 -8.96 -0.48 0
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191940 78206103 1 SO2N4C15H24 AB2C4D15E24 -54.72 4.63 -9.33 -0.38 0
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191941 78206373 1 ON4C10H14 AB4C10D14 0.6 3.82 -8.64 0.15 1
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191942 78207107 1 N2O3C9H13 A2B3C9D13 -118.65 3.78 0.0 0.0 0
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191943 78207176 1 ClO2N5C15H22 AB2C5D15E22 -66.91 7.13 -9.54 -0.03 0
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191944 78207332 1 NO3H7C11 AB3C7D11 -43.97 4.17 -9.94 -2.2 0
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191945 78207333 1 NO4H11C12 AB4C11D12 -84.61 6.29 -10.03 -1.86 1
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191946 78207357 1 O3N4C16H17 A3B4C16D17 -44.38 2.09 0.0 0.0 0
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191947 78207584 1 O2N6H8C11 A2B6C8D11 87.9 9.29 -9.83 -2.71 0
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191948 78207647 1 N4O4C15H16 A4B4C15D16 -91.1 3.95 -9.34 -0.58 0
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191949 78207758 1 ClO3N5C10H12 AB3C5D10E12 4.62 5.74 -10.1 -0.88 0
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191950 78207759 2 SN2C5H6 AB2C5D6 81.32 8.33 -8.63 -1.55 0
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191951 78207760 1 OS2N3C12H15 AB2C3D12E15 8.9 3.84 -9.05 -1.72 0
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191952 78207768 1 N3O5C16H17 A3B5C16D17 -153.82 6.04 -9.13 -1.12 1
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191953 78207815 1 O3N4H17C18 A3B4C17D18 -23.72 2.95 0.0 0.0 0
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191954 78208059 1 OSCl2N2H8C9 ABC2D2E8F9 6.35 4.7 -9.57 -1.9 0
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191955 78208060 1 ON2S2C10H12 AB2C2D10E12 9.5 5.67 -9.24 -1.44 0
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191956 78208061 1 SO2N3C10H11 AB2C3D10E11 -30.66 3.47 -9.34 -1.39 0
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191957 78208351 1 N2O3C19H24 A2B3C19D24 -100.48 5.17 -8.74 -0.22 0
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191958 78208352 1 SO2N4C17H20 AB2C4D17E20 18.89 3.47 -9.4 -2.28 0
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191959 78208353 1 FN2O2H19C20 AB2C2D19E20 -10.28 4.25 -9.06 -1.53 0
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191960 78208354 2 NOC11H16 ABC11D16 -116.29 5.05 -9.0 0.45 0
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191961 78208355 1 N2O3C16H20 A2B3C16D20 -85.27 10.68 -9.56 -1.91 0
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191962 78208356 1 N2O3C17H22 A2B3C17D22 -37.19 3.81 -8.79 -1.85 0
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191963 78208357 1 N2O2C21H30 A2B2C21D30 -105.58 6.94 -9.39 -0.05 0
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191964 78208358 2 NOC11H16 ABC11D16 -113.11 8.41 -9.16 0.15 0
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191965 78208359 2 NOC11H16 ABC11D16 -108.67 6.64 -9.36 -0.05 0
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191966 78208360 1 N2O5C18H20 A2B5C18D20 -145.39 3.97 -9.34 -1.62 0
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191967 78208361 1 N2O5C16H20 A2B5C16D20 -151.96 11.53 -9.39 -1.76 0
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191968 78208362 1 N2O3C20H28 A2B3C20D28 -137.91 8.25 -9.3 0.26 0
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191969 78208363 1 N2O3C17H22 A2B3C17D22 -94.2 9.56 -9.29 -1.83 0
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191970 78208364 1 N2O2C19H22 A2B2C19D22 -14.56 6.17 -8.86 -0.18 0
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191971 78208365 1 N2O2C19H24 A2B2C19D24 -52.45 5.16 -9.46 -1.68 0
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191972 78208366 2 NOC10H13 ABC10D13 -68.91 3.9 -9.24 -0.46 0
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191973 78208367 1 N2O2C19H24 A2B2C19D24 -58.61 4.62 -9.33 -0.9 0
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191974 78208368 1 N2O2C19H24 A2B2C19D24 -56.97 3.05 -9.2 -0.49 0
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191975 78208383 1 O2N3C17H19 A2B3C17D19 23.12 6.92 -9.32 -2.04 0
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191976 78208502 1 SO2N3C10H15 AB2C3D10E15 -63.05 6.58 -9.46 -1.46 1
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191977 78208523 1 SO2N4C17H21 AB2C4D17E21 -25.23 1.96 0.0 0.0 0
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191978 78208785 1 ON5C18H23 AB5C18D23 54.56 4.4 -8.57 0.01 0
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191979 78208875 1 SN3O3C15H21 AB3C3D15E21 -121.24 3.14 -8.9 -0.48 0
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191980 78208876 1 SO3N4C14H20 AB3C4D14E20 -110.21 3.34 -8.74 -0.48 1