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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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194895 78606020 1 O5H20C21 A5B20C21 -146.83 1.87 -8.97 -0.9 0
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194896 78606021 1 O3N4C21H22 A3B4C21D22 27.35 8.25 -8.94 -1.2 0
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194897 78606022 1 NO5C22H23 AB5C22D23 -172.03 2.76 -8.76 -1.69 0
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194898 78606023 1 FCl2N2O2H13C18 AB2C2D2E13F18 -55.8 3.15 -8.6 -1.2 0
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194899 78606024 1 ClN4O4H19C20 AB4C4D19E20 -5.73 9.07 -8.52 -1.21 0
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194900 78606025 1 ClO2N3C20H20 AB2C3D20E20 -4.09 6.17 -8.4 -0.94 0
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194901 78606026 1 NS2O3H19C20 AB2C3D19E20 -39.29 6.2 -8.63 -1.05 0
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194902 78606027 1 NSO3C16H17 ABC3D16E17 -70.15 4.73 -8.75 -0.96 0
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194903 78606086 1 OSN5C20H21 ABC5D20E21 68.33 2.49 -8.59 -0.94 0
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194904 78606434 1 NO4C23H31 AB4C23D31 -203.88 4.03 -9.1 0.3 0
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194905 78606499 1 NO5C25H27 AB5C25D27 -187.88 5.31 -8.82 -0.24 0
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194906 78606500 1 NO5C22H29 AB5C22D29 -226.38 3.86 -8.89 -0.01 1
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194907 78607280 1 FSN2O4C20H26 ABC2D4E20F26 -139.82 3.7 0.0 0.0 2
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194908 78607281 2 NOC12H17 ABC12D17 -32.8 3.81 -8.67 0.25 1
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194909 78607282 1 ClNO3C23H23 ABC3D23E23 -38.34 4.2 0.0 0.0 0
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194910 78607783 1 ClN3O3C22H24 AB3C3D22E24 -16.54 3.62 -8.6 -0.65 0
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194911 78607784 1 O2N3C21H25 A2B3C21D25 -6.13 3.97 -8.52 -0.62 0
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194912 78608538 4 NOC4H4 ABC4D4 -1.44 7.36 -9.02 -1.33 0
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194913 78608539 4 NOC4H4 ABC4D4 -2.16 11.26 -9.1 -1.46 0
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194914 78608540 1 O2N3H19C20 A2B3C19D20 22.38 4.81 -8.69 -0.74 0
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194915 78608585 1 N3O4C18H21 A3B4C18D21 -84.86 4.05 -8.41 -0.23 0
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194916 78608586 1 O2F3N3H16C17 A2B3C3D16E17 -159.03 8.74 -8.99 -1.0 0
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194917 78608895 1 N3O3C22H25 A3B3C22D25 -55.9 3.88 -8.76 -0.35 0
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194918 78608896 1 N3O3C20H23 A3B3C20D23 -51.13 3.89 -8.78 -0.35 0
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194919 78608897 1 OSN4C16H20 ABC4D16E20 32.83 5.99 -8.26 -0.53 0
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194920 78609611 1 N3O4C18H25 A3B4C18D25 -133.14 7.93 -8.81 0.19 1
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194921 78609765 1 O3N5C20H26 A3B5C20D26 -25.06 7.24 0.0 0.0 0
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194922 78609766 1 O3N5C20H25 A3B5C20D25 -8.52 3.96 -9.4 -1.51 0
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194923 78609913 1 SN3O4C18H21 AB3C4D18E21 -67.59 6.44 -8.72 -1.38 0
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194924 78610022 1 OCl2N2C15H20 AB2C2D15E20 -32.45 3.31 -9.49 -0.55 0
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194925 78610023 1 FSN2O4H15C17 ABC2D4E15F17 -121.48 3.16 -9.1 -1.38 0
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194926 78610024 1 SN2O6H18C19 AB2C6D18E19 -139.09 3.73 -8.73 -1.29 1
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194927 78610025 1 Cl2O2N3C14H18 A2B2C3D14E18 -62.53 1.22 0.0 0.0 0
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194928 78610168 1 SN3O4C19H23 AB3C4D19E23 -145.94 4.66 -8.91 -0.78 0
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194929 78610169 1 SN3O4C16H19 AB3C4D16E19 -115.5 5.28 -9.61 -1.29 0
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194930 78610170 1 SF3N3O4H16C17 AB3C3D4E16F17 -261.05 3.44 -9.76 -1.16 0
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194931 78610452 1 SO2N4C18H22 AB2C4D18E22 -47.91 1.49 -8.75 -0.6 0
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194932 78610708 1 NSO6C20H23 ABC6D20E23 -216.51 8.5 -9.15 -0.6 0
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194933 78610709 1 NSO6C21H25 ABC6D21E25 -218.29 8.47 -9.16 -0.62 0
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194934 78610718 1 NSO7C20H23 ABC7D20E23 -231.31 6.1 -8.64 -0.96 0
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194935 78610719 1 SN2O5H20C21 AB2C5D20E21 -138.63 3.75 -9.28 -1.32 0
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194936 78610720 1 NS2O5C20H23 AB2C5D20E23 -175.86 1.98 -9.12 -0.86 1
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194937 78610721 1 N3O5C22H24 A3B5C22D24 -118.82 3.61 0.0 0.0 0
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194938 78610722 1 SN2O4C22H26 AB2C4D22E26 -139.14 4.5 -7.82 -0.79 0
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194939 78610723 1 SN2O6C18H24 AB2C6D18E24 -231.2 3.65 -9.21 -1.35 0
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194940 78610724 1 SN2O5C17H22 AB2C5D17E22 -173.04 5.95 -9.29 -1.45 0
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194941 78611219 1 SN2O3H20C22 AB2C3D20E22 -35.91 5.81 -8.81 -1.07 1
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194942 78611220 1 ClON2F3C20H21 ABC2D3E20F21 -136.77 7.83 0.0 0.0 0
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194943 78611221 1 ClON2F3C20H20 ABC2D3E20F20 -155.65 4.16 -8.9 -1.24 0
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194944 78611222 1 SN2O3H18C19 AB2C3D18E19 -57.2 4.92 -8.93 -1.0 0