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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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194945 78611412 1 S2N3O3C20H27 A2B3C3D20E27 -90.1 4.39 -8.66 -0.26 0
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194946 78612367 1 N2O4H20C21 A2B4C20D21 -59.27 4.51 -9.21 -0.96 0
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194947 78612369 2 NSO2C8H10 ABC2D8E10 -159.92 9.97 -8.8 -0.57 0
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194948 78612555 1 SN2O5C17H24 AB2C5D17E24 -203.69 5.17 -9.77 -1.46 0
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194949 78612556 1 SN2O5C16H24 AB2C5D16E24 -193.48 6.93 -9.6 -1.43 0
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194950 78612557 1 SN2O5C16H24 AB2C5D16E24 -202.14 4.93 -9.71 -1.44 0
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194951 78612558 1 SN2O5C18H26 AB2C5D18E26 -194.09 6.36 -9.64 -1.41 0
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194952 78612559 1 SN2O5C18H26 AB2C5D18E26 -205.83 4.74 -9.73 -1.42 0
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194953 78612690 1 N2O4H18C19 A2B4C18D19 -84.72 4.8 -9.29 -0.8 0
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194954 78613041 1 ClO2N3H14C15 AB2C3D14E15 -14.38 1.56 -8.92 -0.98 0
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194955 78613054 1 F2N3O4C17H17 A2B3C4D17E17 -187.6 5.15 -9.21 -0.93 0
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194956 78613067 1 SN2O5C19H28 AB2C5D19E28 -199.93 6.75 -9.45 -1.46 0
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194957 78613068 1 O2N3C15H15 A2B3C15D15 -4.71 1.37 -8.86 -0.76 0
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194958 78613286 1 N3O4C23H25 A3B4C23D25 -110.2 2.83 -8.65 -0.43 0
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194959 78613571 1 O2S2F3N4C14H15 A2B2C3D4E14F15 -177.2 3.56 -8.82 -1.35 0
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194960 78613572 1 O2S2F3N3C14H14 A2B2C3D3E14F14 -171.34 6.24 -8.42 -0.93 0
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194961 78613603 1 BrN3O5H14C16 AB3C5D14E16 -106.63 2.48 -9.09 -1.01 0
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194962 78613604 1 N4O4H16C19 A4B4C16D19 -53.67 5.15 -9.16 -1.28 0
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194963 78613605 1 Cl2N3O4H15C18 A2B3C4D15E18 -103.9 3.49 -9.14 -1.09 0
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194964 78613606 1 ClN3O4H18C19 AB3C4D18E19 -104.81 2.78 -9.12 -0.6 1
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194965 78613787 1 BrSO2N3C14H19 ABC2D3E14F19 -4.01 2.92 0.0 0.0 0
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194966 78614085 1 N3O3C20H23 A3B3C20D23 -86.22 1.9 -8.62 -0.63 1
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194967 78614302 1 SN3O3C22H22 AB3C3D22E22 31.24 13.95 0.0 0.0 1
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194968 78614439 1 O3N4C22H33 A3B4C22D33 -95.09 2.85 0.0 0.0 0
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194969 78614440 1 O3N4C22H32 A3B4C22D32 -119.03 2.71 -8.68 0.24 1
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194970 78614441 1 SO2N3C18H18 AB2C3D18E18 33.46 11.34 0.0 0.0 1
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194971 78614751 3 NOC8H10 ABC8D10 -26.57 6.47 0.0 0.0 1
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194972 78615007 1 O2N3C25H30 A2B3C25D30 -4.02 14.16 0.0 0.0 1
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194973 78615249 1 SO2N3C21H22 AB2C3D21E22 35.39 12.55 0.0 0.0 -1
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194974 78615284 1 N2O6H21C22 A2B6C21D22 -144.15 4.34 0.0 0.0 0
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194975 78615367 1 SO2N4H20C21 AB2C4D20E21 48.44 8.34 -8.63 -1.57 1
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194976 78616346 1 N2O3C24H27 A2B3C24D27 -43.03 5.29 0.0 0.0 1
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194977 78616347 1 SN3O4C16H24 AB3C4D16E24 -108.11 8.87 0.0 0.0 0
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194978 78616425 2 NO2C9H14 AB2C9D14 -200.94 3.72 -9.14 -0.07 0
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194979 78616426 2 NO2C11H14 AB2C11D14 -172.95 3.74 -9.04 0.0 0
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194980 78616713 1 SO3N4C14H14 AB3C4D14E14 53.62 6.2 -8.85 -1.85 0
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194981 78617018 1 ClF2O2N4H13C16 AB2C2D4E13F16 -76.85 4.61 -8.83 -1.18 0
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194982 78617105 1 BrFO2N3H15C16 ABC2D3E15F16 -35.51 5.31 -8.66 -0.83 0
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194983 78617153 1 F2N3O4C18H19 A2B3C4D18E19 -176.14 2.99 -8.64 -0.65 1
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194984 78617154 1 O3N4C24H33 A3B4C24D33 -44.48 5.06 0.0 0.0 0
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194985 78617331 1 OF3N3H14C15 AB3C3D14E15 -119.6 3.03 -8.98 -0.94 -1
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194986 78617393 1 N3O4H16C17 A3B4C16D17 5.2 10.02 0.0 0.0 0
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194987 78617511 1 OCl2N3H15C16 AB2C3D15E16 14.75 1.73 -8.85 -0.69 0
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194988 78617622 1 ClN3O3C19H22 AB3C3D19E22 -55.11 7.59 -8.41 -0.64 0
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194989 78618009 1 SN4O4H14C16 AB4C4D14E16 21.23 8.29 -8.82 -1.85 1
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194990 78618072 1 SF2N5C21H26 AB2C5D21E26 27.31 8.0 0.0 0.0 0
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194991 78618073 1 SF2N5C21H25 AB2C5D21E25 3.72 5.59 -8.36 -0.55 -1
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194992 78618126 1 FSN3O3H13C16 ABC3D3E13F16 -4.96 4.18 0.0 0.0 0
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194993 78618127 1 FSN3O3H14C16 ABC3D3E14F16 -68.73 10.11 -8.96 -1.05 0
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194994 78618278 1 BrSO2N3C13H16 ABC2D3E13F16 17.3 5.01 -8.34 -0.7 0