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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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214395 84981851 2 NO2C10H11 AB2C10D11 -91.14 1.54 -8.89 -0.74 0
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214396 84981871 1 N2S2O5C14H20 A2B2C5D14E20 -193.44 5.63 -9.48 -0.94 0
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214397 84981888 1 FCl2N2O2H11C16 AB2C2D2E11F16 -57.87 2.67 -9.2 -1.11 0
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214398 84981893 1 ClN2S2O4C13H15 AB2C2D4E13F15 -137.08 6.64 -9.49 -1.0 0
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214399 84981898 1 O3N4H22C23 A3B4C22D23 -16.67 2.29 -9.37 -1.09 0
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214400 84981917 1 SN3O4C16H21 AB3C4D16E21 -83.39 6.59 -8.46 -1.11 0
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214401 84981932 1 SN3O4C17H23 AB3C4D17E23 -93.92 10.8 -8.38 -1.17 0
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214402 84981941 1 SO3N6C16H22 AB3C6D16E22 -45.74 8.17 -9.2 -1.12 0
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214403 84981958 1 ClN2S2O5C13H17 AB2C2D5E13F17 -199.25 1.62 -9.09 -1.18 0
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214404 84981962 1 N3O4H21C24 A3B4C21D24 -94.72 1.92 -9.24 -1.42 0
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214405 84981979 1 S2N3O4C17H21 A2B3C4D17E21 -148.76 3.47 -9.28 -1.04 0
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214406 84981980 1 S2N3O4C18H23 A2B3C4D18E23 -143.75 6.85 -9.03 -0.8 0
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214407 84981988 1 SO2N3C23H27 AB2C3D23E27 -51.73 3.22 -8.77 -0.94 0
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214408 84981989 1 SO3N4C18H24 AB3C4D18E24 -121.86 2.05 -9.22 -0.97 0
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214409 84981991 1 SO2N5H19C22 AB2C5D19E22 56.9 8.64 -8.86 -1.9 0
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214410 84981993 1 ClSO2N3C21H22 ABC2D3E21F22 -51.45 0.94 -9.21 -0.96 0
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214411 84981995 1 ClOSN5C19H20 ABCD5E19F20 58.87 1.57 -9.24 -1.32 0
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214412 84981998 1 ClOSN5C19H20 ABCD5E19F20 56.8 2.33 -8.66 -1.38 0
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214413 84982000 1 S2N3O5H13C15 A2B3C5D13E15 -108.93 7.15 -9.1 -1.74 0
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214414 84982002 1 SN4O5C18H22 AB4C5D18E22 -201.45 8.4 -9.04 -1.34 0
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214415 84982004 1 SN3O5C19H19 AB3C5D19E19 -159.43 6.72 -9.16 -1.45 0
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214416 84982005 1 SN3O4C21H29 AB3C4D21E29 -180.83 7.14 -9.2 -1.49 2
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214417 84982008 1 O2F3N3C21H28 A2B3C3D21E28 -216.41 6.65 -8.96 -0.25 0
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214418 84982009 1 O2F3N3C21H26 A2B3C3D21E26 -231.77 3.25 -8.92 -0.42 0
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214419 84982010 1 SO2N5C22H25 AB2C5D22E25 -4.69 7.59 -8.81 -0.67 2
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214420 84982011 1 O2F3N3C21H26 A2B3C3D21E26 -132.36 3.95 -6.02 -0.73 1
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214421 84982014 1 S2N6C20H21 A2B6C20D21 152.53 5.88 0.0 0.0 0
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214422 84982015 2 SN3C10H10 AB3C10D10 153.79 2.28 -8.6 -0.7 1
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214423 84982016 1 SO2N3H20C21 AB2C3D20E21 29.69 10.54 0.0 0.0 1
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214424 84982018 1 SO2N3H20C21 AB2C3D20E21 5.32 4.25 0.0 0.0 1
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214425 84982019 1 S2N4C17H21 A2B4C17D21 89.46 4.36 0.0 0.0 0
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214426 84982022 1 O3N4C23H32 A3B4C23D32 -125.59 4.98 -8.77 0.08 0
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214427 84982045 1 N2O3C24H24 A2B3C24D24 -53.17 2.14 -9.2 -1.48 0
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214428 84982048 1 S3N5C19H19 A3B5C19D19 137.25 8.31 -8.33 -1.48 0
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214429 84982053 1 OCl2N2C17H18 AB2C2D17E18 -25.96 5.35 -9.07 -0.37 1
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214430 84982057 1 ClON3C17H17 ABC3D17E17 43.24 3.85 0.0 0.0 1
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214431 84982062 1 BrClON2C16H17 ABCD2E16F17 11.28 4.6 0.0 0.0 1
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214432 84982094 1 S3N4C16H19 A3B4C16D19 98.5 3.36 0.0 0.0 0
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214433 84982102 1 BrClFON2H15C16 ABCDE2F15G16 -54.0 2.9 -9.09 -0.59 0
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214434 84982108 1 FOCl2N2H15C16 ABC2D2E15F16 -67.0 2.73 -9.04 -0.54 0
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214435 84982112 1 ClOF2N2H15C16 ABC2D2E15F16 -97.63 3.77 -9.4 -0.48 0
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214436 84982116 1 N3O4C20H23 A3B4C20D23 -77.38 1.81 -8.4 -0.91 1
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214437 84982117 1 S3N5C18H22 A3B5C18D22 130.39 4.84 0.0 0.0 0
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214438 84982119 1 ClSN2O5C18H21 ABC2D5E18F21 -163.54 8.46 -9.24 -1.34 1
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214439 84982126 1 ClON3C17H17 ABC3D17E17 40.8 5.94 0.0 0.0 1
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214440 84982139 1 SO2N3C23H24 AB2C3D23E24 19.38 11.57 0.0 0.0 0
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214441 84982141 1 N3O5C22H23 A3B5C22D23 -143.11 1.71 -9.13 -1.39 0
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214442 84986991 1 SO2N4H16C20 AB2C4D16E20 46.72 2.78 -9.11 -0.78 0
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214443 85083042 2 O2C18H19 A2B18C19 -87.7 2.91 -8.28 -0.07 0
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214444 85083046 1 SO4N6C26H42 AB4C6D26E42 -192.48 5.25 -9.12 -0.29 0