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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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39478 8140939 1 BrN2O2H19C20 AB2C2D19E20 -13.46 5.35 -9.17 -0.8 0
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39479 8140944 1 BrN2O3C16H23 AB2C3D16E23 -129.61 2.88 -8.94 -0.16 0
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39480 8140952 1 ClN2O2F3H14C17 AB2C2D3E14F17 -207.27 3.85 -8.95 -1.27 0
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39481 8140953 1 ClN2O2C19H21 AB2C2D19E21 -65.76 6.95 -8.76 -0.44 0
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39482 8140954 1 ClN2O3C18H19 AB2C3D18E19 -96.19 6.79 -8.75 -0.47 0
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39483 8140960 1 ClN2O2C18H19 AB2C2D18E19 -64.53 6.87 -8.76 -0.38 0
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39484 8140974 1 ClN2O4C20H23 AB2C4D20E23 -134.63 7.17 -8.74 -0.4 0
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39485 8140975 1 BrClN2O2H16C17 ABC2D2E16F17 -50.41 5.36 -8.86 -0.41 0
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39486 8140976 1 FCl2N2O2H13C16 AB2C2D2E13F16 -101.97 5.67 -8.84 -1.08 0
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39487 8140980 1 ClN2O4H17C18 AB2C4D17E18 -119.63 7.16 -8.76 -0.61 0
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39488 8140982 1 ClN2O3C16H17 AB2C3D16E17 -100.61 6.59 -8.75 -0.23 0
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39489 8140985 1 Cl2N2O3H16C17 A2B2C3D16E17 -90.32 6.84 -8.79 -0.49 0
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39490 8140988 1 BrClN2O3H16C17 ABC2D3E16F17 -82.81 3.78 -8.91 -0.46 0
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39491 8140990 1 ClN3O4H18C20 AB3C4D18E20 -118.61 7.06 -8.77 -1.56 0
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39492 8140992 1 ClSO2N3H14C17 ABC2D3E14F17 -16.84 5.71 -8.87 -1.43 0
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39493 8140993 1 ClSN3O4H12C14 ABC3D4E12F14 -43.68 5.44 -9.0 -2.3 0
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39494 8140995 1 ClN3O5H18C19 AB3C5D18E19 -151.21 3.39 -8.95 -0.83 0
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39495 8140999 1 ClN2O3C20H23 AB2C3D20E23 -106.54 7.1 -8.74 -0.31 0
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39496 8141000 1 ClN2O4C21H25 AB2C4D21E25 -140.57 8.14 -8.74 -0.47 0
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39497 8141009 1 SN2O5C19H26 AB2C5D19E26 -214.01 8.31 -8.82 -0.66 0
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39498 8141010 1 ClFN2O2H16C17 ABC2D2E16F17 -100.71 4.84 -8.85 -0.36 0
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39499 8141012 1 Cl2N2O3H16C17 A2B2C3D16E17 -95.4 5.4 -8.8 -0.86 0
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39500 8141041 1 Cl2N2O3H14C18 A2B2C3D14E18 -87.23 7.15 -9.66 -1.76 0
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39501 8141044 1 NCl2O3C17H17 AB2C3D17E17 -95.83 4.83 -8.74 -0.48 0
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39502 8141059 1 NCl2O2C17H17 AB2C2D17E17 -65.81 4.13 -9.25 -0.49 0
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39503 8141061 1 NCl2O2C17H17 AB2C2D17E17 -68.87 4.22 -9.14 -0.58 0
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39504 8141066 1 Cl2N2O3C19H20 A2B2C3D19E20 -110.86 3.44 -9.24 -0.64 0
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39505 8141069 1 Cl2N2O5H16C17 A2B2C5D16E17 -97.29 7.88 -9.46 -1.59 0
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39506 8141077 1 O2S2F3N4C14H15 A2B2C3D4E14F15 -176.12 4.51 -9.13 -1.56 0
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39507 8141083 1 ClO2F3N3H17C18 AB2C3D3E17F18 -200.43 6.23 -9.06 -1.1 1
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39508 8141084 1 ClO2F3N3C18H18 AB2C3D3E18F18 -202.96 7.68 0.0 0.0 0
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39509 8141085 1 ClO2F3N3H17C18 AB2C3D3E17F18 -203.15 4.57 -9.06 -1.3 0
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39510 8141087 1 ClNO4C18H20 ABC4D18E20 -114.16 3.56 -8.74 -0.25 0
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39511 8141088 1 ClNO3C17H18 ABC3D17E18 -78.17 5.5 -8.71 -0.25 0
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39512 8141089 1 ClNO3C17H18 ABC3D17E18 -86.7 4.59 -9.08 -0.04 0
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39513 8141094 1 ClNO2C16H16 ABC2D16E16 -59.27 2.77 -8.93 -0.44 0
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39514 8141109 1 N2O3C20H22 A2B3C20D22 -72.71 6.11 -9.17 -0.33 0
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39515 8141117 1 ClSN2O2C20H21 ABC2D2E20F21 -46.31 1.8 -8.98 -0.65 0
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39516 8141129 1 SN2F3O3H11C18 AB2C3D3E11F18 -181.27 0.64 -8.52 -1.58 0
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39517 8141131 1 SN2O3C21H22 AB2C3D21E22 -69.18 4.36 -8.47 -0.73 0
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39518 8141132 1 SN2O4H16C19 AB2C4D16E19 -70.36 6.7 -8.32 -0.77 0
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39519 8141136 1 SN2O3H16C19 AB2C3D16E19 -39.52 4.81 -8.4 -0.73 0
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39520 8141139 1 BrSN3O3H10C16 ABC3D3E10F16 -0.94 3.6 -8.76 -1.26 0
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39521 8141148 1 SN3O5H13C18 AB3C5D13E18 -24.71 4.85 -8.71 -1.7 0
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39522 8141165 1 SN2O5H18C21 AB2C5D18E21 -99.53 7.02 -8.94 -1.24 0
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39523 8141186 1 SN2O4H14C18 AB2C4D14E18 -69.14 4.64 -8.59 -1.06 0
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39524 8141187 1 SN2O5H18C20 AB2C5D18E20 -93.59 4.75 -8.46 -0.77 0
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39525 8141188 1 FN2S2O3H13C18 AB2C2D3E13F18 -67.87 0.55 -8.77 -0.98 0
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39526 8141189 1 SN2F3O4H11C18 AB2C3D4E11F18 -224.11 2.27 -8.49 -1.29 0
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39527 8141190 1 SCl2N2O3H10C17 AB2C2D3E10F17 -28.48 3.35 -8.6 -1.27 0
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39528 8141192 1 N2F3O3H13C19 A2B3C3D13E19 -199.11 7.4 -9.15 -1.28 0
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39529 8141194 1 N2F3O3H15C17 A2B3C3D15E17 -214.27 8.82 -9.13 -0.56 0
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39530 8141196 1 SN2O2F3H9C13 AB2C2D3E9F13 -163.19 6.36 -9.24 -1.23 0
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39531 8141197 1 N2F3O4H15C17 A2B3C4D15E17 -256.06 8.08 -9.08 -0.58 0
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39532 8141198 1 N2O2F3H15C17 A2B2C3D15E17 -187.21 7.21 -9.27 -0.64 0
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39533 8141200 1 N2F3O3H15C20 A2B3C3D15E20 -193.41 8.84 -9.09 -1.22 0
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39534 8141209 1 F3N3O4H14C19 A3B3C4D14E19 -243.65 7.95 -9.15 -1.87 0
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39535 8141228 1 SF2N2O3H12C18 AB2C2D3E12F18 -116.0 3.65 -9.02 -1.0 0
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39536 8141235 1 SF2N3O3H13C18 AB2C3D3E13F18 -64.23 5.12 -8.99 -1.78 0
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39537 8141243 1 SF2N2O3H18C20 AB2C2D3E18F20 -133.02 6.54 -8.92 -0.79 0
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39538 8141244 1 SF2N2O3H18C21 AB2C2D3E18F21 -135.37 5.58 -9.33 -1.19 0
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39539 8141251 1 SF2O2N3H15C21 AB2C2D3E15F21 -38.38 5.48 -9.02 -0.89 0
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39540 8141255 1 OF2N2S2H14C18 AB2C2D2E14F18 -51.16 4.87 -9.03 -0.86 0
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39541 8141271 1 FSN3O3H14C18 ABC3D3E14F18 -23.59 5.17 -9.11 -1.36 0
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39542 8141272 1 FSO2N3H16C19 ABC2D3E16F19 -57.24 8.95 -8.7 -0.76 0
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39543 8141275 1 FSN3O3H18C20 ABC3D3E18F20 -85.1 9.08 -8.95 -1.25 0
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39544 8141280 1 SF2O2N3H15C19 AB2C2D3E15F19 -99.31 4.49 -9.04 -1.08 0
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39545 8141285 1 FSO2N3H18C21 ABC2D3E18F21 -54.71 7.61 -8.73 -0.67 0
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39546 8141289 1 FON2S2H15C18 ABC2D2E15F18 -7.37 6.06 -8.86 -0.8 0
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39547 8141290 1 FSN2O3H19C20 ABC2D3E19F20 -88.82 8.66 -8.8 -0.6 0
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39548 8141291 1 ClSN2O4H19C20 ABC2D4E19F20 -82.47 8.6 -8.71 -0.65 0
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39549 8141294 1 ClSN2O3H17C19 ABC2D3E17F19 -53.76 8.72 -8.48 -1.01 0
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39550 8141301 1 ClON2S2H15C18 ABC2D2E15F18 21.5 5.53 -8.69 -0.93 0
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39551 8141307 1 O2S2N3C20H21 A2B2C3D20E21 -18.86 2.42 -8.81 -0.76 0
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39552 8141313 1 SO2N3H15C18 AB2C3D15E18 14.31 5.14 -8.43 -0.9 0